@TOME V2.3
(Nov 2016)
Ref.
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Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
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Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : bsu03490: (2016-06-06 )
MSKKSIQKVYALTPMQEGMLYHAMLDPHSSSYFTQLELGIHGAFDLEIFEKSVNELIRSYDILRTVFVHQQLQKPRQVVLAERKTKVHYEDISHADENRQKEHIERYKQDVQRQGFNLAKDILFKVAVFRLAADQLYLVWSNHHIMMDGWSMGVLMKSLFQNYEALRAGRTPANGQGKPYSDYIKWLGKQDNEEAESYWSERLAGFEQPSVLPGRLPVKKDEYVNKEYSFTWDETLVARIQQTANLHQVTGPNLFQAVWGIVLSKYNFTDDVIFGTVVSGRPSEINGIETMAGLFINTIPVRVKVERDAAFADIFTAVQQHAVEAERYDYVPLYEIQKRSALDGNLLNHLVAFENYPLDQELENGSMEDRLGFSIKVESAFEQTSFDFNLIVYPGKTWTVKIKYNGAAFDSAFIERTAEHLTRMMEAAVDQPAAFVREYGLVGDEEQRQIVEVFNSTKAELPEGMAVHQVFEEQAKRTPASTAVVYEGTKLTYRELNAAANRLARKLVEHGLQKGETAAIMNDRSVETVVGMLAVLKAGAAYVPLDPALPGDRLRFMAEDSSVRMVLIGNSYTGQAHQLQVPVLTLDIGFEESEAADNLNLPSAPSDLAYIMYTSGSTGKPKGVMIEHKSILRLVKNAGYVPVTEEDRMAQTGAVSFDAGTFEVFGALLNGAALYPVKKETLLDAKQFAAFLREQSITTMWLTSPLFNQLAAKDAGMFGTLRHLIIGGDALVPHIVSKVKQASPSLSLWNGYGPTENTTFSTSFLIDREYGGSIPIGKPIGNSTAYIMDEQQCLQPIGAPGELCVGGIGVARGYVNLPELTEKQFLEDPFRPGERIYRTGDLARWLPDGNIEFLGRIDNQVKVRGFRIELGEIETKLNMAEHVTEAAVIIRKNKADENEICAYFTADREVAVSELRKTLSQSLPDYMVPAHLIQMDSLPLTPNGKINKKELPAPQSEAVQPEYAAPKTESEKKLAEIWEGILGVKAGVTDNFFMIGGHSLKAMMMTAKIQEHFHKEVPIKVLFEKPTIQELALYLEENESKEEQTFEPIRQASYQQHYPVSPAQRRMYILNQLGQANTSYNVPAVLLLEGEVDKDRLENAIQQLINRHEILRTSFDMIDGEVVQTVHKNISFQLEAAKGREEDAEEIIKAFVQPFELNRAPLVRSKLVQLEEKRHLLLIDMHHIITDGSSTGILIGDLAKIYQGADLELPQIHYKDYAVWHKEQTNYQKDEEYWLDVFKGELPILDLPADFERPAERSFAGERVMFGLDKQITAQIKSLMAETDTTMYMFLLAAFNVLLSKYASQDDIIVGSPTAGRTHPDLQGVPGMFVNTVALRTAPAGDKTFAQFLEEVKTASLQAFEHQSYPLEELIEKLPLTRDTSRSPLFSVMFNMQNMEIPSLRLGDLKISSYSMLHHVAKFDLSLEAVEREEDIGLSFDYATALFKDETIRRWSRHFVNIIKAAAANPNVRLSDVDLLSSAETAALLEERHMTQITEATFAALFEKQAQQTPDHSAVKAGGNLLTYRELDEQANQLAHHLRAQGAGNEDIVAIVMDRSAEVMVSILGVMKAGAAFLPIDPDTPEERIRYSLEDSGAKFAVVNERNMTAIGQYEGIIVSLDDGKWRNESKERPSSISGSRNLAYVIYTSGTTGKPKGVQIEHRNLTNYVSWFSEEAGLTENDKTVLLSSYAFDLGYTSMFPVLLGGGELHIVQKETYTAPDEIAHYIKEHGITYIKLTPSLFHTIVNTASFAKDANFESLRLIVLGGEKIIPTDVIAFRKMYGHTEFINHYGPTEATIGAIAGRVDLYEPDAFAKRPTIGRPIANAGALVLNEALKLVPPGASGQLYITGQGLARGYLNRPQLTAERFVENPYSPGSLMYKTGDVVRRLSDGTLAFIGRADDQVKIRGYRIEPKEIETVMLSLSGIQEAVVLAVSEGGLQELCAYYTSDQDIEKAELRYQLSLTLPSHMIPAFFVQVDAIPLTANGKTDRNALPKPNAAQSGGKALAAPETALEESLCRIWQKTLGIEAIGIDDNFFDLGGHSLKGMMLIANIQAELEKSVPLKALFEQPTVRQLAAYMEASAVSGGHQVLKPADKQDMYPLSSAQKRMYVLNQLDRQTISYNMPSVLLMEGELDISRLRDSLNQLVNRHESLRTSFMEANGEPVQRIIEKAEVDLHVFEAKEDEADQKIKEFIRPFDLNDAPLIRAALLRIEAKKHLLLLDMHHIIADGVSRGIFVKELALLYKGEQLPEPTLHYKDFAVWQNEAEQKERMKEHEAYWMSVLSGELPELDLPLDYARPPVQSFKGDTIRFRTGSETAKAVEKLLAETGTTLHMVLHAVFHVFLSKISGQRDIVIGSVTAGRTNADVQDMPGMFVNTLALRMEAKEQQTFAELLELAKQTNLSALEHQEYPFEDLVNQLDLPRDMSRNPLFNVMVTTENPDKEQLTLQNLSISPYEAHQGTSKFDLTLGGFTDENGIGLQLEYATDLFAKETAEKWSEYVLRLLKAVADNPNQPLSSLLLVTETEKQALLEAWKGKALPVPTDKTVHQLFEETVQRHKDRPAVTYNGQSWTYGELNAKANRLARILMDCGISPDDRVGVLTKPSLEMSAAVLGVLKAGAAFVPIDPDYPDQRIEYILQDSGAKLLLKQEGISVPDSYTGDVILLDGSRTILSLPLDENDEGNPETAVTAENLAYMIYTSGTTGQPKGVMVEHHALVNLCFWHHDAFSMTAEDRSAKYAGFGFDASIWEMFPTWTIGAELHVIDEAIRLDIVRLNDYFETNGVTITFLPTQLAEQFMELENTSLRVLLTGGDKLKRAVKKPYTLVNNYGPTENTVVATSAEIHPEEGSLSIGRAIANTRVYILGEGNQVQPEGVAGELCVAGRGLARGYLNREDETAKRFVADPFVPGERMYRTGDLVKWVNGGIEYIGRIDQQVKVRGYRIELSEIEVQLAQLSEVQDAAVTAVKDKGGNTAIAAYVTPETADIEALKSTLKETLPDYMIPAFWVTLNELPVTANGKVDRKALPEPDIEAGSGEYKAPTTDMEELLAGIWQDVLGMSEVGVTDNFFSLGGDSIKGIQMASRLNQHGWKLEMKDLFQHPTIEELTQYVERAEGKQADQGPVEGEVILTPIQRWFFEKNFTNKHHWNQSVMLHAKKGFDPERVEKTLQALIEHHDALRMVYREENGDIVQVYKPIGESKVSFEIVDLYGSDEEMLRSQIKLLANKLQSSLDLRNGPLLKAEQYRTEAGDHLLIAVHHLVVDGVSWRILLEDFASGYMQAEKEESLVFPQKTNSFKDWAEELAAFSQSAHLLQQAEYWSQIAAEQVSPLPKDCETEQRIVKDTSSVLCELTAEDTKHLLTDVHQPYGTEINDILLSALGLTMKEWTKGAKIGINLEGHGREDIIPNVNISRTVGWFTAQYPVVLDISDADASAVIKTVKENLRRIPDKGVGYGILRYFTETAETKGFTPEISFNYLGQFDSEVKTDFFEPSAFDMGRQVSGESEALYALSFSGMIRNGRFVLSCSYNEKEFERATVEEQMERFKENLLMLIRHCTEKEDKEFTPSDFSAEDLEMDEMGDIFDMLEENLK
Atome Classification :
(24 SA)
.........10........20........30........40........50........60........70........80........90........100.......110.......120.......130.......140.......150.......160.......170.......180.......190.......200.......210.......220.......230.......240.......250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380.......390.......400.......410.......420.......430.......440.......450.......460.......470.......480.......490.......500.......510.......520.......530.......540.......550.......560.......570.......580.........----590--.----......600.....-..610.......620.......630..-....-.640.......650.......660.......670.......680.......690.......700...----....710.......720.......-730.......-.740.......750.......760----....--..--.-770.-......780........790.........800.......810.......820.......830..--.....840.......850.......860.......870.......880.......890.......900...--....910.......920.......930.......940.......950...-....960.......970.......980...-.-...990.......1000......1010......1020......1030......1040......1050......1060......1070......1080......1090.-.....1100.---.....1110......1120......1130..-....1140---..------.-..-...1150---.......-.1160.......1170......1180......1190......1200---...----..--.---.1210.....------.1220.---.....1230---.......1240......1250-.......1260...--...1270......1280......1290......1300......1310......1320......1330......1340......1350......1360......1370......1380----.....-.1390----------..----......1400------------..-......1410......1420.-...-.-.1430......1440......1450......1460......1470......1480...--...1490-.--......1500......1510......1520......1530......1540......1550......1560......1570......1580......1590......1600......1610....---...1620......1630......1640......1650......1660......1670......1680......1690......1700......1710......1720......1730......1740.--.....-1750......1760......1770......1780..-....1790......1800...-...1810..--------....1820......1830......1840......1850......1860......1870..-.....1880......1890......1900......1910......1920.....-------.1930------.-......1940.....--.1950......1960......1970......1980......1990.-.....2000......2010......2020......2030......2040......2050......2060......2070......2080......2090......2100......2110......2120......2130-......2140......2150.....-.2160......2170.-.....2180----...-......2190....-..2200......2210......2220......2230......2240.----.-----.--...2250......2260......2270......2280......2290......2300......2310......2320......2330......2340......2350......2360........2370......2380......2390......2400......2410......2420......2430......2440------------.--.....2450......2460......-2470.......2480......2490......2500......2510......2520......2530......2540......2550......2560......2570......2580......2590......2600......2610......2620......2630......2640-------....------..2650..---....2660......2670......2680......2690......2700......2710......2720......2730......2740......2750......2760......2770......2780......2790..--------.---...2800......2810.-.-------.-----...2820......2830......------2840.........2850......2860......2870......2880......2890......2900.......2910....-..2920......2930......2940......2950......2960----........2970....-.---..2980......2990......3000......3010......3020........3030......3040......3050......3060......3070......3080.......3090......3100......3110......3120......3130......3140......3150......3160......3170......3180......3190......3200......3210......3220......3230......3240......3250......3260......3270......3280......3290......3300......3310......3320......3330......3340......3350......3360......3370......3380......3390......3400......3410......3420......3430......3440......3450......3460......3470......3480......3490......3500......3510......3520......3530......3540......3550......3560......3570......3580
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MS
K
K
S
I
Q
K
V
Y
A
LTPMQEG
M
L
Y
H
A
MLDPHSSS
Y
F
T
Q
L
E
L
GIHGA
F
D
L
E
I
F
E
K
S
V
N
E
L
I
R
S
Y
D
I
L
R
T
V
F
V
H
Q
Q
LQK
P
R
Q
V
V
L
A
ERKT
K
V
H
Y
E
DISHA
D
E
N
R
Q
K
E
H
I
E
R
Y
K
Q
D
V
Q
RQG
F
N
L
A
K
D
I
L
F
K
V
A
V
F
R
LAA
D
Q
L
Y
L
V
WSN
H
H
I
M
MDGW
S
M
G
V
L
M
K
S
L
F
Q
N
Y
E
A
L
RAGRTPANGQGK
P
Y
S
D
Y
I
K
W
LGKQD
N
E
E
A
E
S
Y
W
S
E
R
LAGFEQPSVLPGRLPVK
K
D
EYVNKEYSF
T
W
D
E
T
L
V
A
R
I
Q
Q
T
ANLHQVTG
P
N
L
F
Q
A
V
W
G
I
V
L
SKYNFTDD
V
I
F
G
T
VVSGRPSEIN
G
I
E
T
M
A
G
L
F
I
NT
I
P
V
R
V
K
V
ERD
A
A
F
A
D
I
F
T
A
V
Q
Q
H
A
V
E
A
E
RYDYV
P
L
Y
E
I
Q
K
RSAL
D
G
N
L
L
N
H
L
V
A
FENYPL
D
Q
E
LENGSMEDRL
G
F
S
I
K
V
ESAFEQTSF
D
F
N
L
I
V
YPGK
T
W
T
V
K
I
K
YNGAAF
D
S
A
F
I
E
R
T
A
E
H
L
T
R
M
M
E
A
AVD
Q
P
A
A
F
V
R
E
YGLVG
D
E
E
Q
R
Q
I
V
E
V
F
N
S
T
K
A
ELPE
G
M
A
V
H
Q
V
F
E
E
Q
A
KRTPA
S
T
A
V
V
YEG
T
K
L
T
Y
R
E
L
N
A
A
A
N
R
L
A
R
K
L
V
E
HGLQKGE
T
A
A
IMNDR
S
V
E
T
V
V
G
M
L
A
V
L
KAG
A
A
YVPLDPALPG
D
R
L
R
F
M
AEDS
S
V
R
M
V
L
I
GNSYTGQ
A
H
Q
L
Q
--
V
P
V
L
T
L
DIG----FEE--S----EAADNLNLPSAPS
D
-
L
A
Y
I
M
YTSGSTGKPK
G
V
M
I
E
H
K
S
I
L
R
L
-
V
KNA-GYVPVTEEDRMAQTG
A
V
SFDA
G
T
F
E
V
F
G
A
L
LNG
A
A
LYP
V
K
K
E
T
LL
D
A
K
Q
F
A
A
F
L
R
EQS
I
T
T
M
W
L
T
S
P
----
L
F
N
Q
L
A
A
KDA
G
M
F
G
T
L
R
H
L
IIGG
D
-
A
L
-
V
P
H
I
V
S
K
-
V
K
QASPSLSLWNGYGPTEN
T
T
F
S
T
----
S
F
L
I
--DR--E-YGGS-IPIGKPIG-NS
T
A
Y
I
M
D
E
--
Q
Q
C
L
QPIGAPGE
L
C
VG
G
I
G
VARGYVNL
P
E
L
T
E
K
Q
F
LEDPFRPGE--
R
I
YRTG
D
L
A
RWLPDGN
I
E
F
L
GRID
N
Q
V
K
V
R
G
F
R
I
E
LG
E
I
E
T
K
L
N
M
A
E
H
V
T
E
A
A
V
I
I
RKNKADEN
E
I
C
A
Y
FT--AD
R
E
V
A
V
S
E
L
R
K
T
L
S
Q
SL
P
D
Y
M
V
P
A
H
L
IQMDSLPLTPNGKINKKELPAPQ-SEAVQPEYAAPKT
E
S
E
K
K
L
A
E
I
W
E
G
I
LGVK-A-GVTD
N
F
F
M
IGG
H
S
L
K
A
M
M
M
T
A
K
I
Q
E
H
F
HKEV
P
I
K
V
L
FEKP
T
I
Q
E
L
A
L
Y
L
EENES
K
E
E
Q
T
F
E
P
I
R
Q
ASYQQHYPV
S
P
A
Q
R
R
M
Y
I
L
N
QLGQANTSYNV
P
A
V
L
L
LEGEV
D
K
-
D
R
L
E
N
A
I
Q
Q
L
---
I
N
R
H
E
I
L
R
T
S
F
DMI
D
G
E
V
V
Q
T
V
HKN
I
S
F
Q
L
E
-AAKGR
E
-----
E
D
------
A
-
E
E
-
I
I
K
A
-
F
----
V
Q
P
FELN-RA-
P
L
V
R
S
K
L
V
Q
L
E
EKR
H
L
L
L
I
D
M
H
H
IITDGSST
G
I
L
I
G
D
L
A
K
IY----QGA----DL--E---LP
Q
I
H
YKD
Y
A
------
V
W
HKEQ---TNYQ
K
D
E
E
----
Y
W
L
D
V
FKGEL
P
I
LDLPADFE--RP
A
E
RSFAGE
R
V
M
F--GL
D
K
Q
I
T
A
Q
I
K
S
L
M
A
ETD
T
T
M
Y
M
F
L
L
A
A
F
N
V
L
L
S
K
YASQD
D
I
I
VGSPTAGRTHPDLQGVP
G
M
F
V
N
T
V
A
L
RTAPAG
D
K
T
F
A
Q
F
L
E
E
V
K
T
A
S
L
Q
A
FEHQSY
P
L
E
E
L
I
E
KLPLTRDTSRS----
P
L
F
S
V
-
M
F
N------------MQ----NMEIP
S
L
R--------------LG-
D
L
K
I
S
S
Y
S
M
L
H
H
V
A
K
FDL
S
L
E
-
A
VE-R-EEDIGL
S
F
D
Y
A
T
A
LF
K
D
E
T
I
R
R
W
S
R
H
F
V
N
I
I
K
A
AAANPN
V
R
L
S
D
V
D
LLSS
A
E
T
A
A
L
L
E
--
E
R
H
M
T
Q
--
I
--
T
E
A
T
F
A
A
L
F
E
K
Q
A
QQTPD
H
S
A
V
KAGG
N
L
L
T
Y
R
E
L
D
E
Q
A
N
Q
L
A
H
H
L
R
AQGAGNE
D
I
V
A
I
V
MDR
S
A
E
V
M
V
S
I
L
G
V
M
KAG
A
A
F
LPIDPDT
P
E
E
R
I
R
Y
SLEDSG
A
K
F
A
V
V
NERN
M
T
A
IGQYE
G
-
I
I
V
S---LDDGKWRNESKERPSSISGSR
N
L
A
Y
V
I
Y
TSGTTGKPK
G
V
Q
I
EHR
N
L
T
N
Y
V
S
W
F
S
E
EAGLTEND
K
T
V
L
L
S
S
Y
AFDLG
Y
T
S
M
F
P
V
LLGG
G
E
L
H
I
V
Q
KETYT
A
P
D
E
I
A
H
Y
I
K
EHG
I
T
Y
I
K
L
T
P
S
L
F
H
T
I
V
N
--
T
A
SFA-KDANF
E
S
L
R
L
I
V
LGGEKII
P
T
D
V
I
A
F
R
K
M
YGH
T
E
F
I
-
N
HYGPT
E
A
T
I
G
A
IAGR
V
D
L
YE-P
D
A
FAKRPT--------IGRPIA
N
A
G
A
L
V
L
N
E
A
L
K
LVPPGAS
G
Q
L
Y
I
TGQ
G
L
A
R
GYLNRPQL
T
A
E
R
F
VENPYS-PGS-
L
M
Y
K
T
G
D
V
V
R
RLSDG
T
L
A
F
I
GRAD
D
Q
V
K
I
R
G
Y
R
I
E
P
K
E
I
E
T
V
M
L
S
L
S
G
I
Q
E
A
V
V
-------
L
A
VS-------E-G
G
L
Q
E
L
C
A
Y
YTSDQD--
I
E
K
A
E
L
R
Y
Q
L
S
LTLPSHM
I
P
A
F
F
V
Q
V
D
A
I
P
LTANGKTDRNALPKPN-AAQSGGKALAA
P
E
T
A
L
E
E
S
L
C
R
I
W
Q
K
TLG
I
E
A
IGIDDN
F
F
DLGGHSLK
G
M
M
L
I
A
N
I
Q
A
E
L
E
KSV
P
L
K
A
L
FEQP
T
V
R
Q
L
A
A
Y
M
E
A
S
AVSGGHQVLKPADKQDMYP
L
S
S
A
Q
K
R
M
Y
V
L
N
QLDRQTISYNM
P
S
V
L
L
MEGEL
D
I
-
S
R
L
R
D
S
L
N
Q
L
V
N
R
H
E
S
L
R
T
S
F
M
EAN-
G
E
P
V
Q
R
I
I
E
K
AEV
D
L
H
-
V
F
EAKE-------D
E
A
-
D
Q
K
I
K
E
F
I
R
PFDLN-
D
A
P
L
I
R
A
A
L
L
R
I
EAKK
H
L
L
L
L
D
M
H
H
I
I
A
D
GVSR
G
I
F
V
K
E
L
A
L
L
YKGE----Q-----L--PEPTLH
Y
K
D
F
A
V
W
Q
N
E
A
E
Q
K
E
R
M
K
E
H
E
A
Y
W
M
S
V
L
SGELPELDLPLDYARP
P
V
Q
SFKG
D
T
I
R
F
RTGS
E
T
A
K
A
V
E
K
L
L
A
ETG
T
T
L
H
M
V
L
H
A
V
F
H
V
F
L
S
K
ISGQR
D
I
V
I
G
S
VTAGRTN--A
D
V
Q
DM
P
G
M
F
V
N
T
L
A
L
R
M
E
A
K
E
Q
Q
T
F
A
E
L
L
E
L
A
K
QTNL
S
A
L
EHQEY
P
F
E
D
L
V
N
Q
LDLPRDMSRNP
L
F
N
V
M
V
TTENP
D
K
E
Q
L
T
------------
L
--QNLSISPYEAHQGT
S
K
F
D
L
T
LGGFT-D-EN
G
I
G
L
Q
L
E
YA
T
D
L
F
A
K
E
T
A
E
K
W
S
E
Y
V
L
R
L
L
K
A
V
ADNPNQ
P
L
S
S
L
L
L
V
TE
T
E
K
Q
A
L
L
E
AWKGKALPVPT
D
K
T
V
H
Q
L
F
E
E
T
V
Q
R
HKDR
P
A
V
T
YNGQS
W
T
YGEL
N
A
K
A
N
R
L
A
R
I
L
M
DCGISPDDRV
G
V
L
TKP
S
L
E
M
S
A
A
V
L
G
V
L
KAG
A
A
F
VPIDPDY
P
D
Q
R
I
E
Y
I
L
QDSG
A
K
L
L
L
-------KQEG------ISVPDSYT---G
D
V
I
L
LDGS
R
T
I
L
S
LPLDENDEGNPE
T
A
V
TAE
N
L
A
Y
M
I
Y
TSGTTGQPK
G
V
M
V
E
H
H
A
L
V
N
L
C
F
WHHDAFSMTAEDRSAKYAGFGF
D
A
S
I
W
E
MFPTWTIG
A
E
L
H
V
I
D
E
A
I
R
L
D
I
V
R
LN
D
Y
FETN
G
V
T
I
T
FL
P
T
Q
L
A
E
Q
F
M
E
L--------E---NT
S
L
R
V
L
LTG
G
D
K
L
K
R
A
V
-K-------K-----PY
T
L
VNNYGPTE
N
T
V
V
A
TS
A
E
IH------P---EEGS
L
S
I
G
R
A
IAN
T
R
V
Y
I
L
GEGNQVQPEGVAG
E
L
C
VAG
R
G
L
A
R
G
YLNRE
D
E
T
A
K
R
F
VADPFV-PGERMYRTG
D
L
V
K
W
V
-
N
G
G
I
E
Y
I
G
RID
Q
Q
V
K
V
R
G
Y
R
I
E
L
S
E
I
E
V
Q
L
A
Q
L
S
E
V
Q
D
A
A
V
T
A
V
------KDKGG
N
T
A
I
A
A
-
Y
VTP-E---TA
D
I
E
A
L
K
S
T
L
K
E
TL
P
D
YMI
P
A
F
W
V
T
L
NELPVTANGKVDRKALP--EPDIEAGSGEYKAPTT
D
M
E
E
L
L
A
G
I
W
Q
D
V
LGMSEVGVTD
N
F
F
SLGGDSI
K
G
I
Q
M
A
S
R
L
N
Q-HG
W
K
L
E
M
K
D
L
FQHP
T
I
E
E
L
T
Q
Y
V
E
R
AEGKQADQGPVEG
E
V
I
L
T
P
I
Q
R
W
F
F
EKNFTNKHHWNQ
S
V
M
L
H
AKKGF
D
P
E
R
V
E
K
T
L
Q
A
L
I
E
H
H
D
A
L
R
M
V
Y
REENG
D
I
V
Q
V
YKPIGES
K
V
S
F
E
I
V
DLYGS
D
E
E
M
L
R
S
Q
I
K
L
L
A
N
K
L
Q
S
SLDLRNGPLL
K
A
E
Q
YRTEAG
D
H
L
L
I
A
V
H
H
L
V
VDGV
S
W
R
I
L
L
E
D
F
A
S
G
Y
M
Q
A
EKEESLVFPQKT
N
S
F
K
D
W
A
E
E
L
A
A
F
S
Q
S
A
H
L
L
Q
Q
A
E
Y
W
S
Q
I
A
A
E
QVSPLPKDC
E
T
E
Q
R
I
V
K
D
T
S
S
V
L
C
E
L
T
A
E
D
T
K
H
L
L
T
D
VHQPYGT
E
I
N
D
I
L
L
S
A
LGL
T
M
K
E
WTKG
A
K
I
G
I
N
L
EGHGREDIIPNVNI
S
R
T
V
G
W
FTAQY
P
V
V
L
D
ISDA
D
A
S
A
V
I
K
T
V
K
E
N
L
R
RIPDKGV
G
Y
G
I
L
R
Y
F
T
E
TAETKGFTPE
I
S
F
N
Y
L
GQFD
S
E
V
K
TDFFEP
S
A
F
DMGRQVSGES
E
A
L
Y
A
L
S
FS
G
M
IRN
G
R
F
V
L
S
C
SY
N
E
K
E
F
E
R
A
T
V
E
E
Q
M
E
R
F
K
E
N
L
L
M
L
I
R
H
CTEKEDKEFTPSDFSAEDL
E
M
D
E
M
G
D
I
F
D
M
L
E
ENLK
1
PsiBlast_PDB
63.55
39%
-95
- C1 -
2VSQ
2
SRFAC_BACSU
A:
[4-1125]
F
S
K
D
Q
V
Q
D
M
Y
Y
L
S
P
M
Q
E
G
M
L
F
H
A
I
L
N
P
G
Q
S
F
Y
L
E
Q
I
T
M
K
V
K
G
S
L
N
I
K
C
L
E
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N
V
I
M
D
R
Y
D
V
F
R
T
V
F
I
H
E
K
V
K
R
P
V
Q
V
V
L
K
K
R
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F
H
I
E
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I
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L
T
H
L
T
G
S
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Q
T
A
K
I
N
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K
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D
K
I
R
G
F
D
L
T
R
D
I
P
M
R
A
A
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K
K
A
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E
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F
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W
V
W
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Y
H
H
I
I
L
D
G
W
C
F
G
I
V
V
Q
D
L
F
K
V
Y
N
A
L
R
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P
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P
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P
Y
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D
Y
I
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L
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Y
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T
T
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K
K
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G
Y
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K
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L
L
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P
S
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A
E
T
K
A
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T
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L
A
K
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Q
H
T
T
L
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T
A
L
Q
A
V
W
S
V
L
I
S
R
Y
Q
Q
S
G
D
L
A
F
G
T
V
V
S
G
R
P
A
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I
K
G
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E
H
M
V
G
L
F
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N
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V
P
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R
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A
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P
L
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N
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S
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N
--
G
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D
M
V
D
V
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V
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S
N
Y
D
L
N
L
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A
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L
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K
L
A
Y
N
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N
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D
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A
F
I
L
R
L
K
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Q
L
L
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A
I
Q
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L
I
Q
N
P
D
Q
P
V
S
T
I
N
L
V
D
D
R
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R
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F
L
L
T
G
L
N
P
P
-
A
Q
A
H
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T
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P
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T
Y
W
F
K
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A
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N
A
N
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A
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A
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L
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R
E
L
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A
N
R
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A
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A
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V
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T
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L
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L
V
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G
I
L
G
V
L
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A
G
A
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V
D
P
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L
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R
I
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Y
M
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D
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A
A
A
C
L
L
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M
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A
A
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L
P
--
Y
T
G
T
T
L
F
I
D
DQTR
F
E
E
QA
S
----
D
P
A
T
A
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D
----
P
N
D
-
P
A
Y
I
M
Y
T
S
G
T
T
G
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P
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T
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A
N
I
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G
L
-
V
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-
D
Y
M
A
F
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Q
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N
Y
A
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D
A
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F
Y
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M
L
N
A
A
R
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A
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L
L
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T
E
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L
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D
L
I
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Q
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N
V
N
V
M
F
A
T
T
A
----
L
F
N
L
L
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D
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D
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M
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G
L
R
C
I
L
F
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-
V
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A
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K
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A
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----
A
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V
V
--
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D
LP
D
-
S
I
S
S
-
L
P
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G
K
P
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-
N
A
S
V
Y
I
L
N
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--
Q
S
Q
L
Q
P
F
G
A
V
G
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L
C
I
S
G
M
G
V
S
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V
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L
T
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K
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N
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F
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--
T
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L
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D
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T
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A
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A
V
V
V
A
D
R
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I
N
A
Y
L
V
--
N
R
T
Q
L
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A
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D
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K
A
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L
K
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L
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A
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P
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L
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L
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L
T
T
N
G
K
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N
K
R
L
L
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D
-
Q
D
Q
L
A
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W
I
G
P
R
N
E
M
E
E
T
I
A
Q
I
W
S
E
V
L
G
R
K
-
Q
I
G
I
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D
D
F
F
A
L
G
G
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A
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A
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A
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K
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L
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L
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P
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L
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L
-
D
R
Y
A
D
L
I
Q
K
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
61.74
27%
-107
- C1 -
4ZXH
3
?
A:
[11-1048]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
E
V
L
S
R
H
A
I
S
S
E
Q
L
G
I
W
Y
I
Q
R
L
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S
A
Y
N
M
V
V
A
F
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V
K
V
N
Q
S
L
G
N
K
P
I
E
I
L
E
A
V
---
M
H
D
Y
P
L
L
R
V
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M
P
A
N
D
Q
G
I
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Q
L
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I
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F
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D
A
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IE
A
--
S
D
------
L
T
Q
L
-
V
E
Q
D
-
T
----
K
Q
P
F
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Q
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-
P
L
W
R
I
H
C
Y
E
C
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A
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H
H
A
L
M
D
F
W
S
I
G
L
L
L
R
D
V
S
K
R
F
----
G
L
V
----
A
E
SD
A
---
V
N
G
I
E
F
V
Q
Y
A
------
D
K
Q
Q
S
S
VI-
D
D
T
D
E
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L
I
----
F
W
K
N
A
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A
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V
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Y
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--
R
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----
P
L
A
Q
I
-
G
M
F
------------
W
E
----
R
L
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G
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A
T
L
V
G
Q
-
D
L
T
L
G
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F
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Q
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E
G
Q
L
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L
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-
M
G
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L
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Y
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A
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N
M
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Q
L
L
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A
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L
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A
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I
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D
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A
P
D
Y
K
D
G
I
Q
F
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--
A
L
R
G
K
A
--
T
DY
A
Q
H
D
L
F
A
M
I
L
K
Q
I
D
E
R
G
D
N
H
A
L
T
S
--
H
T
V
S
Y
R
E
L
G
Q
H
I
A
G
I
A
E
Y
L
R
A
H
G
I
T
Q
G
D
R
V
G
L
M
L
D
R
T
A
L
L
P
A
A
I
L
G
I
W
A
A
G
A
A
Y
V
P
L
D
P
N
F
P
T
E
R
L
Q
N
I
I
E
D
A
E
P
K
V
I
L
T
Q
T
E
L
M
D
G
L
N
V
-
S
V
-
P
R
L
D
---
I
N
Q
A
G
V
--
V
A
L
E
Q
V
R
E
T
L
A
F
G
D
I
A
Y
V
M
Y
T
S
----
K
P
K
G
V
R
I
G
H
P
S
I
I
N
F
L
L
S
M
N
D
R
L
Q
V
T
T
E
T
Q
L
L
A
I
T
T
Y
A
F
D
I
S
I
L
E
L
L
I
P
L
M
Y
G
G
V
V
H
V
C
P
R
E
V
S
Q
D
G
I
Q
L
V
D
Y
L
N
A
K
S
I
N
V
L
Q
A
T
P
A
T
W
K
M
L
L
D
--
S
E
------
W
S
G
N
A
G
L
T
A
L
C
G
G
E
A
L
D
T
I
L
A
E
K
L
L
G
K
V
--
G
C
L
W
-
N
V
Y
G
P
T
E
T
T
V
W
S
S
A
A
R
I
T
D
-------
A
K
Y
I
D
--------
L
G
E
P
L
A
N
T
Q
L
Y
V
L
D
E
Q
Q
R
L
V
P
P
G
V
M
G
E
L
W
I
G
G
D
G
L
A
V
D
Y
W
Q
R
P
E
L
T
D
A
Q
F
R
T
L
P
S
L
P
N
A
G
-
R
L
Y
R
T
G
D
K
V
C
L
R
T
D
G
R
L
T
H
H
G
R
L
D
F
Q
V
K
I
R
G
F
R
I
E
L
G
E
I
E
N
V
L
K
Q
I
D
G
I
T
D
A
V
V
-------
L
V
K
T
-------
T
G
D
N
D
Q
K
L
V
A
Y
V
T
G
Q
-
E
--
L
D
I
A
G
L
K
K
N
L
Q
I
H
L
P
A
Y
M
V
P
S
A
F
I
R
L
D
E
F
P
M
T
A
N
K
K
L
D
R
K
A
F
P
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P
I
-
F
E
Q
S
--
N
D
Y
V
A
P
R
D
P
I
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I
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L
C
T
T
F
E
Q
I
L
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V
K
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V
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D
D
F
F
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L
G
G
H
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L
L
A
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L
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H
L
K
K
A
F
G
T
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L
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A
L
L
A
Q
Y
S
T
V
E
R
L
G
E
I
I
R
E
N
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
61.70
39%
-96
- C1 -
2VSQ
2
SRFAC_BACSU
A:
[5-1060]
-
S
K
D
Q
V
Q
D
M
Y
Y
L
S
P
M
Q
E
G
M
L
F
H
A
I
L
N
P
G
Q
S
F
Y
L
E
Q
I
T
M
K
V
K
G
S
L
N
I
K
C
L
E
E
S
M
N
V
I
M
D
R
Y
D
V
F
R
T
V
F
I
H
E
K
V
K
R
P
V
Q
V
V
L
K
K
R
Q
F
H
I
E
E
I
D
L
T
H
L
T
G
S
E
Q
T
A
K
I
N
E
Y
K
E
Q
D
K
I
R
G
F
D
L
T
R
D
I
P
M
R
A
A
I
F
K
K
A
E
E
S
F
E
W
V
W
S
Y
H
H
I
I
L
D
G
W
C
F
G
I
V
V
Q
D
L
F
K
V
Y
N
A
L
R
E
Q
K
P
Y
S
L
P
P
V
K
P
Y
K
D
Y
I
K
W
L
E
K
Q
D
K
Q
A
S
L
R
Y
W
R
E
Y
L
E
G
F
E
G
Q
T
T
F
A
E
Q
R
K
K
Q
K
D
G
Y
E
P
K
E
L
L
F
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P
S
E
A
E
T
K
A
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L
A
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Q
H
T
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L
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A
L
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A
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W
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L
I
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Y
Q
Q
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G
D
L
A
F
G
T
V
V
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R
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A
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I
K
G
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H
M
V
G
L
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L
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Q
Y
V
P
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Q
P
K
L
I
D
H
I
I
V
F
E
N
Y
P
L
Q
D
A
K
N
E
--
E
S
S
E
N
G
F
D
M
V
D
V
H
V
F
E
K
S
N
Y
D
L
N
L
M
A
S
P
G
D
E
M
L
I
K
L
A
Y
N
E
N
V
F
D
E
A
F
I
L
R
L
K
S
Q
L
L
T
A
I
Q
Q
L
I
Q
N
P
D
Q
P
V
S
T
I
N
L
V
D
D
R
E
R
E
F
L
L
T
G
L
N
P
P
A
Q
-
A
H
E
T
K
P
L
T
Y
W
F
K
E
A
V
N
A
N
P
D
A
P
A
L
T
Y
S
G
Q
T
L
S
Y
R
E
L
D
E
E
A
N
R
I
A
R
R
L
Q
K
H
G
A
G
K
G
S
V
V
A
L
Y
T
K
R
S
L
E
L
V
I
G
I
L
G
V
L
K
A
G
A
A
Y
L
P
V
D
P
K
L
P
E
D
R
I
S
Y
M
L
A
D
S
A
A
A
C
L
L
T
H
Q
E
M
K
E
Q
A
A
E
L
P
YT
G
T
T
L
F
I
D
D
Q
----
T
R
F
--
E
----
E
Q
A
S
D
P
A
T
A
I
D
P
N
D
-
P
A
Y
I
M
Y
T
S
G
T
T
G
K
P
K
G
N
I
T
T
H
A
N
I
Q
G
L
-
V
K
H
V
-
D
Y
M
A
F
S
D
Q
D
T
F
L
S
V
S
N
Y
A
F
D
A
F
T
F
D
F
Y
A
S
M
L
N
A
A
R
L
I
I
A
D
E
H
T
L
L
D
T
E
R
L
T
D
L
I
L
Q
E
N
V
N
V
M
F
A
T
T
A
----
L
F
N
L
L
T
D
A
G
E
D
W
M
K
G
L
R
C
I
L
F
G
G
E
-
R
A
-
S
V
P
H
V
R
K
-
A
L
R
I
M
G
P
G
K
L
I
N
C
Y
G
P
T
E
G
T
V
F
A
T
----
A
H
V
V
--
H
D
LP
D
-
S
I
S
S
-
L
P
I
G
K
P
I
S
-
N
A
S
V
Y
I
L
N
E
--
Q
S
Q
L
Q
P
F
G
A
V
G
E
L
C
I
S
G
M
G
V
S
K
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Y
V
N
R
A
D
L
T
K
E
K
F
I
E
N
P
F
K
P
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--
T
L
Y
R
T
G
D
L
A
R
W
L
P
D
G
T
I
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Y
A
G
R
I
D
D
Q
V
K
I
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H
R
I
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L
E
E
I
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K
Q
L
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Y
P
G
V
K
D
A
V
V
V
A
D
R
H
E
S
G
D
A
S
I
N
A
Y
L
V
--
N
R
T
Q
L
S
A
E
D
V
K
A
H
L
K
K
Q
L
P
A
Y
M
V
P
Q
T
F
T
F
L
D
E
L
P
L
T
T
N
G
K
V
N
K
R
L
L
P
K
P
D
-
Q
D
Q
L
A
E
E
W
I
G
P
R
N
E
M
E
E
T
I
A
Q
I
W
S
E
V
L
G
R
K
Q
I
-
G
I
H
D
D
F
F
A
L
G
G
H
A
L
K
A
M
T
A
A
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L
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L
P
V
K
L
L
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A
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T
I
A
G
I
S
A
Y
L
K
N
G
G
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
61.52
27%
-94
- C1 -
4ZXJ
1
ENTF_ECOLI
A:
[1-1041]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
L
P
L
V
A
A
Q
P
G
I
W
M
A
E
K
L
S
E
L
P
S
A
W
S
V
A
H
Y
V
E
L
T
G
E
V
D
S
-
P
L
L
A
R
A
V
V
A
G
---
L
A
Q
A
D
T
L
R
M
R
F
T
E
D
N
G
E
V
W
Q
W
V
D
D
A
L
T
F
E
L
P
-
E
I
I
D
L
R
-----
T
N
IDPH
G
T
A
-
Q
A
-
L
M
Q
A
D
L
----
Q
Q
D
L
R
V
D
-
S
G
K
P
L
V
F
H
Q
L
I
Q
V
A
D
N
R
W
Y
W
Y
Q
R
Y
H
H
L
L
V
D
G
F
S
F
P
A
I
T
R
Q
I
A
N
I
Y
C
T
W
L
R
G
E
--------
P
---
T
P
A
S
P
F
T
P
F
A
D
V
V
E
E
Y
Q
Q
Y
R
E
S
---
E
A
W
Q
R
D
A
A
----
F
W
A
E
Q
R
R
Q
L
P
P
P
A
S
L
S
P
A
P
L
PG
R
S
A
S
A
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I
L
R
L
K
L
E
F
TD
G
E
F
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Q
L
A
T
Q
L
S
G
V
Q
-
R
T
D
L
A
L
-----
A
L
A
A
L
W
L
G
R
L
C
N
R
M
D
Y
A
A
G
F
I
F
M
R
R
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A
A
L
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A
T
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V
L
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V
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A
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L
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Y
D
A
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Q
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------
R
D
S
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R
A
AGDE
P
L
F
G
P
-
V
L
N
------------
I
K
VF
D
Y
Q
L
D
I
P
D
V
Q
A
Q
T
H
T
L
A
TGP----
V
N
-
D
L
E
L
A
L
F
P
D
V
H
G
----
D
L
S
I
E
-
I
L
A
-
N
-
K
Q
R
-----------
Y
D
E
P
T
L
I
Q
H
A
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R
L
K
M
L
I
A
Q
F
A
A
D
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A
L
L
C
G
D
V
D
I
M
L
P
G
E
Y
A
Q
L
A
Q
L
-
N
A
T
Q
V
E
--
I
--
P
E
T
T
L
S
A
L
V
A
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A
A
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D
A
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A
L
A
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Y
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A
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L
L
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A
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A
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F
L
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A
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A
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A
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L
L
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D
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L
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N
-
L
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---
L
C
Y
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A
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G
S
A
P
L
Q
L
S
Q
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H
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G
S
T
G
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P
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G
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L
L
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C
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D
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A
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A
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T
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Y
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P
D
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Q
A
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T
H
A
C
VINQ
A
A
A
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-------
G
-
G
D
A
R
Q
L
V
G
Y
L
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LP
L
D
T
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A
L
Q
A
Q
L
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L
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V
P
V
V
L
L
Q
L
P
Q
L
P
L
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A
N
G
K
L
D
R
K
A
L
P
L
P
E
L
K
A
Q
A
P
G
R
---
A
P
K
A
G
S
E
T
I
I
A
A
A
F
S
S
L
L
G
C
D
V
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D
A
D
A
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F
F
A
L
G
G
H
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L
L
A
M
K
L
A
A
Q
L
S
R
Q
V
A
R
Q
V
T
P
G
Q
V
M
V
A
S
T
V
A
K
L
A
T
I
I
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
60.99
28%
-96
- C1 -
4ZXH
3
?
A:
[12-1048]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
L
S
R
H
A
I
S
S
E
Q
L
G
I
W
Y
I
Q
R
L
E
P
T
C
S
A
Y
N
M
V
V
A
F
D
V
K
V
N
Q
S
L
G
N
K
P
I
E
I
L
E
A
V
M
H
D
Y
P
L
L
R
V
S
M
P
A
N
D
-
Q
G
I
E
Q
L
I
W
D
R
V
Y
P
N
I
I
-
F
S
D
A
R
H
IE
A
----
S
D
L
T
Q
L
V
E
Q
D
T
K
Q
P
F
D
L
T
-
Q
P
P
L
W
R
I
H
C
Y
E
C
G
Q
N
H
Y
V
I
A
F
V
I
H
H
A
L
M
D
F
W
S
I
G
L
L
L
R
D
V
S
K
R
F
G
L
V
----
A
-----
E
SD
A
V
N
G
I
E
F
V
Q
Y
A
D
K
Q
Q
S
S
V
I
-
D
D
T
D
E
S
L
I
F
W
K
N
A
L
K
H
A
P
H
V
H
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I
P
L
D
Y
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R
P
A
V
Q
Q
H
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L
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V
S
E
S
V
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S
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L
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N
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L
F
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L
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L
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G
F
Y
V
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L
H
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L
S
N
E
N
N
L
V
I
A
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P
V
A
G
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L
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--
R
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A
L
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A
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Q
V
Q
E
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L
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I
A
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V
V
E
A
V
S
P
K
R
D
G
S
I
N
P
L
A
Q
I
G
M
F
W
E
R
L
G
G
M
D
E
F
KELLLPIQTP
A
T
L
V
G
Q
D
L
T
L
G
S
F
P
V
R
Q
Q
E
G
Q
L
D
I
T
L
E
M
G
G
E
Y
-
Q
G
E
L
V
G
V
L
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Y
N
T
D
L
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A
Q
S
A
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M
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Q
L
L
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A
V
L
S
E
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A
H
P
E
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K
I
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D
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A
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D
Y
K
D
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F
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A
L
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A
T
D
-
Y
A
Q
H
D
L
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A
M
I
L
K
Q
I
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G
D
N
H
A
L
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--
H
T
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Y
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Q
H
I
A
G
I
A
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Y
L
R
A
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Q
G
D
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V
G
L
M
L
D
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T
A
L
L
P
A
A
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I
W
A
A
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A
A
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V
P
L
D
P
N
F
P
T
E
R
L
Q
N
I
I
E
D
A
E
P
K
V
I
L
-------
T
Q
T
E
------
L
M
D
G
L
N
V
S
-----
V
P
R
L
D
I
N
Q
------
A
G
V
V
A
L
E
Q
V
R
E
T
L
A
F
G
D
I
A
Y
V
M
Y
T
S
----
K
P
K
G
V
R
I
G
H
P
S
I
I
N
F
L
L
S
M
N
D
R
L
Q
V
T
T
E
T
Q
L
L
A
I
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T
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A
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I
L
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L
L
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L
M
Y
G
G
V
V
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C
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R
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Q
D
G
I
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L
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D
Y
L
N
A
K
S
I
N
V
L
Q
A
T
P
A
T
W
K
M
L
L
D
S
--------
E
WS-
G
N
A
G
L
T
A
L
C
G
G
E
A
L
D
T
I
L
-
A
-------
E
K
L
L
G
K
V
G
C
L
W
N
V
Y
G
P
T
E
T
T
V
W
S
S
A
A
R
I
T
----------
D
A
K
Y
I
D
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L
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T
Q
L
Y
V
L
D
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L
W
I
G
G
D
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L
A
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L
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A
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F
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L
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L
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A
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L
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R
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D
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V
C
L
R
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G
R
L
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G
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K
I
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F
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I
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L
G
E
I
E
N
V
L
K
Q
I
D
G
I
T
D
A
V
V
L
V
K
------
T
T
G
D
N
D
Q
K
L
V
A
-
Y
V
T
G
-
Q
---
E
L
D
I
A
G
L
K
K
N
L
Q
I
H
L
P
A
Y
M
V
P
S
A
F
I
R
L
D
E
F
P
M
T
A
N
K
K
L
D
R
K
A
F
P
--
E
P
I
F
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Q
S
-
N
D
Y
V
A
P
R
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I
E
L
C
T
T
F
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Q
I
L
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V
K
R
V
G
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D
D
F
F
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L
G
G
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S
L
L
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L
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H
L
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A
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A
Q
Y
S
T
V
E
R
L
G
E
I
I
R
E
N
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
HHSearch
60.94
34%
-83
- C1 -
2VSQ
2
SRFAC_BACSU
A:
[7-1060]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
Q
V
Q
D
M
Y
Y
L
S
P
M
Q
E
G
M
L
F
H
A
I
L
N
P
G
Q
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F
Y
L
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M
K
V
K
G
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N
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-
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C
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M
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V
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R
Y
D
V
F
R
T
V
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V
K
R
P
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V
V
L
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K
R
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-
E
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D
L
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H
LT
G
S
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A
K
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N
E
Y
K
E
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D
K
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R
G
F
D
L
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-
R
D
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P
M
R
A
A
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F
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K
A
E
E
S
F
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W
V
W
S
Y
H
H
I
I
L
D
G
W
C
F
G
I
V
V
Q
D
L
F
K
V
Y
N
A
L
----
R
E
Q
K
P
Y
S
--
L
P
P
V
K
P
Y
K
D
Y
I
K
W
L
E
K
Q
----
D
K
Q
A
S
L
R
Y
W
R
E
Y
L
E
G
F
E
G
Q
T
T
F
A
E
Q
R
K
K
Q
K
-
D
G
Y
E
P
K
E
L
L
F
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S
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A
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T
A
L
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A
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W
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V
L
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R
Y
Q
Q
S
G
D
L
A
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G
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V
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G
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A
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K
G
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M
V
G
L
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V
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L
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L
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E
P
H
Q
Y
V
P
L
Y
D
I
Q
S
Q
A
D
------
Q
P
K
L
I
D
H
I
I
V
F
E
N
Y
P
L
Q
D
A
K
NEESS-------
E
--
N
G
F
D
M
V
D
V
-
H
V
F
E
K
S
N
Y
D
L
N
L
M
A
S
--
P
-
G
D
E
M
L
I
K
L
A
Y
N
E
N
V
F
D
E
A
F
I
L
R
L
K
S
Q
L
L
T
A
I
Q
Q
L
I
Q
N
P
D
Q
P
V
S
T
I
N
L
V
D
D
R
E
R
E
F
L
L
T
G
L
N
P
P
A
Q
A
-
H
E
T
K
P
L
T
Y
W
F
K
E
A
V
N
A
N
P
D
A
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A
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A
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R
L
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A
G
K
G
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V
V
A
L
Y
T
K
R
S
L
E
L
V
I
G
I
L
G
V
L
K
A
G
A
A
Y
L
P
V
D
P
K
L
P
E
D
R
I
S
Y
M
L
A
D
S
A
A
A
C
L
L
-------
T
H
Q
E
------
M
K
E
Q
A
A
E
L
PYT
G
T
T
L
F
I
D
D
Q
T
------
R
F
E
E
Q
A
S
D
P
A
T
A
I
D
P
N
D
P
A
Y
I
M
Y
T
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G
T
T
G
K
P
K
G
N
I
T
T
H
A
N
I
Q
G
L
V
K
H
V
-
D
Y
M
A
F
S
D
Q
D
T
F
L
S
V
S
N
Y
A
F
D
A
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T
F
D
F
Y
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L
N
A
A
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A
D
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H
T
L
L
D
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L
T
D
L
I
L
Q
E
N
V
N
V
M
F
A
T
T
A
L
F
N
L
L
T
D
A
--------
G
EDW
M
K
G
L
R
C
I
L
F
G
G
E
R
A
S
V
P
H
-
V
R
K
A
L
R
I
M
G
-----
P
G
K
L
I
N
C
Y
G
P
T
E
G
T
V
F
A
T
A
H
V
V
H
------
D
LPD
S
I
S
S
L
P
I
G
K
P
I
S
N
A
S
V
Y
I
L
N
E
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L
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P
F
G
A
V
G
E
L
C
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G
M
G
V
S
K
G
Y
V
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R
A
D
L
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E
K
F
I
E
N
P
F
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-
P
G
E
T
L
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D
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A
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W
L
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H
R
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L
E
E
I
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K
Q
L
Q
E
Y
P
G
V
K
D
A
V
V
V
A
D
------
R
H
E
S
G
D
A
S
I
N
A
-
Y
L
V
N
R
T
---
Q
L
S
A
E
D
V
K
A
H
L
K
K
Q
L
P
A
Y
M
V
P
Q
T
F
T
F
L
D
E
L
P
L
T
T
N
G
K
V
N
K
R
L
L
P
--
K
P
D
Q
D
Q
L
A
E
E
W
I
G
P
R
N
E
M
E
E
T
I
A
Q
I
W
S
E
V
L
G
R
K
Q
I
G
I
H
D
D
F
F
A
L
G
G
H
A
L
K
A
M
T
A
A
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R
I
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K
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L
L
F
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A
P
T
I
A
G
I
S
A
Y
L
K
N
G
G
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
59.54
28%
-105
- C1 -
4ZXH
3
?
A:
[17-1041]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
A
I
S
S
E
Q
L
G
I
W
Y
I
Q
R
L
E
P
T
C
S
A
Y
N
M
--
V
V
A
F
D
V
K
V
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L
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L
L
R
V
S
M
P
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N
D
Q
G
I
E
Q
L
I
W
D
R
V
Y
P
N
I
I
-
F
S
D
A
R
H
-----
I
E
------
A
-
S
D
-
L
T
Q
L
-
V
E
Q
D
T
K
Q
P
F
D
L
T
-
Q
P
-
P
L
W
R
I
H
C
Y
E
C
G
Q
N
H
Y
V
I
A
F
V
I
H
H
A
L
M
D
F
W
S
I
G
L
L
L
R
D
V
S
K
R
F
-----
G
L
----
V
A
--
E
SDA
V
N
G
I
E
F
V
Q
Y
A
--------
D
K
Q
Q
---
S
S
V
I
D
D
T
D
E
S
L
I
F
W
K
N
A
L
K
H
A
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--
R
P
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--
R
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L
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L
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G
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L
L
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L
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N
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N
N
L
V
I
A
T
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A
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L
R
N
A
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R
D
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S
I
N
----
P
L
A
Q
I
G
M
F
W
E
R
L
G
GMDEFKEL
L
L
----
P
I
Q
T
P
A
T
L
--------------
V
G
Q
D
L
T
L
G
S
F
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Q
E
G
Q
L
D
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L
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-
Y
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M
V
Q
L
L
Q
A
V
L
S
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I
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L
D
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A
P
D
Y
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F
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AL
R
G
K
A
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--
Y
--
A
Q
H
D
L
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A
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I
L
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D
N
H
A
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--
H
T
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A
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A
E
Y
L
R
A
H
G
I
T
Q
G
D
R
V
G
L
M
L
D
R
T
A
L
L
P
A
A
I
L
G
I
W
A
A
G
A
A
Y
V
P
L
D
P
N
F
P
T
E
R
L
Q
N
I
I
E
D
A
E
P
K
V
I
L
T
Q
T
E
L
M
------
D
G
-
L
N
V
S
V
P
R
L
D
I
N
Q
A
G
V
V
A
L
E
Q
V
R
E
T
L
A
F
G
D
I
A
Y
V
M
Y
T
S
----
K
P
K
G
V
R
I
G
H
P
S
I
I
N
F
L
L
S
M
N
D
R
L
Q
V
T
T
E
T
Q
L
L
A
I
T
T
Y
A
F
D
I
S
I
L
E
L
L
I
P
L
M
Y
G
G
V
V
H
V
C
P
R
E
V
S
Q
D
G
I
Q
L
V
D
Y
L
N
A
K
S
I
N
V
L
Q
A
T
P
A
T
W
K
M
L
L
D
--
S
-
E
W
S
-
G
N
A
G
L
T
A
L
----
C
G
G
E
A
L
---
D
T
I
L
A
E
K
L
L
G
K
V
G
C
L
W
N
V
Y
G
P
T
E
T
T
V
W
S
S
A
A
R
I
-------
T
D
A
K
Y
I
D
--------
L
G
E
P
L
A
N
T
Q
L
Y
V
L
D
E
Q
Q
R
L
V
P
P
G
V
M
G
E
L
W
I
G
G
D
G
L
A
V
D
Y
W
Q
R
P
E
L
T
D
A
Q
F
R
T
L
P
S
L
-
P
N
A
G
R
L
Y
R
T
G
D
K
V
C
L
R
T
D
G
R
L
T
H
H
G
R
L
D
F
Q
V
K
I
R
G
F
R
I
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L
G
E
I
E
N
V
L
K
Q
I
D
G
I
T
D
A
V
V
-------
L
V
K
T
-------
T
-
G
D
N
D
Q
K
L
V
A
Y
V
T
G
Q
E
--
L
D
I
A
G
L
K
K
N
L
Q
I
H
L
P
A
Y
M
V
P
S
A
F
I
R
L
D
E
F
P
M
T
A
N
K
K
L
D
R
K
A
F
P
E
P
I
-
F
E
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S
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--
Y
V
A
P
R
D
P
I
E
I
E
L
C
T
T
F
E
Q
I
L
S
V
K
R
V
G
I
H
D
D
F
F
E
L
G
G
H
S
L
L
A
V
K
L
V
N
H
L
K
K
A
F
G
T
E
L
S
V
A
L
L
A
Q
Y
S
T
V
E
R
L
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
58.94
28%
-105
- C1 -
4ZXI
5
?
A:
[17-1041]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
A
I
S
S
E
Q
L
G
I
W
Y
I
Q
R
L
E
P
T
C
S
A
Y
N
M
--
V
V
A
F
D
V
K
V
N
Q
-
S
L
G
N
K
P
I
E
I
L
E
A
V
M
H
D
Y
P
L
L
R
V
S
M
P
A
N
D
Q
G
I
E
Q
L
I
W
D
R
V
Y
P
N
I
I
-
F
S
D
A
R
H
-----
I
E
------
A
-
S
D
-
L
T
Q
L
-
V
E
Q
D
T
K
Q
P
F
D
L
T
-
Q
P
-
P
L
W
R
I
H
C
Y
E
C
G
Q
N
H
Y
V
I
A
F
V
I
H
H
A
L
M
D
F
W
S
I
G
L
L
L
R
D
V
S
K
R
F
-----
G
L
----
V
A
--
E
SDA
V
N
G
I
E
F
V
Q
Y
A
--------
D
K
Q
Q
---
S
S
V
I
D
D
T
D
E
S
L
I
F
W
K
N
A
L
K
H
A
P
H
V
H
S
I
P
L
D
Y
P
--
R
P
A
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Q
H
K
G
S
S
L
V
F
--
R
V
S
E
S
V
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N
L
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Y
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I
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L
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L
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V
L
L
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L
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N
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N
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L
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L
R
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A
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A
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L
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Q
K
I
A
F
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R
V
V
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A
V
S
P
K
R
D
G
S
I
N
----
P
L
A
Q
I
G
M
F
W
E
RLGGMDEFKEL
L
L
----
P
I
Q
T
P
A
T
L
--------------
V
G
Q
D
L
T
L
G
S
F
P
V
R
Q
Q
E
G
Q
L
D
I
T
L
E
M
G
G
E
-
Y
-
Q
G
E
L
V
G
V
L
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Y
N
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D
L
F
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A
Q
S
A
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M
V
Q
L
L
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A
V
L
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M
V
A
H
P
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R
K
I
V
E
L
D
I
A
P
D
Y
K
D
G
I
Q
F
E
AL
R
G
K
A
T
D
--
Y
--
A
Q
H
D
L
F
A
M
I
L
K
Q
I
D
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R
G
D
N
H
A
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--
H
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Y
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A
G
I
A
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A
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G
D
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G
L
M
L
D
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A
L
L
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A
A
I
L
G
I
W
A
A
G
A
A
Y
V
P
L
D
P
N
F
P
T
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R
L
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N
I
I
E
D
A
E
P
K
V
I
L
T
Q
T
E
L
M
------
D
G
-
L
N
V
S
V
P
R
L
D
I
N
Q
A
G
V
V
A
L
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T
L
A
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D
I
A
Y
V
M
Y
T
S
----
K
P
K
G
V
R
I
G
H
P
S
I
I
N
F
L
L
S
M
N
D
R
L
Q
V
T
T
E
T
Q
L
L
A
I
T
T
Y
A
F
D
I
S
I
L
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L
L
I
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L
M
Y
G
G
V
V
H
V
C
P
R
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V
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D
G
I
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L
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D
Y
L
N
A
K
S
I
N
V
L
Q
A
T
P
A
T
W
K
M
L
L
D
--
S
-
E
W
S
-
G
N
A
G
L
T
A
L
----
C
G
G
E
A
L
---
D
T
I
L
A
E
K
L
L
G
K
V
G
C
L
W
N
V
Y
G
P
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T
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-------
T
D
A
K
Y
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--------
L
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Q
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L
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P
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D
G
L
A
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Y
W
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A
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L
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L
-
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N
A
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I
T
D
A
V
V
-------
L
V
K
T
-------
T
-
G
D
N
D
Q
K
L
V
A
Y
V
T
G
Q
E
--
L
D
I
A
G
L
K
K
N
L
Q
I
H
L
P
A
Y
M
V
P
S
A
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A
N
K
K
L
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K
A
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I
-
F
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--
Y
V
A
P
R
D
P
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C
T
T
F
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I
L
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V
K
R
V
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I
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D
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F
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L
G
G
H
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L
L
A
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L
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L
S
V
A
L
L
A
Q
Y
S
T
V
E
R
L
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
HHSearch
52.74
26%
-83
- C1 -
4ZXJ
1
ENTF_ECOLI
A:
[2-1041]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
P
L
V
A
A
Q
P
G
I
W
M
A
E
K
L
S
E
L
P
S
A
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A
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V
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L
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-
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L
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N
-
G
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V
W
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W
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D
D
A
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L
P
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I
D
L
R
T
NIDPH--
G
T
A
Q
A
L
M
Q
A
D
L
Q
Q
D
L
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V
D
S
G
K
P
L
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H
Q
L
I
Q
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A
D
N
R
W
Y
W
Y
Q
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Y
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L
L
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F
S
F
P
A
I
T
R
Q
I
A
N
I
Y
C
T
W
L
R
GE
P
-----
T
P-
A
S
P
F
T
P
F
A
D
V
V
E
E
Y
Q
Q
Y
R
E
S
E
A
W
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A
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W
A
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R
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L
P
P
P
A
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L
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--
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F
D
Y
Q
L
-
D
------------
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--
P
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V
Q
A
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T
-
L
A
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P
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N
D
L
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L
A
L
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A
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D
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M
L
P
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Y
A
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-
A
Q
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N
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-
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P
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T
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A
L
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A
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L
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T
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L
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---
P
N
L
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L
C
Y
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-----
A
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P
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---
C
A
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G
A
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---
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L
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A
L
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A
V
T
H
A
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VINQAA
A
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G
G
D
A
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Q
L
V
G
-
Y
L
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-
Q
SGL
P
L
D
T
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A
L
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A
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L
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L
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V
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L
L
Q
L
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Q
L
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L
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A
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K
L
D
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K
A
L
P
--
L
P
E
L
K
A
-
Q
A
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G
R
A
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K
A
G
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E
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I
I
A
A
A
F
S
S
L
L
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C
D
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D
A
D
A
D
F
F
A
L
G
G
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L
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L
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V
A
S
T
V
A
K
L
A
T
I
I
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
51.48
27%
-94
* C1 *
4ZXJ
1
ENTF_ECOLI
A:
[2-1041]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
P
L
V
A
A
Q
P
G
I
W
M
A
E
K
L
S
E
L
P
S
A
W
S
V
A
H
Y
V
E
L
T
G
E
V
D
S
-
P
L
L
A
R
A
V
V
A
G
---
L
A
Q
A
D
T
L
R
M
R
F
T
E
D
N
G
E
V
W
Q
W
V
D
D
A
L
T
F
E
L
P
E
I
I
D
L
R
T
NIDPH
G
T
------
A
-
Q
A
L
M
Q
A
D
-
L
----
Q
Q
D
L
R
V
D
S
G
K
-
P
L
V
F
H
Q
L
I
Q
V
A
D
N
R
W
Y
W
Y
Q
R
Y
H
H
L
L
V
D
G
F
S
F
P
A
I
T
R
Q
I
A
N
I
Y
----
C
T
W
L
R
GE
P
T
P-
A
---
S
P
F
T
P
F
A
D
V
V
------
E
E
Y
Q
Q
Y
R
E
S
E
A
W
Q
R
D
A
A
----
F
W
A
E
Q
R
R
Q
L
P
P
P
A
S
L
S
P
A
P
L
--
P
G
R
S
A
S
A
D
I
L
R
L
K
L
--
E
F
T
D
--
G
E
F
R
Q
L
A
T
Q
L
S
G
V
Q
R
T
D
L
A
L
A
L
A
A
L
W
L
G
R
L
C
N
R
M
D
Y
A
A
G
F
I
F
M
R
R
L
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S
A
A
L
T
A
T
G
P
V
L
N
V
L
P
L
G
I
H
I
A
A
Q
E
T
L
P
E
L
A
T
R
L
A
A
Q
L
K
K
M
R
R
H
Q
R
Y
D
A
E
Q
I
V
R
D
S
G
R
--
A
A
G
D
E
----
P
L
F
G
P
-
V
L
N
------------
I
K
----
V
F
D
Y
Q
L
-
D
--------------
I
P
-
D
V
Q
A
Q
T
H
T
-
L
A
T
G
P
V
N
D
L
E
L
A
-
L
F
P
-
D
V
H
G
D
L
S
I
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I
L
A
N
K
Q
R
Y
D
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P
T
L
I
Q
H
A
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L
K
M
L
I
A
Q
F
A
A
D
P
A
L
L
C
G
D
V
D
I
M
L
P
G
E
Y
A
Q
L
A
---
Q
L
N
A
T
Q
V
E
I
--
P
E
T
T
L
S
A
L
V
A
E
Q
A
A
K
T
P
D
A
P
A
L
A
D
A
R
Y
L
F
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R
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M
R
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V
V
A
L
A
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L
L
R
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R
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K
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G
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S
V
A
V
A
L
P
R
S
V
F
L
T
L
A
L
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A
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V
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A
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A
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P
L
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Y
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D
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L
K
M
M
L
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P
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L
L
I
T
T
D
D
Q
L
P
R
F
S
D
V
P
N
L
T
S
L
C
---
Y
N
A
-
P
L
-
T
P
Q
G
S
A
P
L
Q
L
S
Q
P
H
H
T
A
Y
I
I
F
T
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G
S
T
G
R
P
K
G
V
M
V
G
Q
T
A
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N
R
L
L
W
M
Q
N
H
Y
P
L
T
G
E
D
V
V
A
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K
T
P
C
S
F
D
V
S
V
W
E
F
F
W
P
F
I
A
G
A
K
L
V
M
A
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P
E
A
H
R
D
P
L
A
M
Q
Q
F
F
A
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Y
G
V
T
T
T
H
F
V
P
S
M
L
A
A
F
V
A
--
S
L
T
P
Q
T
A
R
Q
S
C
A
T
L
K
Q
V
F
C
S
G
E
A
L
P
A
D
L
C
R
E
W
Q
Q
L
T
-
G
A
P
L
H
-
N
L
Y
G
P
T
E
A
A
V
D
V
S
W
Y
P
A
F
G
E
E
L
A
Q
V
R
G
S
S
V
P
--------
I
G
Y
P
V
W
N
T
G
L
R
I
L
D
A
M
M
H
P
V
P
P
G
V
A
G
D
L
Y
L
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G
I
Q
L
A
Q
G
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L
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L
T
A
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R
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I
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A
-
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M
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A
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W
L
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G
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D
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V
M
Q
A
L
P
D
V
E
Q
A
V
T
-------
H
A
C
V
INQAAAT
G
-
G
D
A
R
Q
L
V
G
Y
L
V
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Q
S
G
LP
L
D
T
S
A
L
Q
A
Q
L
R
E
T
L
P
P
H
M
V
P
V
V
L
L
Q
L
P
Q
L
P
L
S
A
N
G
K
L
D
R
K
A
L
P
L
P
E
-
L
K
A
--
Q
A
P
G
R
A
P
K
A
G
S
E
T
I
I
A
A
A
F
S
S
L
L
G
C
D
V
Q
D
A
D
A
D
F
F
A
L
G
G
H
S
L
L
A
M
K
L
A
A
Q
L
S
R
Q
V
A
R
Q
V
T
P
G
Q
V
M
V
A
S
T
V
A
K
L
A
T
I
I
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
41
HHSearch
50.99
43%
-98
- C1 -
5ES8
1
LGRA_BREPA
A:
[202-768]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
T
N
A
L
H
E
E
K
A
-
N
G
A
C
-
D
I
I
D
---
V
H
D
P
D
S
Y
S
E
N
T
N
N
L
P
H
V
N
R
P
D
D
L
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
--
M
--------
D
N
Q
S
F
R
V
V
I
T
G
G
D
V
L
K
K
I
E
-----
R
-
N
G
T
Y
K
L
Y
-
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
E
V
D
K
------
P
Y
A
N
I
P
--------
I
G
K
P
I
D
R
T
R
I
L
I
L
D
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A
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L
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L
V
K
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Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
-------
L
A
K
E
Q------
A
-
D
G
R
K
Y
L
V
G
Y
Y
V
A
P
E
E
--
I
P
H
G
E
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
D
V
-----------
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
K
N
-
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
L
L
T
E
Q
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
40
HHSearch
49.48
43%
-88
- C1 -
5ES8
1
LGRA_BREPA
A:
[202-768]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
-------
T
N
A
L
------
H
E
E
K
A
N
G
A
---
C
D
I
I
D
V
H
D
P
D
------
S
Y
S
E
N
T
N
N
L
P
H
V
N
R
P
D
D
L
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
---
N
Q
S
F
R
V
V
I
T
G
G
D
V
L
K
K
I
E
R
N
-------
G
-----
T
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
E
V
D
------
K
---
P
Y
A
N
I
P
I
G
K
P
I
D
R
T
R
I
L
I
L
D
E
A
L
A
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
Q
--
T
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
L
A
K
------
E
Q
A
D
G
R
K
Y
L
V
G
-
Y
Y
V
A
P
E
---
E
I
P
H
G
E
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
--
D
V
---------
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
K
N
-
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
L
L
T
E
Q
A
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
49.00
43%
-87
- C1 -
5ES8
1
LGRA_BREPA
A:
[200-762]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
I
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
T
N
ALHEE
K
A
N
G
A
C
D
I
I
D
V
H
D
P
D
S
Y
S
---------------------
E
N
T
N
N
L
P
H
V
N
-
R
P
D
D
L
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
---
N
Q
S
F
R
V
V
I
T
G
G
D
V
L
K
K
I
E
-
R
-------
N
G----
T
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
E
V
D
------
K
---
P
Y
A
N
I
P
I
G
K
P
I
D
R
T
R
I
L
I
L
D
E
A
L
A
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
Q
T
--
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
L
A
K
------
E
Q
A
D
G
R
K
Y
L
V
G
Y
Y
V
A
P
-
E
---
E
I
P
H
G
E
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
DV-----------
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
K
N
-
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
48.94
43%
-84
- C1 -
5ES8
1
LGRA_BREPA
B:
[200-762]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
I
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
TNALHEE
K
A
N
G
ACDIID
V
H
D
P
D
S
Y
S
---------------------
E
N
T
N
N
L
P
H
V
N
-
R
P
D
D
L
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
---
N
Q
S
F
R
V
V
I
T
G
G
D
V
L
K
K
I
E
-
R
-------
N
G----
T
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
E
V
D
------
K
---
P
Y
A
N
I
P
I
G
K
P
I
D
R
T
R
I
L
I
L
D
E
A
L
A
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
Q
T
--
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
L
A
K
------
E
Q
A
D
G
R
K
Y
L
V
G
Y
Y
V
A
P
-
E
---
E
I
P
H
G
E
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
DV
Q
A
D
A
E
L
L
--
D
Y
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
K
N
-
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
48.14
43%
-95
- C1 -
5ES9
1
LGRA_BREPA
A:
[200-762]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
I
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
T
N
ALHEE
K
A
N
G
A
C
D
I
I
D
V
H
D
P
D
S
Y
S
---------------------
E
N
T
N
N
L
P
H
V
N
-
R
P
D
D
L
V
Y
V
M
Y
T
S
----
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
---
N
Q
S
F
R
V
V
I
T
G
G
D
V
L
K
K
I
E
-
R
-------
N
G----
T
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
E
V
D
------
K
---
P
Y
A
N
I
P
I
G
K
P
I
D
R
T
R
I
L
I
L
D
E
A
L
A
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
Q
T
--
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
L
A
K
------
E
Q
A
D
G
R
K
Y
L
V
G
Y
Y
V
A
P
-
E
---
E
I
P
H
G
E
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
D
V
Q
A
D
A
-------
V
A
P
T
D
E
L
E
Q
Q
L
A
Q
V
W
S
H
V
L
G
I
P
Q
M
G
I
D
D
H
F
L
E
R
G
G
D
S
I
K
V
M
Q
L
I
H
Q
L
K
N
-
I
G
L
S
L
R
Y
D
Q
L
F
T
H
P
T
I
R
Q
L
K
R
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
46.92
43%
-105
- C1 -
1AMU
4
GRSA_ANEMI
A:
[17-530]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
T
H
E
E
E
Q
Y
L
F
A
V
N
N
T
K
A
E
Y
P
R
D
K
T
I
H
Q
L
F
E
E
Q
V
S
K
R
P
N
N
V
A
I
V
C
E
N
E
Q
L
T
Y
H
E
L
N
V
K
A
N
Q
L
A
R
I
F
I
E
K
G
I
G
K
D
T
L
V
G
I
M
M
E
K
S
I
D
L
F
I
G
I
L
A
V
L
K
A
G
G
A
Y
V
P
I
D
I
E
Y
P
K
E
R
I
Q
Y
I
L
D
D
S
Q
A
R
M
L
L
T
Q
K
H
L
V
H
L
I
H
N
I
Q
--
F
N
G
-
Q
V
E
I
-----
F
E
E
--
D
TIKI
R
E
G
T
N
L
H
V
P
S
K
S
T
D
-
L
A
Y
V
I
Y
T
S
-----
P
K
G
T
M
L
E
H
K
G
I
S
N
L
K
V
F
F
E
-
N
S
L
N
V
T
E
K
D
R
I
G
Q
F
A
S
I
S
F
D
A
S
V
W
E
M
F
M
A
L
L
T
G
A
S
L
Y
I
I
L
K
D
T
I
N
D
F
V
K
F
E
Q
Y
I
N
Q
K
E
I
T
V
I
T
L
P
P
T
----
Y
V
V
H
L
---
D
P
E
R
I
L
S
I
Q
T
L
I
T
A
G
S
-
A
T
-
S
P
S
L
V
N
K
-
W
K
E
---
K
V
T
Y
I
N
A
Y
G
P
T
E
T
T
I
C
A
T
----
T
W
V
A
--
T
K
--
E
T
I
G
H
S
-
V
P
I
G
A
P
I
Q
-
N
T
Q
I
Y
I
V
D
E
--
N
L
Q
L
K
S
V
G
E
A
G
E
L
C
I
G
G
E
G
L
A
R
G
Y
W
K
R
P
E
L
T
S
Q
K
F
V
D
N
P
F
V
P
G
E
--
K
L
Y
K
T
G
D
Q
A
R
W
L
S
D
G
N
I
E
Y
L
G
R
I
D
N
Q
V
K
I
R
G
H
R
V
E
L
E
E
V
E
S
I
L
L
K
H
M
Y
I
S
E
T
A
V
S
V
H
K
D
H
Q
E
Q
P
Y
L
C
A
Y
F
V
--
S
E
K
H
I
P
L
E
Q
L
R
Q
F
S
S
E
E
L
P
T
Y
M
I
P
S
Y
F
I
Q
L
D
K
M
P
L
T
S
N
G
K
I
D
R
K
Q
L
P
E
P
D
L
T
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
46.40
43%
-98
- C1 -
5ES5
1
LGRA_BREPA
A:
[200-683]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
I
D
K
T
F
H
Q
L
F
E
Q
Q
V
E
M
T
P
D
H
V
A
V
V
D
R
G
Q
S
L
T
Y
K
Q
L
N
E
R
A
N
Q
L
A
H
H
L
R
G
K
G
V
K
P
D
D
Q
V
A
I
M
L
D
K
S
L
D
M
I
V
S
I
L
A
V
M
K
A
G
G
A
Y
V
P
I
D
P
D
Y
P
G
E
R
I
A
Y
M
L
A
D
S
S
A
A
I
L
L
T
N
ALHEE
K
A
N
G
A
C
D
I
I
D
V
H
D
P
D
S
Y
S
---------------------
E
N
T
N
N
L
P
H
V
N
-
R
P
D
D
L
V
Y
V
M
Y
T
S
G
S
T
G
L
A
K
G
V
M
I
E
H
H
N
L
V
N
F
C
E
W
Y
R
P
Y
F
G
V
T
P
A
D
K
A
L
V
Y
S
S
F
S
F
D
G
S
A
L
D
I
F
T
H
L
L
A
G
A
A
L
H
I
V
P
S
E
R
K
Y
D
L
D
A
L
N
D
Y
C
N
Q
E
G
I
T
I
S
Y
L
P
T
G
A
A
E
Q
F
M
Q
M
--------
D
---
N
Q
S
F
R
V
V
I
T
G
G
D
V
L
K
K
I
E
-
R
-------
N
G----
T
Y
K
L
Y
N
G
Y
G
P
T
E
C
T
I
M
V
T
M
F
E
V
D
------
K
---
P
Y
A
N
I
P
I
G
K
P
I
D
R
T
R
I
L
I
L
D
E
A
L
A
L
Q
P
I
G
V
A
G
E
L
F
I
V
G
E
G
L
G
R
G
Y
L
N
R
P
E
L
T
A
E
K
F
I
V
H
P
Q
T
--
G
E
R
M
Y
R
T
G
D
R
A
R
F
L
P
D
G
N
I
E
F
L
G
R
L
D
N
L
V
K
I
R
G
Y
R
I
E
P
G
E
I
E
P
F
L
M
N
H
P
L
I
E
L
T
T
V
L
A
K
------
E
Q
A
D
G
R
K
Y
L
V
G
Y
Y
V
A
P
-
E
---
E
I
P
H
G
E
L
R
E
W
L
G
N
D
L
P
D
Y
M
I
P
T
Y
F
V
H
M
K
A
F
P
L
T
A
N
G
K
V
D
R
R
A
L
P
D
V
Q
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
46.19
43%
-104
- C1 -
1AMU
4
GRSA_ANEMI
B:
[17-530]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
G
T
H
E
E
E
Q
Y
L
F
A
V
N
N
T
K
A
E
Y
P
R
D
K
T
I
H
Q
L
F
E
E
Q
V
S
K
R
P
N
N
V
A
I
V
C
E
N
E
Q
L
T
Y
H
E
L
N
V
K
A
N
Q
L
A
R
I
F
I
E
K
G
I
G
K
D
T
L
V
G
I
M
M
E
K
S
I
D
L
F
I
G
I
L
A
V
L
K
A
G
G
A
Y
V
P
I
D
I
E
Y
P
K
E
R
I
Q
Y
I
L
D
D
S
Q
A
R
M
L
L
T
Q
K
H
L
V
H
L
I
H
N
-
Q
--
F
N
G
-
Q
V
E
I
-----
F
E
E
--
D
TIKI
R
E
G
T
N
L
H
V
P
S
K
S
T
D
-
L
A
Y
V
I
Y
T
-----
N
P
K
G
T
M
L
E
H
K
G
I
S
N
L
K
V
F
F
E
-
N
S
L
N
V
T
E
K
D
R
I
G
Q
F
A
S
I
S
F
D
A
S
V
W
E
M
F
M
A
L
L
T
G
A
S
L
Y
I
I
L
K
D
T
I
N
D
F
V
K
F
E
Q
Y
I
N
Q
K
E
I
T
V
I
T
L
P
P
T
----
Y
V
V
H
L
---
D
P
E
R
I
L
S
I
Q
T
L
I
T
A
G
S
-
A
T
-
S
P
S
L
V
N
K
-
W
K
E
---
K
V
T
Y
I
N
A
Y
G
P
T
E
T
T
I
C
A
T
----
T
W
V
A
--
T
K
--
E
T
I
G
H
S
-
V
P
I
G
A
P
I
Q
-
N
T
Q
I
Y
I
V
D
E
--
N
L
Q
L
K
S
V
G
E
A
G
E
L
C
I
G
G
E
G
L
A
R
G
Y
W
K
R
P
E
L
T
S
Q
K
F
V
D
N
P
F
V
P
G
E
--
K
L
Y
K
T
G
D
Q
A
R
W
L
S
D
G
N
I
E
Y
L
G
R
I
D
N
Q
V
K
I
R
G
H
R
V
E
L
E
E
V
E
S
I
L
L
K
H
M
Y
I
S
E
T
A
V
S
V
H
K
D
H
Q
E
Q
P
Y
L
C
A
Y
F
V
--
S
E
K
H
I
P
L
E
Q
L
R
Q
F
S
S
E
E
L
P
T
Y
M
I
P
S
Y
F
I
Q
L
D
K
M
P
L
T
S
N
G
K
I
D
R
K
Q
L
P
E
P
D
L
T
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
45.44
40%
-111
- C1 -
4D57
5
?
A:
[31-516]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
H
Q
L
F
E
T
Q
V
E
R
T
P
E
A
V
A
V
L
S
E
Q
G
Q
L
T
Y
E
E
L
N
T
K
A
N
Q
L
A
H
Y
L
R
T
L
G
V
K
S
E
T
L
V
G
V
C
V
D
R
S
L
E
M
V
I
G
L
L
A
I
L
K
A
G
G
A
Y
V
P
L
D
P
T
Y
P
R
E
R
L
T
Y
M
V
Q
D
A
Q
I
S
V
L
V
T
Q
T
Q
W
S
N
L
I
S
D
Y
Q
--
G
Q
V
I
C
L
D
S
Q
----
W
A
K
I
A
S
----
Y
S
Q
E
N
L
V
N
T
V
N
P
E
N
-
L
A
Y
V
I
Y
T
S
G
S
T
G
K
P
K
G
V
M
I
E
H
Q
S
L
V
N
F
-
T
K
L
A
I
A
Q
Y
Q
I
T
T
S
D
R
T
L
Q
F
V
S
I
S
F
D
V
A
A
E
E
I
Y
V
T
L
C
S
G
A
T
L
I
L
R
T
E
E
M
I
S
S
I
P
S
F
V
Q
K
S
Q
D
W
Q
I
T
V
W
S
L
P
T
A
Y
W
H
L
L
V
N
E
L
V
K
S
K
I
A
L
P
D
S
L
R
L
V
I
I
G
G
E
-
R
V
-
Q
P
E
L
V
R
M
W
F
K
N
V
G
N
F
P
E
L
I
N
V
Y
G
P
T
E
G
T
I
A
V
S
LCRL
S
Q
L
T
--
E
S
--
Q
-
R
N
R
T
E
I
P
I
G
K
S
L
G
E
N
I
S
V
Y
V
L
D
E
--
T
L
K
T
V
P
P
E
T
P
G
E
I
Y
I
G
G
T
A
L
A
R
G
Y
L
N
R
P
E
L
T
A
Q
K
F
I
Q
D
P
F
S
P
S
E
--
R
L
Y
K
T
G
D
L
G
R
Y
L
A
D
G
N
L
E
Y
L
G
R
V
D
H
Q
V
K
I
N
G
F
R
V
E
L
G
E
I
E
T
V
L
L
Q
H
H
Q
V
A
Q
A
V
V
I
D
R
-------
R
L
V
A
Y
L
V
P
H
S
T
E
E
N
L
T
V
T
L
Q
Q
F
L
K
N
K
L
P
S
Y
M
I
P
A
T
F
V
V
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
45.21
40%
-110
- C1 -
4D4G
4
?
A:
[31-514]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
H
Q
L
F
E
T
Q
V
E
R
T
P
E
A
V
A
V
L
S
E
Q
G
Q
L
T
Y
E
E
L
N
T
K
A
N
Q
L
A
H
Y
L
R
T
L
G
V
K
S
E
T
L
V
G
V
C
V
D
R
S
L
E
M
V
I
G
L
L
A
I
L
K
A
G
G
A
Y
V
P
L
D
P
T
Y
P
R
E
R
L
T
Y
M
V
Q
D
A
Q
I
S
V
L
V
T
Q
T
Q
W
S
N
L
I
S
D
Y
Q
--
G
Q
V
I
C
L
D
S
Q
----
W
A
K
I
A
S
----
Y
S
Q
E
N
L
V
N
T
V
N
P
E
N
-
L
A
Y
V
I
Y
T
S
G
S
T
G
K
P
K
G
V
M
I
E
H
Q
S
L
V
N
F
-
T
K
L
A
I
A
Q
Y
Q
I
T
T
S
D
R
T
L
Q
F
V
S
I
S
F
D
V
A
A
E
E
I
Y
V
T
L
C
S
G
A
T
L
I
L
R
T
E
E
M
I
S
S
I
P
S
F
V
Q
K
S
Q
D
W
Q
I
T
V
W
S
L
P
T
A
Y
W
H
L
L
V
N
E
L
V
K
S
K
I
A
L
P
D
S
L
R
L
V
I
I
G
G
E
-
R
V
-
Q
P
E
L
V
R
M
W
F
K
N
V
G
N
F
P
E
L
I
N
V
Y
G
P
T
E
G
T
I
A
V
S
LCRL
S
Q
L
T
--
E
S
--
Q
-
R
N
R
T
E
I
P
I
G
K
S
L
G
E
N
I
S
V
Y
V
L
D
E
--
T
L
K
T
V
P
P
E
T
P
G
E
I
Y
I
G
G
T
A
L
A
R
G
Y
L
N
R
P
E
L
T
A
Q
K
F
I
Q
D
P
F
S
P
S
E
--
R
L
Y
K
T
G
D
L
G
R
Y
L
A
D
G
N
L
E
Y
L
G
R
V
D
H
Q
V
K
I
N
G
F
R
V
E
L
G
E
I
E
T
V
L
L
Q
H
H
Q
V
A
Q
A
V
V
I
D
R
-------
R
L
V
A
Y
L
V
P
H
S
T
E
E
N
L
T
V
T
L
Q
Q
F
L
K
N
K
L
P
S
Y
M
I
P
A
T
F
V
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
44.50
40%
-113
- C1 -
4D56
5
?
A:
[31-516]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
H
Q
L
F
E
T
Q
V
E
R
T
P
E
A
V
A
V
L
S
E
Q
G
Q
L
T
Y
E
E
L
N
T
K
A
N
Q
L
A
H
Y
L
R
T
L
G
V
K
S
E
T
L
V
G
V
C
V
D
R
S
L
E
M
V
I
G
L
L
A
I
L
K
A
G
G
A
Y
V
P
L
D
P
T
Y
P
R
E
R
L
T
Y
M
V
Q
D
A
Q
I
S
V
L
V
T
Q
T
Q
W
S
N
L
I
S
D
Y
Q
--
G
Q
V
I
C
L
D
S
Q
----
W
A
K
I
A
S
----
Y
S
Q
E
N
L
V
N
T
V
N
P
E
N
-
L
A
Y
V
I
Y
T
S
G
S
T
G
K
P
K
G
V
M
I
E
H
Q
S
L
V
N
F
-
T
K
L
A
I
A
Q
Y
Q
I
T
T
S
D
R
T
L
Q
F
V
S
I
S
F
D
V
A
A
E
E
I
Y
V
T
L
C
S
G
A
T
L
I
L
R
T
E
E
M
I
S
S
I
P
S
F
V
Q
K
S
Q
D
W
Q
I
T
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W
S
L
P
T
A
Y
W
H
L
L
V
N
E
L
V
K
S
K
I
A
L
P
D
S
L
R
L
V
I
I
G
G
E
-
R
V
-
Q
P
E
L
V
R
M
W
F
K
N
V
G
N
F
P
E
L
I
N
V
Y
G
P
T
E
G
T
I
A
V
S
LCRL
S
Q
L
T
--
E
S
--
Q
-
R
N
R
T
E
I
P
I
G
K
S
L
G
E
N
I
S
V
Y
V
L
D
E
--
T
L
K
T
V
P
P
E
T
P
G
E
I
Y
I
G
G
T
A
L
A
R
G
Y
L
N
R
P
E
L
T
A
Q
K
F
I
Q
D
P
F
S
P
S
E
--
R
L
Y
K
T
G
D
L
G
R
Y
L
A
D
G
N
L
E
Y
L
G
R
V
D
H
Q
V
K
I
N
G
F
R
V
E
L
G
E
I
E
T
V
L
L
Q
H
H
Q
V
A
Q
A
V
V
I
D
R
-------
R
L
V
A
Y
L
V
P
H
S
T
E
E
N
L
T
V
T
L
Q
Q
F
L
K
N
K
L
P
S
Y
M
I
P
A
T
F
V
V
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
43.49
40%
-111
- C1 -
4D4I
4
?
A:
[31-515]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
I
H
Q
L
F
E
T
Q
V
E
R
T
P
E
A
V
A
V
L
S
E
Q
G
Q
L
T
Y
E
E
L
N
T
K
A
N
Q
L
A
H
Y
L
R
T
L
G
V
K
S
E
T
L
V
G
V
C
V
D
R
S
L
E
M
V
I
G
L
L
A
I
L
K
A
G
G
A
Y
V
P
L
D
P
T
Y
P
R
E
R
L
T
Y
M
V
Q
D
A
Q
I
S
V
L
V
T
Q
T
Q
W
S
N
L
I
S
D
Y
Q
--
G
Q
V
I
C
L
D
S
Q
----
W
A
K
I
A
S
----
Y
S
Q
E
N
L
V
N
T
V
N
P
E
N
-
L
A
Y
V
I
Y
T
S
G
S
T
G
K
P
K
G
V
M
I
E
H
Q
S
L
V
N
F
-
T
K
L
A
I
A
Q
Y
Q
I
T
T
S
D
R
T
L
Q
F
V
S
I
S
F
D
V
A
A
E
E
I
Y
V
T
L
C
S
G
A
T
L
I
L
R
T
E
E
M
I
S
S
I
P
S
F
V
Q
K
S
Q
D
W
Q
I
T
V
W
S
L
P
T
A
Y
W
H
L
L
V
N
E
L
V
K
S
K
I
A
L
P
D
S
L
R
L
V
I
I
G
G
E
-
R
V
-
Q
P
E
L
V
R
M
W
F
K
N
V
G
N
F
P
E
L
I
N
V
Y
G
P
T
E
G
T
I
A
V
S
L
C
RL
S
Q
L
T
--
E
S
--
Q
-
R
N
R
T
E
I
P
I
G
K
S
L
G
E
N
I
S
V
Y
V
L
D
E
--
T
L
K
T
V
P
P
E
T
P
G
E
I
Y
I
G
G
T
A
L
A
R
G
Y
L
N
R
P
E
L
T
A
Q
K
F
I
Q
D
P
F
S
P
S
E
--
R
L
Y
K
T
G
D
L
G
R
Y
L
A
D
G
N
L
E
Y
L
G
R
V
D
H
Q
V
K
I
N
G
F
R
V
E
L
G
E
I
E
T
V
L
L
Q
H
H
Q
V
A
Q
A
V
V
I
D
R
-------
R
L
V
A
Y
L
V
P
H
S
T
E
E
N
L
T
V
T
L
Q
Q
F
L
K
N
K
L
P
S
Y
M
I
P
A
T
F
V
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
43.17
31%
-90
- C1 -
4DG9
1
?
A:
[18-566]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
S
L
L
D
L
Y
A
H
P
T
V
V
A
R
F
S
E
M
A
A
L
H
P
H
R
E
A
I
R
D
R
F
G
S
V
D
Y
R
Q
L
L
D
S
A
E
Q
L
S
D
Y
L
L
E
H
Y
P
Q
P
G
V
C
L
G
V
Y
G
E
Y
S
R
E
S
I
T
C
L
L
A
I
L
L
S
G
H
H
Y
L
Y
I
D
L
K
Q
P
A
A
W
N
A
E
L
C
R
Q
V
D
C
R
L
I
L
D
C
S
T
T
P
T
P
A
N
G
L
P
C-
V
P
V
R
H
L
------------
P
----
A
A
P
A
S
V
A
R
P
C
F
A
A
D
Q
I
A
Y
I
N
F
S
S
G
T
T
G
R
P
K
A
I
A
C
T
H
A
G
I
T
R
L
-
C
L
G
Q
-
S
F
L
A
F
A
P
Q
M
R
F
L
V
N
S
P
L
S
F
D
A
A
T
L
E
I
W
G
A
L
L
N
G
G
C
C
V
-
L
N
D
L
G
P
L
D
P
G
V
L
R
Q
L
I
G
E
R
G
A
D
S
A
W
L
T
A
S
----
L
F
N
T
L
V
D
L
D
P
D
C
L
G
G
L
R
Q
L
L
T
G
G
D
-
I
L
S
V
P
H
-
V
R
R
-
A
L
L
R
H
P
R
L
H
L
V
N
G
Y
G
P
T
E
N
T
T
F
T
C
----
C
H
V
V
T
D
D
D
--
L
-
E
E
D
D
-
I
P
I
G
K
A
I
A
-
G
T
A
V
L
L
L
D
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HG
Q
E
I
A
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D
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A
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G
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A
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G
A
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L
A
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Y
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N
D
A
A
R
T
R
A
S
F
V
E
L
P
Y
R
-
G
R
L
L
R
A
Y
R
T
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D
R
A
R
Y
D
E
Q
G
R
L
R
F
I
G
R
G
D
G
Q
V
K
L
N
G
Y
R
L
D
L
P
A
L
E
Q
R
F
R
R
Q
P
G
I
L
D
C
A
L
L
V
R
E
R
N
G
V
K
Q
L
L
C
A
W
-
T
--
G
K
A
D
A
S
----
P
Q
A
L
L
R
Q
L
P
T
W
Q
R
P
H
A
C
V
R
V
E
A
L
P
L
T
A
H
G
K
L
D
R
A
A
L
L
R
R
L
-
E
----------
L
D
P
D
Q
R
G
C
A
Q
L
W
S
E
L
L
G
C
E
-
V
-
G
A
--
D
F
F
L
C
G
G
N
S
L
L
A
L
Q
L
V
A
L
C
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
42.04
31%
-101
- C1 -
4DG8
3
?
A:
[17-515]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
N
S
L
L
D
L
Y
A
H
P
T
V
V
A
R
F
S
E
M
A
A
L
H
P
H
R
E
A
I
R
D
R
F
G
S
V
D
Y
R
Q
L
L
D
S
A
E
Q
L
S
D
Y
L
L
E
H
Y
P
Q
P
G
V
C
L
G
V
Y
G
E
Y
S
R
E
S
I
T
C
L
L
A
I
L
L
S
G
H
H
Y
L
Y
I
D
L
K
Q
P
A
A
W
N
A
E
L
C
R
Q
V
D
C
R
L
I
L
D
C
S
T
T
P
T
P
A
N
G
L
P
C-
V
P
V
R
H
L
------------
P
----
A
A
P
A
S
V
A
R
P
C
F
A
A
D
Q
I
A
Y
I
N
F
S
S
G
T
T
G
R
P
K
A
I
A
C
T
H
A
G
I
T
R
L
-
C
L
G
Q
-
S
F
L
A
F
A
P
Q
M
R
F
L
V
N
S
P
L
S
F
D
A
A
T
L
E
I
W
G
A
L
L
N
G
G
C
C
V
-
L
N
D
L
G
P
L
D
P
G
V
L
R
Q
L
I
G
E
R
G
A
D
S
A
W
L
T
A
S
----
L
F
N
T
L
V
D
L
D
P
D
C
L
G
G
L
R
Q
L
L
T
G
G
D
-
I
L
S
V
P
H
-
V
R
R
-
A
L
L
R
H
P
R
L
H
L
V
N
G
Y
G
P
T
E
N
T
T
F
T
C
----
C
H
V
V
T
D
D
D
--
L
-
E
E
D
D
-
I
P
I
G
K
A
I
A
-
G
T
A
V
L
L
L
D
E
HG
Q
E
I
A
E
P
D
R
A
-
G
E
I
V
A
F
G
A
G
L
A
Q
G
Y
R
N
D
A
A
R
T
R
A
S
F
V
E
L
P
Y
R
-
G
R
L
L
R
A
Y
R
T
G
D
R
A
R
Y
D
E
Q
G
R
L
R
F
I
G
R
G
D
G
Q
V
K
L
N
G
Y
R
L
D
L
P
A
L
E
Q
R
F
R
R
Q
P
G
I
L
D
C
A
L
L
V
R
E
R
N
G
V
K
Q
L
L
C
A
W
-
T
--
G
K
A
D
A
S
----
P
Q
A
L
L
R
Q
L
P
T
W
Q
R
P
H
A
C
V
R
V
E
A
L
P
L
T
----
L
D
R
A
A
L
L
R
R
L
-
E
E
P
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------