@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 : LRRK2_HUMAN: (2015-10-12 )
MASGSCQGCEEDEETLKKLIVRLNNVQEGKQIETLVQILEDLLVFTYSERASKLFQGKNIHVPLLIVLDSYMRVASVQQVGWSLLCKLIEVCPGTMQSLMGPQDVGNDWEVLGVHQLILKMLTVHNASVNLSVIGLKTLDLLLTSGKITLLILDEESDIFMLIFDAMHSFPANDEVQKLGCKALHVLFERVSEEQLTEFVENKDYMILLSALTNFKDEEEIVLHVLHCLHSLAIPCNNVEVLMSGNVRCYNIVVEAMKAFPMSERIQEVSCCLLHRLTLGNFFNILVLNEVHEFVVKAVQQYPENAALQISALSCLALLTETIFLNQDLEEKNENQENDDEGEEDKLFWLEACYKALTWHRKNKHVQEAACWALNNLLMYQNSLHEKIGDEDGHFPAHREVMLSMLMHSSSKEVFQASANALSTLLEQNVNFRKILLSKGIHLNVLELMQKHIHSPEVAESGCKMLNHLFEGSNTSLDIMAAVVPKILTVMKRHETSLPVQLEALRAILHFIVPGMPEESREDTEFHHKLNMVKKQCFKNDIHKLVLAALNRFIGNPGIQKCGLKVISSIVHFPDALEMLSLEGAMDSVLHTLQMYPDDQEIQCLGLSLIGYLITKKNVFIGTGHLLAKILVSSLYRFKDVAEIQTKGFQTILAILKLSASFSKLLVHHSFDLVIFHQMSSNIMEQKDQQFLNLCCKCFAKVAMDDYLKNVMLERACDQNNSIMVECLLLLGADANQAKEGSSLICQVCEKESSPKLVELLLNSGSREQDVRKALTISIGKGDSQIISLLLRRLALDVANNSICLGGFCIGKVEPSWLGPLFPDKTSNLRKQTNIASTLARMVIRYQMKSAVEEGTASGSDGNFSEDVLSKFDEWTFIPDSSMDSVFAQSDDLDSEGSEGSFLVKKKSNSISVGEFYRDAVLQRCSPNLQRHSNSLGPIFDHEDLLKRKRKILSSDDSLRSSKLQSHMRHSDSISSLASEREYITSLDLSANELRDIDALSQKCCISVHLEHLEKLELHQNALTSFPQQLCETLKSLTHLDLHSNKFTSFPSYLLKMSCIANLDVSRNDIGPSVVLDPTVKCPTLKQFNLSYNQLSFVPENLTDVVEKLEQLILEGNKISGICSPLRLKELKILNLSKNHISSLSENFLEACPKVESFSARMNFLAAMPFLPPSMTILKLSQNKFSCIPEAILNLPHLRSLDMSSNDIQYLPGPAHWKSLNLRELLFSHNQISILDLSEKAYLWSRVEKLHLSHNKLKEIPPEIGCLENLTSLDVSYNLELRSFPNEMGKLSKIWDLPLDELHLNFDFKHIGCKAKDIIRFLQQRLKKAVPYNRMKLMIVGNTGSGKTTLLQQLMKTKKSDLGMQSATVGIDVKDWPIQIRDKRKRDLVLNVWDFAGREEFYSTHPHFMTQRALYLAVYDLSKGQAEVDAMKPWLFNIKARASSSPVILVGTHLDVSDEKQRKACMSKITKELLNKRGFPAIRDYHFVNATEESDALAKLRKTIINESLNFKIRDQLVVGQLIPDCYVELEKIILSERKNVPIEFPVIDRKRLLQLVRENQLQLDENELPHAVHFLNESGVLLHFQDPALQLSDLYFVEPKWLCKIMAQILTVKVEGCPKHPKGIISRRDVEKFLSKKRKFPKNYMSQYFKLLEKFQIALPIGEEYLLVPSSLSDHRPVIELPHCENSEIIIRLYEMPYFPMGFWSRLINRLLEISPYMLSGRERALRPNRMYWRQGIYLNWSPEAYCLVGSEVLDNHPESFLKITVPSCRKGCILLGQVVDHIDSLMEEWFPGLLEIDICGEGETLLKKWALYSFNDGEEHQKILLDDLMKKAEEGDLLVNPDQPRLTIPISQIAPDLILADLPRNIMLNNDELEFEQAPEFLLGDGSFGSVYRAAYEGEEVAVKIFNKHTSLRLLRQELVVLCHLHHPSLISLLAAGIRPRMLVMELASKGSLDRLLQQDKASLTRTLQHRIALHVADGLRYLHSAMIIYRDLKPHNVLLFTLYPNAAIIAKIADYGIAQYCCRMGIKTSEGTPGFRAPEVARGNVIYNQQADVYSFGLLLYDILTTGGRIVEGLKFPNEFDELEIQGKLPDPVKEYGCAPWPMVEKLIKQCLKENPQERPTSAQVFDILNSAELVCLTRRILLPKNVIVECMVATHHNSRNASIWLGCGHTDRGQLSFLDLNTEGYTSEEVADSRILCLALVHLPVEKESWIVSGTQSGTLLVINTEDGKKRHTLEKMTDSVTCLYCNSFSKQSKQKNFLLVGTADGKLAIFEDKTVKLKGAAPLKILNIGNVSTPLMCLSESTNSTERNVMWGGCGTKIFSFSNDFTIQKLIETRTSQLFSYAAFSDSNIITVVVDTALYIAKQNSPVVEVWDKKTEKLCGLIDCVHFLREVMVKENKESKHKMSYSGRVKTLCLQKNTALWIGTGGGHILLLDLSTRRLIRVIYNFCNSVRVMMTAQLGSLKNVMLVLGYNRKNTEGTQKQKEIQSCLTVWDINLPHEVQNLEKHIEVRKELAEKMRRTSVE
Atome Classification :
(9 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....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MASGSCQGCE
E
D
E
E
T
L
K
K
L
I
V
R
L
NNVQE
G
K
Q
I
E
T
L
V
Q
I
L
E
D
L
L
V
F
T
Y
S
E
R
A
S
K
L
FQGKNI
H
V
P
L
L
I
V
L
D
S
Y
M
R
V
A
S
V
Q
Q
V
G
W
S
L
L
C
K
L
I
E
VC
P
G
T
M
Q
S
LMGPQDVGND
W
E
V
L
G
V
H
Q
L
I
L
K
M
L
T
VHNA
S
V
N
L
S
V
I
G
L
K
T
L
D
L
L
LTSG
K
I
T
L
L
I
LDEESD
I
F
M
L
I
F
D
A
M
HSFPAN
D
E
V
Q
K
L
G
C
K
A
L
H
V
L
F
E
RV
S
E
E
Q
L
T
E
F
V
ENK
D
Y
M
I
L
L
S
A
LTNFK
D
E
E
E
I
V
L
H
V
L
H
C
L
H
S
LAIPCN
N
V
E
V
L
MSGNV
R
C
Y
N
I
V
V
E
A
M
K
AF
P
M
S
E
R
I
Q
E
V
S
C
C
L
L
H
R
L
T
L
G
N
F
F
N
I
L
V
L
N
E
V
H
E
F
V
V
K
A
V
Q
QYPENA
A
L
Q
I
S
A
L
S
C
L
A
L
L
T
E
T
I
FLNQ
D
L
E
EKNENQENDDEGEEDK
L
F
W
L
E
A
C
Y
K
A
L
T
W
HRKN
K
H
V
Q
E
A
A
C
W
A
L
N
N
L
L
M
Y
Q
N
S
L
H
E
KIGDEDGHF
P
A
H
R
E
V
M
L
S
M
L
M
HSS
S
K
E
V
F
Q
A
S
A
N
A
L
S
T
L
L
E
QNV
N
F
R
K
I
L
L
SKGI
H
L
N
V
L
E
L
M
Q
K
HIHS
P
E
V
A
E
S
G
C
K
M
L
N
H
L
FEGSNT
S
L
D
I
M
A
A
V
V
P
K
I
L
T
V
M
K
RHETSLP
V
Q
L
E
A
L
R
A
I
L
H
F
IVPGMPEESRE
D
T
E
F
H
H
K
L
N
M
V
K
K
Q
C
F
K
N
D
I
H
K
L
V
L
A
A
L
N
R
F
IGNP
G
I
Q
K
C
G
L
K
V
I
S
S
I
VHFP
D
A
L
E
M
L
S
L
E
G
A
M
D
S
V
L
H
T
L
Q
MYPDDQ
E
I
Q
C
L
G
L
S
L
I
G
Y
L
ITKK
N
V
F
IG
T
G
H
L
L
A
K
I
L
V
S
S
L
Y
R
F
K
D
V
A
E
I
Q
TK
G
F
Q
T
I
L
A
I
L
K
L
S
A
S
F
S
K
L
L
V
HHSF
D
L
V
I
F
H
Q
M
S
S
N
I
M
E
Q
K
D
Q
Q
F
L
N
L
C
C
K
C
F
A
K
V
A
M
D
D
Y
L
K
N
V
M
L
E
R
ACDQNN
S
I
M
V
E
C
L
L
L
LGADANQAK
E
G
S
S
L
I
C
Q
V
C
EKESS
P
K
L
V
E
L
L
L
NSGS
R
E
Q
D
V
R
K
A
L
T
I
S
IGKG
D
S
Q
I
I
S
L
L
L
R
R
L
A
L
D
VANN
S
I
C
L
G
G
F
C
IGKV
E
P
S
WLGPLFPDKTS
N
L
R
K
Q
T
N
I
A
S
T
L
A
R
M
V
I
R
Y
Q
M
K
S
A
V
E
EGTASGSDGNF
S
E
D
V
L
S
KFD
E
W
T
FIPDS
S
M
D
S
V
FAQSDDLDSEGSEG
S
F
L
V
K
KKSNSI
S
V
G
E
F
Y
R
D
A
V
L
Q
RCS
P
N
L
Q
R
HSNSLGPIF
D
H
E
D
L
L
K
R
K
R
K
I
LSSD
D
S
L
R
S
S
K
L
Q
S
H
M
RHS
D
S
I
S
S
L
A
SE
R
E
Y
I
TSLDL
S
A
N
E
L
R
D
I
D
A
L
S
Q
KC
C
I
S
V
H
L
E
H
L
E
K
L
E
L
H
Q
N
A
L
T
S
F
P
Q
Q
L
C
E
T
L
K
S
L
T
HLDLHSNKFT
S
F
P
S
Y
L
L
K
M
S
C
IANLDVSRNDIGP
S
V
VLDPTVKCPT
L
K
QFNLSYNQLSFVP
E
N
L
T
D
V
V
E
K
L
E
Q
L
I
LEGNKISGICSP
L
R
L
K
E
L
K
I
L
NL
S
K
N
H
I
S
S
L
S
E
N
F
L
E
ACPK
V
E
S
F
S
A
R
M
N
F
L
A
AMPFLPPS
M
T
I
L
K
LSQNKF
S
C
I
P
E
A
I
LNLPHLRSLDMSSNDIQYLPGPAHWKSL
N
L
R
E
L
L
FSHN
Q
I
S
I
L
DLS
E
K
A
Y
L
W
S
R
V
E
K
L
HLSH
N
K
L
K
EIPPEI
G
C
L
E
N
LTSL
D
V
S
Y
N
L
E
L
R
S
F
P
N
E
MG
K
L
S
K
I
WDL
P
L
D
E
L
H
L
N
F
D
F
K
HIGC
K
A
K
D
I
I
R
F
L
Q
Q
R
L
K
KAVPYN
R
M
K
L
M
I
V
GNTGS
G
K
T
T
L
L
Q
Q
L
M
K
T
K
K
SDLGMQ
S
A
T
V
G
I
DVKDW
P
I
Q
IRDKRKR
D
L
V
L
N
VWDFA
G
R
E
E
F
YSTH
P
H
F
M
T
Q
R
A
L
Y
L
A
V
Y
DLSKGQ
A
E
V
D
AMK
P
W
L
F
N
I
K
ARASSS
P
V
I
L
V
GTHLDV
S
D
E
K
Q
R
K
A
C
M
S
K
I
T
K
E
L
L
NKRGFPAI
R
D
Y
H
F
VNATE
E
S
D
A
L
A
K
L
R
K
T
I
INESL
N
F
K
I
R
D
Q
L
V
V
G
Q
L
I
P
D
C
Y
V
E
L
E
K
I
I
L
S
ERKNVPIEFPVI
D
R
K
R
L
L
Q
L
V
R
ENQLQLDENEL
P
H
A
V
H
F
LNES
G
V
L
L
H
FQDPA
L
Q
LS
D
L
Y
F
V
E
P
K
W
L
C
K
I
M
A
Q
I
L
T
V
K
VEGCPKH
P
K
G
I
I
S
R
R
D
V
E
K
F
L
S
K
K
RKF
P
K
N
Y
M
S
Q
Y
F
K
L
L
E
K
F
Q
I
ALPIGE
E
Y
L
LVPSSLSDHRP
V
I
ELPHCENS
E
I
I
I
R
L
YEMPYF
P
M
G
F
W
S
R
L
I
N
R
L
L
EIS
P
Y
MLSG
R
E
RALRPNR
M
Y
WRQ
G
I
Y
L
NWSP
E
A
Y
C
L
V
G
S
E
V
L
DNH
P
E
S
F
L
K
I
TVPSCR
K
G
C
I
L
L
G
Q
V
V
D
H
I
D
S
L
M
E
E
WFPG
L
L
E
I
D
ICGE
G
E
T
L
L
K
K
W
ALYSFND
G
E
E
H
Q
K
I
L
L
D
D
L
M
K
KAEEG
D
L
L
VNPDQ
P
R
L
T
I
P
I
S
QI
A
P
D
L
I
L
A
DLPR
N
I
M
LNNDEL
E
F
E
QAPE
F
L
LGDGSF
G
S
V
Y
R
AAYEG
E
--
E
V
A
V
K
I
-----FNK
H
T
-
S
L
---
R
L
L
R
Q
E
L
V
V
L
CHL-H
H
P
S
L
I
S
L
L
A
A-GIR--
P
R
M
L
--
V
M
E
L
A
SK
G
S
L
------
D
R
L
L
Q
Q
D
K
A
-----
S
L
T
R
T
L
Q
H
-
R
I
A
L
H
----
V
A
D
G
L
R
Y
L
H
--
S
A
M
I
I
YRDLKPH
N
V
L
L
F
T
LYPNA
A
I
I
A
K
I
A
DY
G
I
A
----
Q
Y
C
C
R--MGIKTSEGTPGFRAPEVARG
N
V
-
I
Y
NQ---QA
D
V
Y
S
F
G
L
L
L
Y
D
I
L
T--------TGG
R
I
VEGLKFPNEFD
E
L
E
I
QGKLPD
P
V
K
EYGCA
P
W
P
M
V
E
K
L
I
K
Q
C
L
KENPQERPT
S
A
Q
V
F
D
I
LNS
A
E
L
V
C
L
T
R
R
ILL
P
K
N
V
I
V
E
C
M
V
ATHHNSRN
A
S
I
W
L
GCGHTDRG
Q
L
S
F
L
D
LNTEGY
T
S
E
E
VADS
R
I
L
C
L
A
L
V
HLPVEKE
S
W
I
V
SGTQS
G
T
L
L
V
I
NTEDGKKRH
T
L
E
K
MTD
S
V
T
C
L
Y
CNSFSKQSKQK
N
F
L
L
V
GTAD
G
K
L
A
I
F
ED
K
T
V
K
LKGAA
P
L
K
I
L
N
IGNVST
P
L
M
C
LSESTNSTER
N
V
M
WGGCG
T
K
I
F
SFSND
F
T
I
Q
K
L
I
E
T
R
T
S
Q
L
F
S
Y
AAFSDS
N
I
I
T
V
V
VD
T
A
L
Y
I
AKQNSP
V
V
E
V
W
D
K
K
T
E
K
L
C
G
L
I
D
C
V
H
F
L
R
E
V
M
V
KENKESKHKMSYSG
R
V
K
T
L
C
L
QKN
T
A
L
W
I
GTGG
G
H
I
L
L
L
DL
S
T
R
R
L
I
R
V
I
Y
N
F
C
N
S
V
R
V
M
M
T
A
Q
LGSL
K
N
V
M
L
V
L
GYNRKNTEG
T
Q
K
Q
K
E
I
Q
S
C
L
T
VWDINL
P
H
E
V
Q
N
L
E
K
H
I
E
V
R
K
E
L
A
E
K
M
R
RTSVE
3
PsiBlast_PDB
50.69
31%
-15
- C2 -
3P86
1
CTR1_ARATH
A:
[45-293]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
G
A
G
S
F
G
T
V
H
R
A
E
W
H
G
S
--
D
V
A
V
K
I
L
MEQD
F
H
A
E
R
-
V
N
---
E
F
L
R
-
E
V
A
I
M
K
R
L
-
R
H
P
N
I
V
L
F
M
G
A
-
V
T
Q
--
P
P
N
L
S
I
V
T
E
Y
L
S
R
G
S
L
------
Y
R
L
L
H
K
S
G
A
R
E
---
Q
L
D
E
R
R
R
L
-
S
M
A
Y
D
----
V
A
K
G
M
N
Y
L
H
N
R
N
P
P
I
V
H
R
N
L
K
S
P
N
L
L
V
D
K
K
Y
-----
T
V
K
V
C
D
F
---------------------
G
T
P
E
W
M
A
P
E
V
L
R
-
D
E
-
P
S
N
E
---
K
S
D
V
Y
S
F
G
V
I
L
W
E
L
A
T
LQQPWGNL
N
P
A
Q
V
V
A
A
V
G
F
--
K
C
K
R
L
E
I
P
R
N
L
N
-----------
P
Q
V
A
A
I
I
E
G
C
W
T
N
E
P
W
K
R
P
S
F
A
T
I
M
D
L
L
R
P
L
I
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
50.20
30%
1
- C2 -
4CSV
1
?
A:
[19-266]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
G
S
G
Q
F
G
E
V
Y
E
G
K
W
R
N
Y
N
I
E
V
A
V
K
T
-----
L
K
E
G
T
M
S
V
---
E
E
F
L
Q
E
A
Q
I
M
K
K
L
-
K
H
P
N
L
V
Q
L
Y
G
V
-
C
T
K
EP
P
I
Y
I
--
I
T
E
Y
M
S
H
G
S
L
L
-----
D
Y
L
R
D
C
---------
V
N
A
Q
A
L
L
-
D
M
A
A
Q
----
V
A
S
G
M
A
Y
L
E
--
S
Q
N
F
I
H
R
D
L
A
A
R
N
C
L
V
-----
G
E
N
N
V
V
K
V
A
D
F
G
-----------------
F
P
---
I
K
W
T
A
P
E
A
I
S
Y
N
R
--
F
S
I
---
K
S
D
V
W
A
F
G
I
L
L
W
E
I
F
T
--------
Y
G
Q
V
P
Y
P
G
M
S
G
S
E
V
I
E
Q
V
E
R
G
Y
R
M
P
R
P
---
Q
G
C
P
--
E
E
I
Y
E
L
M
L
Q
C
W
N
K
S
P
E
E
R
P
T
F
A
E
T
L
H
A
L
E
T
M
F
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
49.12
32%
-16
- C2 -
3PPZ
1
CTR1_ARATH
A:
[45-293]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
G
A
G
S
F
G
T
V
H
R
A
E
W
H
G
S
--
D
V
A
V
K
I
L
ME----
A
E
R
-
V
N
---
E
F
L
R
-
E
V
A
I
M
K
R
L
-
R
H
P
N
I
V
L
F
M
G
A
-
V
T
Q
--
P
P
N
L
S
I
V
T
E
Y
L
S
R
G
S
L
------
Y
R
L
L
H
K
S
G
A
RE---
Q
L
D
E
R
R
R
L
-
S
M
A
Y
D
----
V
A
K
G
M
N
Y
L
H
N
R
N
P
P
I
V
H
R
D
L
K
S
P
N
L
L
V
D
K
K
Y
-----
T
V
K
V
C
D
F
G
L
S
----
R
L
K
A
S
TF
L
S
S
K
S
A
A
G
T
P
E
W
M
A
P
E
V
L
R
-
D
E
-
P
S
N
E
---
K
S
D
V
Y
S
F
G
V
I
L
W
E
L
A
T
LQQPWG
N
L
N
P
A
Q
V
V
A
A
V
G
F
--
K
C
K
R
L
E
I
P
R
N
L
N
-----------
P
Q
V
A
A
I
I
E
G
C
W
T
N
E
P
W
K
R
P
S
F
A
T
I
M
D
L
L
R
P
L
I
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
47.30
31%
6
- C2 -
4MXY
1
SRC_HUMAN
B:
[23-261]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
K
L
G
Q
G
C
F
G
E
V
W
M
G
T
W
N
G
T
T
-
R
V
A
I
K
T
-----
L
K
P
G
T
M
S
P
---
E
A
F
L
Q
E
A
Q
V
L
K
K
L
-
R
H
E
K
L
V
Q
L
Y
A
V
V
S
E
E
--
P
I
Y
I
--
V
M
E
Y
M
S
K
G
S
L
------
L
D
F
L
K
G
E
T
G
-----
K
Y
L
R
L
P
Q
L
V
D
M
A
A
Q
----
I
A
S
G
M
A
Y
V
E
--
R
M
N
Y
V
H
R
D
L
R
A
A
N
I
L
V
-----
G
E
N
L
V
C
K
V
A
D
F
G
L
A
RLI------------
F
P
---
I
K
W
T
A
P
E
A
A
-----
L
Y
G
R
FT
I
K
S
D
V
W
S
F
G
I
L
L
T
E
L
T
T
--------
K
G
R
V
P
Y
P
G
M
V
N
R
E
V
L
D
Q
V
E
R
G
Y
R
M
P
C
P
P
E
---
C
P
--
E
S
L
H
D
L
M
C
Q
C
W
R
K
E
P
E
E
R
P
T
F
E
Y
L
Q
A
F
L
E
D
Y
F
T
S
T
E
P
Q
Y
Q
P
G
E
N
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
47.30
31%
6
- C2 -
4MXZ
1
SRC_HUMAN
B:
[23-261]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
K
L
G
Q
G
C
F
G
E
V
W
M
G
T
W
N
G
T
T
-
R
V
A
I
K
T
-----
L
K
P
G
T
M
S
P
---
E
A
F
L
Q
E
A
Q
V
L
K
K
L
-
R
H
E
K
L
V
Q
L
Y
A
V
V
S
E
E
--
P
I
Y
I
--
V
M
E
Y
M
S
K
G
S
L
------
L
D
F
L
K
G
E
T
G
-----
K
Y
L
R
L
P
Q
L
V
D
M
A
A
Q
----
I
A
S
G
M
A
Y
V
E
--
R
M
N
Y
V
H
R
D
L
R
A
A
N
I
L
V
-----
G
E
N
L
V
C
K
V
A
D
F
G
L
A
RLI------------
F
P
---
I
K
W
T
A
P
E
A
A
-----
L
Y
G
R
FT
I
K
S
D
V
W
S
F
G
I
L
L
T
E
L
T
T
--------
K
G
R
V
P
Y
P
G
M
V
N
R
E
V
L
D
Q
V
E
R
G
Y
R
M
P
C
P
P
E
---
C
P
--
E
S
L
H
D
L
M
C
Q
C
W
R
K
E
P
E
E
R
P
T
F
E
Y
L
Q
A
F
L
E
D
Y
F
T
S
T
E
P
Q
Y
Q
P
G
E
N
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
45.84
30%
4
- C2 -
4UEU
1
?
A:
[19-266]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
G
S
G
Q
F
G
E
V
Y
E
G
K
W
R
N
Y
N
I
E
V
A
V
K
T
-----
L
K
E
G
T
M
S
V
---
E
E
F
L
Q
E
A
Q
I
M
K
K
L
-
K
H
P
N
L
V
Q
L
Y
G
V
-
C
T
K
EP
P
I
Y
I
--
I
T
E
Y
M
S
H
G
S
L
L
-----
D
Y
L
R
D
C
E
G
H
-----
T
V
N
A
Q
A
L
L
-
D
M
A
A
Q
----
V
A
S
G
M
A
Y
L
E
--
S
Q
N
F
I
H
R
D
L
A
A
R
N
C
L
V
-----
G
E
N
N
V
V
K
V
A
D
F
G
L
A
RLI----------
A
K
F
P
---
I
K
W
T
A
P
E
A
I
S
Y
N
R
--
F
S
I
---
K
S
D
V
W
A
F
G
I
L
L
W
E
I
F
T
--------
Y
G
Q
V
P
Y
P
G
M
S
G
S
E
V
I
E
Q
V
E
R
G
Y
R
M
P
R
P
---
Q
G
C
P
--
E
E
I
Y
E
L
M
L
Q
C
W
N
K
S
P
E
E
R
P
T
F
A
E
T
L
H
A
L
E
T
M
F
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
42.92
31%
2
- C2 -
4MXY
1
SRC_HUMAN
A:
[23-261]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
K
L
G
Q
G
C
F
G
E
V
W
M
G
T
W
N
G
T
T
-
R
V
A
I
K
T
-----
L
K
P
G
T
M
S
P
---
E
A
F
L
Q
E
A
Q
V
L
K
K
L
-
R
H
E
K
L
V
Q
L
Y
A
V
V
S
E
E
--
P
I
Y
I
--
V
M
E
Y
M
S
K
G
S
L
------
L
D
F
L
K
G
E
T
G
-----
K
Y
L
R
L
P
Q
L
V
D
M
A
A
Q
----
I
A
S
G
M
A
Y
V
E
--
R
M
N
Y
V
H
R
D
L
R
A
A
N
I
L
V
-----
G
E
N
L
V
C
K
V
A
D
F
G
L
A
RLIE-----------
F
P
---
I
K
W
T
A
P
E
A
A
-----
L
Y
G
R
FT
I
K
S
D
V
W
S
F
G
I
L
L
T
E
L
T
T
--------
K
G
R
V
P
Y
P
G
M
V
N
R
E
V
L
D
Q
V
E
R
G
Y
R
M
P
C
P
P
E
---
C
P
--
E
S
L
H
D
L
M
C
Q
C
W
R
K
E
P
E
E
R
P
T
F
E
Y
L
Q
A
F
L
E
D
Y
F
T
S
T
E
P
Q
Y
Q
P
G
E
N
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
42.92
31%
2
- C2 -
4MXZ
1
SRC_HUMAN
A:
[23-261]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
V
K
L
G
Q
G
C
F
G
E
V
W
M
G
T
W
N
G
T
T
-
R
V
A
I
K
T
-----
L
K
P
G
T
M
S
P
---
E
A
F
L
Q
E
A
Q
V
L
K
K
L
-
R
H
E
K
L
V
Q
L
Y
A
V
V
S
E
E
--
P
I
Y
I
--
V
M
E
Y
M
S
K
G
S
L
------
L
D
F
L
K
G
E
T
G
-----
K
Y
L
R
L
P
Q
L
V
D
M
A
A
Q
----
I
A
S
G
M
A
Y
V
E
--
R
M
N
Y
V
H
R
D
L
R
A
A
N
I
L
V
-----
G
E
N
L
V
C
K
V
A
D
F
G
L
A
RLIE-----------
F
P
---
I
K
W
T
A
P
E
A
A
-----
L
Y
G
R
FT
I
K
S
D
V
W
S
F
G
I
L
L
T
E
L
T
T
--------
K
G
R
V
P
Y
P
G
M
V
N
R
E
V
L
D
Q
V
E
R
G
Y
R
M
P
C
P
P
E
---
C
P
--
E
S
L
H
D
L
M
C
Q
C
W
R
K
E
P
E
E
R
P
T
F
E
Y
L
Q
A
F
L
E
D
Y
F
T
S
T
E
P
Q
Y
Q
P
G
E
N
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
38.81
30%
15
- C2 -
2OSC
1
A:
[30-286]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
L
K
A
R
I
---M-
D
A
A
I
K
R
-----
M
K
-----
K
D
D
H
R
D
F
A
G
E
L
E
V
L
C
K
L
G
H
H
P
N
I
I
N
L
L
G
A
-
C
E
H
------YL
A
I
E
Y
A
P
H
G
N
L
L
D
F
L
R
K
S
R
V
L
E
T
D
P
A
F
A
I
A
N
S
T
A
S
T
L
S
S
-
Q
Q
L
L
H
F
A
A
D
V
A
R
G
M
D
Y
L
S
--
Q
K
Q
F
I
H
R
D
L
A
A
R
N
I
L
V
G
E
N
Y
-----
V
A
K
I
A
D
F
G
L
------------------
M
G
R
L
P
V
R
W
M
A
I
E
S
L
N
Y
S
V
Y
T
T
---
N
S
D
V
W
S
Y
G
V
L
L
W
E
I
V
S
--------
L
G
G
T
P
Y
C
G
M
T
C
A
E
L
Y
E
K
L
P
Q
G
Y
R
L
E
K
P
L
N
---
C
D
--
D
E
V
Y
D
L
M
R
Q
C
W
R
E
K
P
Y
E
R
P
S
F
A
Q
I
L
V
S
L
N
R
M
L
E
E
R
K
T
Y
V
N
T
T
L
Y
E
K
F
T
Y
A
G
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------