@TOME V2.3
(Nov 2016)
Ref.
-
-
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
Hide column
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 : Rv0938: (2016-04-27 )
MGSASEQRVTLTNADKVLYPATGTTKSDIFDYYAGVAEVMLGHIAGRPATRKRWPNGVDQPAFFEKQLALSAPPWLSRATVAHRSGTTTYPIIDSATGLAWIAQQAALEVHVPQWRFVAEPGSGELNPGPATRLVFDLDPGEGVMMAQLAEVARAVRDLLADIGLVTFPVTSGSKGLHLYTPLDEPVSSRGATVLAKRVAQRLEQAMPALVTSTMTKSLRAGKVFVDWSQNSGSKTTIAPYSLRGRTHPTVAAPRTWAELDDPALRQLSYDEVLTRIARDGDLLERLDADAPVADRLTRYRRMRDASKTPEPIPTAKPVTGDGNTFVIQEHHARRPHYDFRLECDGVLVSWAVPKNLPDNTSVNHLAIHTEDHPLEYATFEGAIPSGEYGAGKVIIWDSGTYDTEKFHDDPHTGEVIVNLHGGRISGRYALIRTNGDRWLAHRLKNQKDQKVFEFDNLAPMLATHGTVAGLKASQWAFEGKWDGYRLLVEADHGAVRLRSRSGRDVTAEYPQLRALAEDLADHHVVLDGEAVVLDSSGVPSFSQMQNRGRDTRVEFWAFDLLYLDGRALLGTRYQDRRKLLETLANATSLTVPELLPGDGAQAFACSRKHGWEGVIAKRRDSRYQPGRRCASWVKDKHWNTQEVVIGGWRAGEGGRSSGVGSLLMGIPGPGGLQFAGRVGTGLSERELANLKEMLAPLHTDESPFDVPLPARDAKGITYVKPALVAEVRYSEWTPEGRLRQSSWRGLRPDKKPSEVVRE
Atome Classification :
(20 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.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MGSAS
E
Q
R
V
T
LTNA
D
K
V
L
YPATGT
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
IAGRPATRKRWPNGVDQ
P
A
F
F
E
K
Q
LALSAPPWLS
R
A
T
V
AHR-SGT
T
T
Y
P
I
I-DSA
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
HVP
Q
W
R
F
--
V
AEPGSGELNPGP
A
T
R
L
V
F
DLDPGE
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
DIG
L
V
T
F
PVTSGSK
G
L
H
L
YTPLDEPVSSR
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
SLRA
G
K
V
F
V
DWSQNSGSK
T
T
I
A
P
Y
SLRGRTHPTVAAPRTWAELD
D
P
-
A
L
R
Q-L
S
Y
D
E
V
L
T
R
IAR
D
G
D
L
L
E
R
LDADA
P
V
A
D
R
L
T
R
Y
R
R
M
R
DASKTPEPIPTAKPVTGDG
N
T
F
V
I
QEHHARRPH
Y
D
F
R
L
ECD
G
V
L
V
S
WAVPKNLPDNTSV
N
H
L
A
I
HTEDHPL
E
Y
ATFEGAIPSGEYGA
G
K
V
I
I
WDSGTYDTEKFHDDPHT
G
E
V
I
V
N
LHG
G
R
I
S
G
R
Y
A
L
I
RTNG
D
R
W
L
A
H
R
LKNQKDQK
V
F
E
FDNL
A
P
M
L
ATHGTVAG----LKAS------
Q
W
A
FEGKWD
G
Y
R
L
L
V
EADH
G
A
V
R
L
RSRSGRDV
T
A
E
Y
P
Q
L
-
R
A
L
A
E
D
-LAD
H
H
V
V
LDG
E
A
V
V
LDSSGVP-
S
-
F
S
Q
M
Q
NRG----------R----------DT
R
----------
V
E
F
W
A
F
D
L
L
Y
LDG
R
A
LLGT
R
Y
Q
D
R
R
K
L
L
E
-
T
L
ANA-T-S--LTVPELL----PGDGA
Q
A
F
-
A
CSRKH---GWE
G
V
I
A
KRRDSRYQ
P
G
R
R
C
A
S
W
V
K
DK-HW-NT
Q
E
V
V
I
G
G
W
RAGEGGRSSGV
G
S
L
LMGI--PGP--GG
L
Q
F
--AGRVGTGL
S
E
R
E
L
A
N
L
K
E
M
L
A
PLHTDESPFDVPLPARDAKG
I
T
Y
VKP
A
L
V
A
E
V
RYSEW--TPEG------R------LRQSSWRGLRPDK
K
P
S
E
V
VRE
3
PsiBlast_PDB
95.97
100%
-81
- C3 -
2IRY
2
LIGD_MYCTU
A:
[5-292]
-
G
S
A
S
E
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
94.86
100%
-82
- C3 -
3PKY
5
LIGD_MYCTU
A:
[9-295]
-----
E
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
D
A
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
94.59
100%
-80
- C3 -
4MKY
3
LIGD_MYCTU
D:
[10-293]
------
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
94.47
100%
-81
- C3 -
2IRY
2
LIGD_MYCTU
B:
[9-291]
-----
E
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
94.45
100%
-79
- C3 -
2IRU
-
LIGD_MYCTU
A:
[6-291]
--
S
A
S
E
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
94.45
100%
-79
- C3 -
2IRU
-
LIGD_MYCTU
A:
[6-291]
--
S
A
S
E
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
94.40
100%
-81
- C3 -
2IRX
2
LIGD_MYCTU
A:
[10-292]
------
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
94.36
100%
-82
- C3 -
3PKY
5
LIGD_MYCTU
B:
[10-295]
------
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
D
A
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
94.28
100%
-79
- C3 -
4MKY
3
LIGD_MYCTU
A:
[10-293]
------
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
54
Fugue
94.13
100%
-78
- C3 -
2R9L
7
LIGD_MYCTU
A:
[9-295]
-----
E
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
D
A
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
94.13
100%
-78
- C3 -
2R9L
7
LIGD_MYCTU
A:
[9-295]
-----
E
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
D
A
P
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
93.74
100%
-76
- C3 -
4MKY
3
LIGD_MYCTU
C:
[10-293]
------
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
93.37
100%
-80
- C3 -
2R9L
4
LIGD_MYCTU
B:
[11-292]
-------
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
91.62
100%
-79
- C3 -
4MKY
3
LIGD_MYCTU
B:
[10-292]
------
Q
R
V
T
L
T
N
A
D
K
V
L
Y
P
A
T
G
T
T
K
S
D
I
F
D
Y
Y
A
G
V
A
E
V
M
L
G
H
I
A
G
R
P
A
T
R
K
R
W
P
N
G
V
D
Q
P
A
F
F
E
K
Q
L
A
L
S
A
P
P
W
L
S
R
A
T
V
A
H
R
-
S
G
T
T
T
Y
P
I
I
-
D
S
A
T
G
L
A
W
I
A
Q
Q
A
A
L
E
V
H
V
P
Q
W
R
F
--
V
A
E
P
G
S
G
E
L
N
P
G
P
A
T
R
L
V
F
D
L
D
P
G
E
G
V
M
M
A
Q
L
A
E
V
A
R
A
V
R
D
L
L
A
D
I
G
L
V
T
F
P
V
T
S
G
S
K
G
L
H
L
Y
T
P
L
D
E
P
V
S
S
R
G
A
T
V
L
A
K
R
V
A
Q
R
L
E
Q
A
M
P
A
L
V
T
S
T
M
T
K
S
L
R
A
G
K
V
F
V
D
W
S
Q
N
S
G
S
K
T
T
I
A
P
Y
S
L
R
G
R
T
H
P
T
V
A
A
P
R
T
W
A
E
L
D
D
P
-
A
L
R
Q
-
L
S
Y
D
E
V
L
T
R
I
A
R
D
G
D
L
L
E
R
L
D
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
67.27
31%
-72
- C1 -
3RR5
1
?
A:
[233-549]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
R
P
M
L
A
Q
N
A
--
A
S
----
V
K
E
A
L
I
E
M
GG
E
A
A
F
E
I
K
Y
D
G
A
R
V
Q
V
H
R
D
G
D
R
V
I
I
Y
S
R
R
L
E
N
V
T
R
S
I
P
E
I
V
E
A
V
K
A
S
-
L
K
P
S
K
V
I
V
E
G
E
L
V
A
V
G
E
N
G
R
P
-
R
P
F
Q
Y
V
L
R
R
F
----------
R
RKYNI
D
E
M
I
E
K
I
P
----------
L
E
L
N
L
F
D
I
L
Y
V
D
G
E
S
L
I
D
T
E
F
V
E
R
R
K
R
L
E
E
S
V
E
E
S
-
E
-
K
--
I
K
I
A
E
Q
L
V
T
K-
K
V
E
E
A
E
A
F
Y
K
R
A
L
E
L
---
G
H
E
G
L
M
A
K
R
L
D
S
V
Y
E
P
G
N
R
G
K
K
W
L
K
I
K
P
T
M
-
E
N
L
D
L
V
I
I
G
A
E
W
G
E
G
R
R
A
H
L
L
G
S
F
L
V
A
A
--
Y
D
P
--
D
S
G
E
F
L
P
V
G
K
V
G
S
G
F
T
D
E
D
L
V
E
F
T
K
M
L
K
P
L
I
L
-----------
R
E
E
G
K
F
V
E
I
E
P
K
V
V
I
E
V
T
Y
Q
E
I
Q
K
S
P
K
Y
------
R
SG
F
A
--
L
R
F
P
R
Y
V
A
L
R
E
D
K
S
P
E
E
----
31
HHSearch
66.06
32%
-61
- C3 -
5DMU
6
?
A:
[14-298]
--
H
I
E
G
H
D
I
K
V
T
N
P
D
K
V
L
F
P
E
D
G
I
T
K
G
E
L
V
D
Y
Y
R
R
I
S
G
V
M
V
P
L
V
R
G
R
P
M
T
M
Q
R
F
P
D
G
I
G
K
E
G
F
F
Q
K
E
A
S
D
Y
F
P
D
W
V
H
R
A
T
L
E
L
G
K
G
G
I
Q
H
Q
V
V
C
-
D
D
A
A
T
L
V
Y
L
A
S
Q
A
M
I
T
P
H
V
F
L
S
R
I
--
D
--------
K
V
H
Y
P
D
R
L
I
F
D
L
D
P
P
D
-
N
N
F
E
T
V
R
S
A
A
K
T
I
R
E
A
L
D
A
E
G
Y
P
V
Y
L
M
T
T
G
S
R
G
L
H
V
V
V
P
L
D
R
S
A
D
F
D
T
V
R
A
F
A
R
G
F
G
E
K
L
T
K
K
Y
P
D
R
F
T
I
E
L
S
K
E
K
R
R
G
R
L
F
L
D
Y
L
R
N
S
Y
G
Q
T
G
V
A
P
Y
G
V
R
A
R
S
G
A
P
V
A
T
P
I
T
W
D
E
L
D
D
I
S
G
S
Q
E
-
Y
N
I
R
N
I
M
G
R
M
D
K
R
G
D
A
W
K
Y
I
D
K
D
R
T
S
I
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
39
HHSearch
63.76
30%
-56
* C1 *
2CFM
2
DNLI_PYRFU
A:
[215-540]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Q
V
Q
L
G
K
P
I
K
P
M
L
A
Q
Q
A
A
S
I
R
D
A
L
L
E
M
G
G
------
E
A
E
F
E
I
K
Y
D
G
A
R
V
Q
V
H
K
D
G
S
K
I
I
V
Y
S
R
R
L
E
N
V
T
R
A
I
P
E
I
-
V
E
A
L
K
E
A
I
I
P
E
K
A
I
V
E
G
E
L
V
A
I
G
E
N
G
R
P
L
P
-
F
Q
Y
V
L
R
R
F
R
RKHN
I
E
E
M
M
E
----------
K
I
P
----------
L
E
L
N
L
F
D
V
L
Y
V
D
G
Q
S
L
I
D
T
K
F
I
D
R
R
R
T
L
E
-
E
I
I
K
Q
N
E
-
K
--
I
K
V
A
E
N
L
I
T
KK
V
E
E
A
E
A
F
Y
-
K
R
A
L
E
M
---
G
H
E
G
L
M
A
K
R
L
D
A
V
Y
E
P
G
N
R
G
K
K
W
L
K
I
K
-
P
T
M
E
N
L
D
L
V
I
I
G
A
E
W
G
E
G
R
R
A
H
L
F
G
S
F
I
L
G
A
--
Y
D
P
ET
G
E
F
L
E
--
V
G
K
V
G
S
G
F
T
D
D
D
L
V
E
F
T
K
M
L
K
P
L
I
I
K
-----------
E
E
G
K
R
V
W
L
Q
P
K
V
V
I
E
V
T
Y
Q
E
I
--
Q
K
S
P
KYRSG
F
A
------
L
R
F
P
R
F
V
A
L
R
D
D
K
G
P
E
D
A
D
--
16
PsiBlast_PDB
63.66
31%
-67
- C1 -
2CFM
2
DNLI_PYRFU
A:
[246-538]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
I
K
Y
D
G
A
R
V
Q
V
H
K
D
G
S
K
I
I
V
Y
S
R
R
L
E
N
V
T
R
A
I
P
E
I
V
E
A
L
K
E
A
-
I
I
P
E
K
A
I
V
E
G
E
L
V
A
I
G
E
N
G
R
P
L
P
-
F
Q
Y
V
L
R
R
F
----------
R
----------
R
K
H
N
I
E
E
M
M
E
K
I
P
L
E
L
N
L
F
D
V
L
Y
V
D
G
Q
S
L
I
D
T
K
F
I
D
R
R
R
T
L
E
-
E
I
I
K
Q
-
N
E
K
--
I
K
V
A
E
N
L
I
T
K-
K
V
E
E
A
E
A
F
Y
K
R
A
L
E
M
---
G
H
E
G
L
M
A
K
R
L
D
A
V
Y
E
P
G
N
R
G
K
K
W
L
K
I
K
P
T
M
-
E
N
L
D
L
V
I
I
G
A
E
W
G
E
G
R
R
A
H
L
F
G
S
F
I
L
G
A
--
Y
D
P
--
E
T
G
E
F
L
E
V
G
K
V
G
S
G
F
T
D
D
D
L
V
E
F
T
K
M
L
K
P
L
I
I
K
E
E
G
K
R
V
-----------
W
L
Q
P
K
V
V
I
E
V
T
Y
Q
E
I
QK
S
P
K
Y
------
R
SG
F
A
--
L
R
F
P
R
F
V
A
L
R
D
D
K
G
P
E
D
----
27
PsiBlast_CBE
63.55
32%
-60
- C3 -
5DMU
6
?
A:
[20-294]
--------
I
K
V
T
N
P
D
K
V
L
F
P
E
D
G
I
T
K
G
E
L
V
D
Y
Y
R
R
I
S
G
V
M
V
P
L
V
R
G
R
P
M
T
M
Q
R
F
P
D
G
I
G
K
E
G
F
F
Q
K
E
A
S
D
Y
F
P
D
W
V
H
R
A
T
L
E
L
G
-
K
G
G
I
Q
H
Q
V
V
C
D
D
A
A
T
L
V
Y
L
A
S
Q
A
M
I
T
P
H
V
F
L
S
R
I
DK
V
H
Y
P
----------
D
R
L
I
F
D
L
D
P
P
D
N
-
N
F
E
T
V
R
S
A
A
K
T
I
R
E
A
L
D
A
E
G
Y
P
V
Y
L
M
T
T
G
S
R
G
L
H
V
V
V
P
L
D
R
S
A
D
F
D
T
V
R
A
F
A
R
G
F
G
E
K
L
T
K
K
Y
P
D
R
F
T
I
E
L
S
K
E
K
R
R
G
R
L
F
L
D
Y
L
R
N
S
Y
G
Q
T
G
V
A
P
Y
G
V
R
A
R
S
G
A
P
V
A
T
P
I
T
W
D
E
L
D
D
I
-
S
G
S
Q
E
Y
N
I
R
N
I
M
G
R
M
D
K
R
G
D
A
W
K
Y
I
D
K
D
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
62.31
30%
-61
- C1 -
4EQ5
1
?
A:
[258-550]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
F
E
I
K
Y
D
G
A
R
V
Q
V
H
K
N
G
N
K
V
L
I
Y
S
R
R
L
E
N
V
T
K
S
I
P
E
V
V
E
R
V
K
E
A
-
L
K
P
E
K
V
I
V
E
G
E
L
V
A
V
E
E
T
G
R
P
-
R
P
F
Q
Y
V
L
R
R
F
----------
R
RKYN
I
E
E
M
I
E
K
I
P
----------
L
E
L
N
L
F
D
I
L
Y
V
D
G
Q
N
M
I
D
T
P
F
M
E
R
R
K
V
L
E
-
S
V
V
N
S
-
N
-
E
WI
K
S
A
E
N
L
I
----
T
K
S
P
E
E
A
E
-
A
F
Y
H
K
A
L
D
L
G
H
E
G
L
M
A
K
R
L
D
S
T
Y
E
P
G
N
R
G
K
K
W
L
K
I
K
P
T
M
-
E
N
L
D
L
V
V
L
G
A
E
W
G
E
G
R
R
S
G
V
L
S
S
F
L
L
G
A
Y
D
P
V
K
--
G
D
F
V
P
--
V
G
K
V
G
S
G
F
T
D
E
D
L
V
E
F
T
K
M
L
K
P
L
I
K
K
E
H
G
K
E
V
E
L
-----------
E
P
K
V
V
I
E
V
A
Y
Q
E
I
--
Q
K
S
P
------
K
YESGFA
L
R
F
P
R
Y
I
A
L
R
E
D
K
G
P
E
D
----