@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
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 : Rv2088: (2016-05-07 )
MAHELSAGSVFAGYRIERMLGAGGMGTVYLARNPDLPRSEALKVLAAELSRDLDFRARFVREADVAAGLDHPNIVAVHQRGQFEGRLWIAMQFVDGGNAEDALRAATMTTARAVYVIGEVAKALDYAHQQGVIHRDIKPANFLLSRAAGGDERVLLSDFGIARALGDTGLTSTGSVLATLAYAAPEVLAGQGFDGRADLYSLGCALFRLLTGEAPFAAGAGAAVAVVAGHLHQPPPTVSDRVPGLSAAMDAVIATAMAKDPMRRFTSAGEFAHAAAAALYGGATDGWVPPSPAPHVISQGAVPGSPWWQHPVGSVTALATPPGHGWPPGLPPLPRRPRRYRRGVAAVAAVMVVAAAAVTAVTMTSHQPRTATPPSAAALSPTSSSTTPPQPPIVTRSRLPGLLPPLDDVKNFVGIQNLVAHEPMLQPQTPNGSINPAECWPAVGGGVPSAYDLGTVIGFYGLTIDEPPTGTAPNQVGQLIVAFRDAATAQRHLADLASIWRRCGGRTVTLFRSEWRRPVELSTSVPEVVDGITTMVLTAQGPVLRVREDHAIAAKNNVLVDVDIMTPDTSRGQQAVIGITNYILAKIPG
Atome Classification :
(25 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.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-----------------MAHELSAG
S
V
F
AGY
R
I
E
R
M
LGAGG
M
G
T
V
Y
L
ARN---PDL
P
R
S
E
A
L
K
V
L
A
A
-
E
L
SR
D
---
L
D
F
R
A
R
F
V
R
E
A
D
V
AAGLDHP
N
I
V
A
V
HQRGQF-E---
G
R
L
-
W
I
A
M
Q
F
VDGG
N
A
E
D
A
L
--
R
A
--
A
T
-MTT
A
R
A
V
-
Y
V
I
G
E
V
A
K
A
L
D
Y
A
H
QQGVIHRDIK
P
A
N
F
L
L
S
RAAGG---------D
E
R
V
L
L
S
DF
G
I
A
R
A
L--GDTG-LT
S
T
G
S
V
L
A
T
L
A
Y
A
A
P
E
V
LAGQGFD-G----R
A
D
L
Y
S
L
G
C
A
L
F
R
L
LT-GEAPFAAGA
G
A
A
V
A
V
V
AGHLHQPPPTVSDRV-P
G
-
L
S
A
A
M
D
A
V
I
A
T
A
M
A
K
D
P
M
R
R
F
TSA
G
E
F
A
H
A
A
A
A
A
LYGGATDGWVPPSPAP
H
V
I
SQGAVPGSPWWQHPVGS
V
T
A
LATPPGHGWPPGLPPLPRR
P
R
R
Y
R
R
G
V
A
A
V
A
A
V
M
V
V
A
A
A
A
V
T
A
V
T
MTSHQPRTATPPSAAALSPTSSSTTPPQPPIVTRSRLPGLLP
P
L
D
D
V
K
N
F
V
G
I
Q
N
L
VAHEPMLQPQTPNGSI
N
P
A
E
CWPAVGGGVPS
A
Y
D
L
G
T
V
I
G
F
Y
G
L
T
IDEPPTGTA
P
N
Q
V
G
Q
L
I
V
A
FR
D
A
A
T
A
Q
R
H
L
A
D
L
A
S
I
W
R
RCGG
R
T
V
T
L
F
R
S
EWRR
P
V
ELSTS
V
P
E
V
V
D
GI
T
T
M
V
L
TAQG
P
V
L
R
VRED
H
A
IAAKN
N
V
L
V
D
V
D
I
MTPDTSRG
Q
Q
A
V
I
G
I
T
N
Y
I
L
AKIPG
2
PsiBlast_PDB
84.46
44%
-102
- C3 -
1O6Y
3
PKNB_MYCTU
A:
[31-289]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
L
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
G
I
A
R
A
I
--
A
---------------
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
83.95
44%
-102
- C3 -
3F61
5
PKNB_MYCTU
A:
[14-272]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
D
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
G
I
A
--------------------
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
G
D
S
P
D
S
V
A
Y
--
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
83.43
44%
-102
- C3 -
3ORM
2
?
A:
[14-272]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
L
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
A
T
G
E
A
-
E
TPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
----
A
---------
T
N
A
V
K
V
M
D
F
G
I
A
R
A
I
--
A
-------------
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
83.17
44%
-100
- C3 -
3ORK
3
?
A:
[14-272]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
D
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
G
I
A
-------------------
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
83.07
44%
-95
- C3 -
3ORO
2
?
A:
[14-272]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
D
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
TPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
G
I
A
R
A
I
--
A
-------
T
A
A
V
I
G
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
82.29
44%
-98
- C3 -
2FUM
1
PKNB_MYCTU
A:
[31-289]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
L
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
TPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
G
I
A
R
A
I
--
A
D
-----------
G
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
82.07
35%
-95
- C3 -
4OW8
2
PKNA_MYCTU
A:
[13-283]
------------------------------
Y
R
L
Q
R
L
I
A
T
G
G
M
G
Q
V
W
E
A
V
D
---
N
R
L
G
R
R
V
A
V
K
V
L
K
S
-
E
F
S
S
D
---
P
E
F
I
E
R
F
R
A
E
A
R
T
T
A
M
L
N
H
P
G
I
A
S
V
H
D
Y
G
E
S
Q-----
R
T
A
Y
L
V
M
E
L
V
N
G
E
P
L
N
S
V
L
K
-
R
T
--
G
R
-
L
S
L
R
H
A
L
-
D
M
L
E
Q
T
G
R
A
L
Q
I
A
H
A
A
G
L
V
H
R
D
V
K
P
G
N
I
L
I
T
P
T
G
-------------
Q
V
K
I
T
D
F
G
I
A
K
A
V
--
D
A
A
P
-
V
T
Q
T
G
M
V
M
G
T
A
Q
Y
I
A
P
E
Q
A
L
G
H
D
A
S
-
P
----
A
S
D
V
Y
S
L
G
V
V
G
Y
E
A
V
S
-
G
K
R
P
F
-
A
G
D
G
-
A
L
T
V
A
M
K
H
I
K
E
P
P
P
P
L
P
P
D
L
-----
P
P
N
V
R
E
L
I
E
I
T
L
V
K
N
P
A
M
R
Y
R
S
G
G
P
F
A
D
A
V
A
A
-----
V
R
A
G
R
R
P
P
R
P
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
81.43
44%
-96
- C3 -
3ORP
1
?
A:
[14-272]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
D
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
G
I
A
-----------------
I
G
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
81.00
44%
-101
- C3 -
2FUM
1
PKNB_MYCTU
C:
[31-289]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
L
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
TPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
-----------------------
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
78.57
44%
-94
- C3 -
3ORT
2
?
A:
[14-272]
------------------------------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
---
L
R
D
H
R
D
V
A
V
K
V
L
R
A
-
D
L
A
R
D
---
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
-
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
--
H
T
--
E
G
P
M
T
P
K
R
A
I
-
E
V
I
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
A
T
N
A
-------------
V
K
V
M
D
F
G
I
A
R
-------------------
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
-
A
----
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
-
G
E
P
P
F
T
--
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
R
H
-
E
G
-
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
71.46
29%
-106
- C3 -
4EQM
2
?
A:
[13-275]
------------------------------
Y
K
I
V
D
K
L
G
G
G
G
M
S
T
V
Y
L
A
E
D
---
T
I
L
N
I
K
V
A
I
K
A
I
F
I
-
P
P
R
E
K
---
E
E
T
L
K
R
F
E
R
E
V
H
N
S
S
Q
L
S
H
Q
N
I
V
S
M
I
D
V
D
E
E
-
D
---
D
C
Y
-
Y
L
V
M
E
Y
I
E
G
P
T
L
S
E
Y
I
--
E
S
--
H
G
P
L
S
V
D
T
A
I
-
N
F
T
N
Q
I
L
D
G
I
K
H
A
H
D
M
R
I
V
H
R
D
I
K
P
Q
N
I
L
I
D
----
S
---------
N
K
T
L
K
I
F
D
F
G
I
A
K
A
L
----------------
T
V
Q
Y
F
S
P
E
Q
A
K
G
E
A
T
D
-
E
----
C
T
D
I
Y
S
I
G
I
V
L
Y
E
M
L
V
-
G
E
P
P
F
--
N
G
E
T
A
V
S
I
A
I
K
H
I
Q
D
S
V
P
N
V
T
T
D
V
R
K
D
-
I
P
Q
S
L
S
N
V
I
L
R
A
T
E
K
D
K
A
N
R
Y
K
T
I
Q
E
M
K
D
D
L
S
S
V
L
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
103
Fugue
71.01
20%
-85
- C2 -
2RIO
3
IRE1_YEAST
A:
[8-434]
---------------------
N
F
E
Q
S
L
K
N
L
V
V
S
E
K
I
L
G
Y
G
S
S
G
T
V
V
F
Q
G
S
---
F
Q
-
G
R
P
V
A
V
K
R
M
L
I
-
D
F
C
D
I
---
A
L
M
E
I
K
L
L
T
E
S
D
-----
D
H
P
N
V
I
R
Y
Y
C
S
E
T
T
-
D
---
R
F
L
-
Y
I
A
L
E
L
C
N
L
N
-----
L
--
Q
D
--
L
V
-
E
S
K
Y
N
P
I
-
S
L
L
R
Q
I
A
S
G
V
A
H
L
H
S
L
K
I
I
H
R
D
L
K
P
Q
N
I
L
V
S
T
S
S
R
F
TADQQTGAE
N
L
R
I
L
I
S
D
F
G
L
C
K
K
L
--
D
S
T
-----
S
G
W
R
A
P
E
L
L
E
E
S
N
N
L
Q
T
K
R
R
L
T
-
R
----
S
I
D
I
F
S
M
G
C
V
F
Y
Y
I
L
S
K
G
K
H
P
F
G
D
K
Y
S
R
E
S
N
I
I
R
G
I
F
S
L
D
E
M
K
C
L
H
D
--
R
S
-
L
I
A
E
A
T
D
L
I
S
Q
M
I
D
H
D
P
L
K
R
P
T
A
M
K
V
L
R
H
--------------------------------
P
L
F
--------------------------------
W
P
K
S
K
K
L
E
F
L
L
K
V
S
D
R
L
E
I
-------
E
N
R
D
P
P
S
A
L
L
M
K
F
D
A
G
S
D
F
V
I
P
S
G
-------------------------
D
W
T
V
K
F
D
K
T
F
M
D
R
K
Y
H
S
S
--------------------------------------------
K
L
M
D
L
L
R
A
L
R
N
K
Y
H
H
F
M
D
L
---------------------
P
E
D
I
A
E
L
M
G
P
V
P
D
G
F
Y
D
Y
F
T
K
R
F
---------------
P
N
L
L
I
G
V
Y
M
I
V
K
E
N
L
S
D
D
Q
I
L
R
E
F
L
Y
S
-------
99
Fugue
70.68
20%
-71
- C3 -
1KOB
1
?
A:
[23-374]
INDYDKFYEDIWKK
Y
V
P
Q
P
V
E
V
K
Q
G
S
V
Y
D
Y
Y
D
I
L
E
E
L
G
S
G
A
F
G
V
V
H
R
C
V
E
---
K
A
T
G
R
V
F
V
A
K
F
I
N
T
----
P
Y
---
P
L
D
K
Y
T
V
K
N
E
I
S
I
M
N
Q
L
H
H
P
K
L
I
N
L
H
D
A
F
E
D
-
K
---
Y
E
M
-
V
L
I
L
E
F
L
S
G
G
E
L
F
D
R
I
A
A
E
D
--
Y
K
-
M
S
E
A
E
V
I
-
N
Y
M
R
Q
A
C
E
G
L
K
H
M
H
E
H
S
I
V
H
L
D
I
K
P
E
N
I
M
C
E
T
K
K
A
S
-----------
S
V
K
I
I
D
F
G
L
A
T
K
L
--
N
P
D
E
---
I
V
K
V
T
T
A
T
A
E
F
A
A
P
E
I
V
D
R
E
P
V
G
-
F
----
Y
T
D
M
W
A
I
G
V
L
G
Y
V
L
L
S
-
G
L
S
P
F
A
G
E
D
D
L
E
T
L
Q
N
V
K
R
C
D
W
E
F
D
--
E
D
A
F
-
S
S
-
V
S
P
E
A
K
D
F
I
K
N
L
L
Q
K
E
P
R
K
R
L
T
V
H
D
A
L
E
H
P
W
L
K
G
D
H
S
N
L
T
S
R
--
I
P
S
S
R
Y
N
K
I
R
Q
K
I
K
E
K
Y
A
D
W
P
A
P
Q
P
A
I
G
R
I
A
N
F
S
------
S
L
R
K
H
R
P
Q
E
Y
Q
I
Y
D
S
Y
F
D
R
K
E
A
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
79
HHSearch
65.33
23%
-85
- C3 -
2YAB
5
DAPK2_MOUSE
A:
[8-278]
------------------------
Q
K
V
E
D
F
Y
D
I
G
E
E
L
G
S
G
Q
F
A
I
V
K
K
C
R
E
---
K
S
T
G
L
E
Y
A
A
K
F
I
K
K
-
R
Q
S
R
A
SRR
G
V
C
R
E
E
I
E
R
E
V
S
I
L
R
Q
V
L
H
P
N
I
I
T
L
H
D
V
Y
E
N
-
R
---
T
D
V
-
V
L
I
L
E
L
V
S
G
G
E
L
F
D
F
L
--
A
Q
K-
E
S
-
L
S
E
E
E
A
T
-
S
F
I
K
Q
I
L
D
G
V
N
Y
L
H
T
K
K
I
A
H
F
D
L
K
P
E
N
I
M
L
L
D
K
N
I
P
---------
I
P
H
I
K
L
I
D
F
G
L
A
H
E
I
--
E
D
G
V
---
E
F
K
N
I
F
G
T
P
E
F
V
A
P
E
I
V
N
Y
E
P
L
G
-
L
----
E
A
D
M
W
S
I
G
V
I
T
Y
I
L
L
S
-
G
A
S
P
F
L
G
D
T
K
--
Q
E
T
L
A
N
I
T
A
V
S
Y
D
F
D
E
E
F
F
-
S
Q
-
T
S
E
L
A
K
D
F
I
R
K
L
L
V
K
E
T
R
K
R
L
T
I
Q
E
A
L
R
H
P
W
I
T
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
81
HHSearch
63.92
23%
-91
- C3 -
3UTO
2
UNC22_CAEEL
A:
[154-417]
-------------------------
H
V
L
D
H
Y
D
I
H
E
E
L
G
T
G
A
F
G
V
V
H
R
V
T
E
---
R
A
T
G
N
N
F
A
A
K
F
V
M
T
-
P
H
E
------
S
D
K
E
T
V
R
K
E
I
Q
T
M
S
V
L
R
H
P
T
L
V
N
L
H
D
A
F
E
D
-
D
---
N
E
M
-
V
M
I
Y
E
F
M
S
G
G
E
L
F
E
K
V
--
A
D
EH
N
K
-
M
S
E
D
E
A
V
-
E
Y
M
R
Q
V
C
K
G
L
C
H
M
H
E
N
N
Y
V
H
L
D
L
K
P
E
N
I
M
F
T
T
K
--
R
---------
S
N
E
L
K
L
I
D
F
G
L
T
A
H
L
--
D
P
K
Q
---
S
V
K
V
T
T
G
T
A
E
F
A
A
P
E
V
A
E
G
K
P
V
G
-
Y
----
Y
T
D
M
W
S
V
G
V
L
S
Y
I
L
L
S
-
G
L
S
P
F
G
G
E
N
D
--
D
E
T
L
R
N
V
K
S
C
D
W
N
M
D
D
S
A
F
-
S
G
-
I
S
E
D
G
K
D
F
I
R
K
L
L
L
A
D
P
N
T
R
M
T
I
H
Q
A
L
E
H
P
W
L
T
P
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
78
HHSearch
62.83
23%
-85
- C3 -
1KOB
1
?
A:
[46-310]
-----------------------
Q
G
S
V
Y
D
Y
Y
D
I
L
E
E
L
G
S
G
A
F
G
V
V
H
R
C
V
E
---
K
A
T
G
R
V
F
V
A
K
F
I
N
T
-
P
Y
P
L
------
D
K
Y
T
V
K
N
E
I
S
I
M
N
Q
L
H
H
P
K
L
I
N
L
H
D
A
F
E
D
-
K
---
Y
E
M
-
V
L
I
L
E
F
L
S
G
G
E
L
F
D
R
I
--
A
A
ED
Y
K
-
M
S
E
A
E
V
I
-
N
Y
M
R
Q
A
C
E
G
L
K
H
M
H
E
H
S
I
V
H
L
D
I
K
P
E
N
I
M
C
E
T
K
--
K
---------
A
S
S
V
K
I
I
D
F
G
L
A
T
K
L
--
N
P
D
E
---
I
V
K
V
T
T
A
T
A
E
F
A
A
P
E
I
V
D
R
E
P
V
G
-
F
----
Y
T
D
M
W
A
I
G
V
L
G
Y
V
L
L
S
-
G
L
S
P
F
A
G
E
D
D
--
L
E
T
L
Q
N
V
K
R
C
D
W
E
F
D
E
D
A
F
-
S
S
-
V
S
P
E
A
K
D
F
I
K
N
L
L
Q
K
E
P
R
K
R
L
T
V
H
D
A
L
E
H
P
W
L
K
G
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
102
Fugue
62.54
23%
-89
- C2 -
3H4J
-
SNF1_SCHPO
B:
[27-356]
-----------------------
S
K
R
H
I
G
P
Y
I
I
R
E
T
L
G
E
G
S
F
G
K
V
K
L
A
T
H
---
Y
K
T
Q
Q
K
V
A
L
K
F
I
S
R
-
Q
L
L
K
K
---
S
D
M
H
M
R
V
E
R
E
I
S
Y
L
K
L
L
R
H
P
H
I
I
K
L
Y
D
V
I
T
T
-
P
---
T
D
I
-
V
M
V
I
E
Y
A
G
G
E
L
F
D
Y
I
V
--
E
K
--
K
R
-
M
T
E
D
E
G
R
-
R
F
F
Q
Q
I
I
C
A
I
E
Y
C
H
R
H
K
I
V
H
R
D
L
K
P
E
N
L
L
L
D
D
-------------
N
L
N
V
K
I
A
D
F
G
L
S
N
I
M
TD
G
N
F
L
-
K
T
S
C
G
S
----
P
N
Y
A
A
P
E
V
I
N
G
K
L
Y
A
-
G
P---
E
V
D
V
W
S
C
G
I
V
L
Y
V
M
L
V
-
G
R
L
P
F
D
D
E
F
-------
I
P
N
L
F
K
K
V
N
S
C
V
Y
V
M
-
P
D
F
L
S
P
G
A
Q
S
L
I
R
R
M
I
V
A
D
P
M
Q
R
I
T
----
I
Q
E
I
R
R
D
P
W
F
N
V
N
L
P
D
Y
L
R
P
M
E
E
V
Q
G
S
Y
A
-----------
D
S
R
I
V
S
K
L
G
E
A
M
G
F
S
E
D
Y
I
V
E
A
L
R
S
D
E
N
N
E
V
K
E
A
Y
N
L
L
H
E
N
Q
V
I
Q
E
K
L
E
H
H
H
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
83
HHSearch
61.85
27%
-82
- C3 -
4CZU
7
CIPKN_ARATH
A:
[9-275]
--------------------------
R
V
G
K
Y
E
L
G
R
T
L
G
E
G
T
F
A
K
V
K
F
A
R
N
---
V
E
N
G
D
N
V
A
I
K
V
I
D
K
-
E
K
V
L
K
---
N
K
M
I
A
Q
I
K
R
E
I
S
T
M
K
L
I
K
H
P
N
V
I
R
M
F
E
V
M
A
S
-
K
---
T
K
I
-
Y
F
V
L
E
F
V
T
G
G
E
L
F
D
K
I
--
S
S
N-
G
R
-
L
K
E
D
E
A
R
-
K
Y
F
Q
Q
L
I
N
A
V
D
Y
C
H
S
R
G
V
Y
H
R
D
L
K
P
E
N
L
L
L
D
A
N
-------------
G
A
L
K
V
S
D
F
G
L
S
A
L
P
--
Q
Q
V
R
E
D
G
L
L
H
D
T
C
G
T
P
N
Y
V
A
P
E
V
I
N
N
K
G
Y
D
G
A
----
K
A
D
L
W
S
C
G
V
I
L
F
V
L
M
A
-
G
Y
L
P
F
E
D
S
N
--
L
T
S
L
Y
K
K
I
F
K
A
E
F
T
----
C
P
-
P
W
-
F
S
A
S
A
K
K
L
I
K
R
I
L
D
P
N
P
A
T
R
I
T
F
A
E
V
I
E
N
E
W
F
K
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
86
HHSearch
61.26
25%
-93
- C3 -
3I6U
-
CHK2_HUMAN
A:
[216-488]
--------------------------
L
R
D
E
Y
I
M
S
K
T
L
G
S
G
A
C
G
E
V
K
L
A
F
E
---
R
K
T
C
K
K
V
A
I
R
I
I
S
K
-
R
K
F
A
I
G------
L
N
V
E
T
E
I
E
I
L
K
K
L
N
H
P
C
I
I
K
I
K
N
F
F
D
A
-----
E
D
Y
-
Y
I
V
L
E
L
M
E
G
G
E
L
F
D
K
V
--
V
G
N-
K
R
-
L
K
E
A
T
C
K
-
L
Y
F
Y
Q
M
L
L
A
V
Q
Y
L
H
E
N
G
I
I
H
R
D
L
K
P
E
N
V
L
L
S
S
Q
E
-
E
---------
D
C
L
I
K
I
T
D
F
G
H
S
K
I
L
--
G
--------------
P
T
Y
L
A
P
E
V
L
V
-
A
G
Y
N
-
R
----
A
V
D
C
W
S
L
G
V
I
L
F
I
C
L
S
-
G
Y
P
P
F
S
E
H
R
T
-
Q
V
S
L
K
D
Q
I
T
S
G
K
Y
N
F
I
P
E
V
W
-
A
E
-
V
S
E
K
A
L
D
L
V
K
K
L
L
V
V
D
P
K
A
R
F
T
T
E
E
A
L
R
H
P
W
L
Q
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
94
HHSearch
61.25
26%
-87
- C3 -
4LGD
3
STK3_HUMAN
A:
[23-289]
-------------------------
Q
P
E
E
V
F
D
V
L
E
K
L
G
E
G
S
Y
G
S
V
F
K
A
I
H
---
K
E
S
G
Q
V
V
A
I
K
Q
V
P
V
-
E
S
--------
D
L
Q
E
I
I
K
E
I
S
I
M
Q
Q
C
D
S
P
Y
V
V
K
Y
Y
G
S
Y
F
K
-
N
---
T
D
L
-
W
I
V
M
E
Y
C
G
A
G
S
V
S
D
I
I
--
R
L
R
N
K
T
-
L
I
E
D
E
I
A
-
T
I
L
K
S
T
L
K
G
L
E
Y
L
H
F
M
R
K
I
H
R
N
I
K
A
G
N
I
L
L
N
T
E
-------------
G
H
A
K
L
A
D
F
G
V
A
G
Q
L
--
T
D
T
M
--
A
K
R
N
T
V
I
G
T
P
F
W
M
A
P
E
V
I
Q
E
I
G
Y
N
-
C
----
V
A
D
I
W
S
L
G
I
T
S
I
E
M
A
E
-
G
K
P
P
Y
A
D
I
H
P
--
M
R
A
I
F
M
I
P
T
N
P
P
P
T
F
-
R
K
P
-
E
L
-
W
S
D
D
F
T
D
F
V
K
K
C
L
V
K
N
P
E
Q
R
A
T
A
T
Q
L
L
Q
H
P
F
I
K
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
52.71
31%
-84
- C3 -
4L6Q
1
ROCK2_HUMAN
B:
[77-286]
------------------------------
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
---
S
D
-
S
A
F
F
W
E
E
R
D
I
M
A
F
A
N
S
P
W
V
V
Q
L
F
Y
A
F
Q
D
-
D
---
R
Y
L
-
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
--
S
N
--
Y
D
-
V
P
E
K
W
A
K
-
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
-------------
H
L
K
L
A
D
F
G
T
C
M
K
M
--
D
E
T
G
-
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
G
G
D
-
G
FYGR
E
C
D
W
W
S
V
G
V
F
L
Y
E
M
L
V
-
G
D
T
P
F
Y
A
D
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
51.78
31%
-84
- C3 -
2F2U
1
ROCK2_BOVIN
A:
[77-288]
------------------------------
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
---
S
D
-
S
A
F
F
W
E
E
R
D
I
M
A
F
A
N
S
P
W
V
V
Q
L
F
C
A
F
Q
D
-
D
---
K
Y
L
-
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
--
S
N
--
Y
D
-
V
P
E
K
W
A
K
-
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
-------------
H
L
K
L
A
D
F
G
T
C
M
K
M
--
D
E
T
G
-
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
G
G
D
-
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
F
E
M
L
V
-
G
D
T
P
F
Y
A
D
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
49.65
33%
-84
- C3 -
5D9L
1
KS6A3_HUMAN
A:
[30-232]
----------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
S
F
G
K
V
F
L
V
K
K
I
S
G
S
D
A
R
Q
L
Y
A
M
K
V
L
K
K
-
A
T
L
K
V
---
R
D
-
R
V
R
T
K
M
E
R
D
I
L
V
E
V
N
H
P
F
I
V
K
L
H
Y
A
F
Q
T
-
E
---
G
K
L
-
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
--
S
K
--
E
V
-
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
G
-------------
H
I
K
L
T
D
F
G
L
S
K
E
----------------
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
G
H
T
-
Q
----
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
-
G
T
L
P
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
48.27
31%
-85
- C3 -
2H9V
1
ROCK2_BOVIN
A:
[77-293]
------------------------------
Y
D
V
V
K
V
I
G
R
G
A
F
G
E
V
Q
L
V
R
H
---
K
A
S
Q
K
V
Y
A
M
K
L
L
S
K
F
E
M
I
K
R
---
S
D
-
S
A
F
F
W
E
E
R
D
I
M
A
F
A
N
S
P
W
V
V
Q
L
F
C
A
F
Q
D
-
D
---
K
Y
L
-
Y
M
V
M
E
Y
M
P
G
G
D
L
V
N
L
M
--
S
N
--
Y
D
-
V
P
E
K
W
A
K
-
F
Y
T
A
E
V
V
L
A
L
D
A
I
H
S
M
G
L
I
H
R
D
V
K
P
D
N
M
L
L
D
K
H
G
-------------
H
L
K
L
A
D
F
G
T
C
M
K
M
--
D
E
T
G
-
M
V
H
C
D
T
A
V
G
T
P
D
Y
I
S
P
E
V
L
K
S
Q
G
G
D
-
G
Y
Y
G
R
E
C
D
W
W
S
V
G
V
F
L
F
E
M
L
V
-
G
D
T
P
F
Y
A
D
S
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
48.27
33%
-75
- C3 -
4NUS
1
KS6A3_HUMAN
A:
[30-238]
----------------------------
S
Q
F
E
L
L
K
V
L
G
Q
G
S
F
G
K
V
F
L
V
K
K
ISG
S
D
A
R
Q
L
Y
A
M
K
V
L
K
K
-
A
T
L
K
V
---
R
D
-
R
V
R
T
K
M
E
R
D
I
L
V
E
V
N
H
P
F
I
V
K
L
H
Y
A
F
Q
T
-
E
---
G
K
L
-
Y
L
I
L
D
F
L
R
G
G
D
L
F
T
R
L
--
S
K
--
E
V
-
M
F
T
E
E
D
V
K
F
Y
L
A
E
L
A
L
A
L
D
H
L
H
S
L
G
I
I
Y
R
D
L
K
P
E
N
I
L
L
D
E
E
G
-------------
H
I
K
L
T
D
F
G
L
S
K
E
S
--
I
D
H
E
--
K
K
A
Y
S
F
C
G
T
V
E
Y
M
A
P
E
V
V
N
R
R
G
H
T
-
Q
----
S
A
D
W
W
S
F
G
V
L
M
F
E
M
L
T
-
G
T
L
P
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------