@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 : Rv2176: (2016-05-08 )
MVEAGTRDPLESALLDSRYLVQAKIASGGTSTVYRGLDVRLDRPVALKVMDSRYAGDEQFLTRFRLEARAVARLNNRALVAVYDQGKDGRHPFLVMELIEGGTLRELLIERGPMPPHAVVAVLRPVLGGLAAAHRAGLVHRDVKPENILISDDGDVKLADFGLVRAVAAASITSTGVILGTAAYLSPEQVRDGNADPRSDVYSVGVLVYELLTGHTPFTGDSALSIAYQRLDADVPRASAVIDGVPPQFDELVACATARNPADRYADAIAMGADLEAIAEELALPEFRVPAPRNSAQHRSAALYRSRITQQGQLGAKPVHHPTRQLTRQPGDCSEPASGSEPEHEPITGQFAGIAIEEFIWARQHARRMVLVWVSVVLAITGLVASAAWTIGSNLSGLL
Atome Classification :
(26 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.......
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MVEAGTRD
P
L
E
S
A
L
LDS
R
Y
L
V
Q
A
K
IASGGTS
T
V
YRGLD
V
R
LDR
P
V
A
L
K
V
MDSRY--A
G
D
E
Q
F
L
T
R
F
R
L
E
A
R
A
V
A
RL-NN
R
A
L
V
A
V
Y
DQ-GK--D----GRH
P
F
L
V
M
E
L
IEGG
T
L
R
E
L
L
I
ERGPM
P
P
H
A
V
V
A
V
L
R
P
V
L
G
G
L
A
A
A
H
R
AGLVHRDVKPE
N
I
L
I---SDD---G
D
---
V
K
L
A
D
F
G
L
V
R
A
V
A
A
ASITS
T
G
V
I
L
GTAAYL
S
P
E
Q
VR----DGNADP
R
S
D
V
Y
S
V
G
V
L
V
Y
E
L
LTGHTPFTG
D
S
A
L
S
I
A
Y
Q
----
R
LDA---DVPR
A
S
A
-VIDGVPP
Q
F
D
E
L
V
A
C
ATAR
N
P
A
D
R
Y
------
A
D
A
IAMGA
D
L
E
A
I
A
E
E
LALPEFRVPAPRNS
A
Q
H
R
S
A
A
L
Y
R
S
R
ITQQGQLGAKPVH
H
P
T
R
Q
L
TRQPGDCSEPASGSEPEHEPITG
Q
F
A
G
I
A
I
E
E
F
I
W
A
R
Q
H
A
R
R
M
V
L
V
W
V
S
V
V
L
A
I
T
G
L
V
A
S
A
A
W
T
IGSNLSGLL
21
PsiBlast_CBE
87.47
45%
-98
- C1 -
2FUM
1
PKNB_MYCTU
C:
[27-293]
--------------
L
S
D
R
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
ETPA
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
86.61
41%
-93
- C1 -
4OW8
2
PKNA_MYCTU
A:
[3-272]
--------
P
R
V
G
V
T
L
S
G
R
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
RS
G
G
P
F
A
D
A
V
A
---------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
86.18
45%
-97
- C1 -
1O6Y
3
PKNB_MYCTU
A:
[27-293]
--------------
L
S
D
R
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
85.20
45%
-89
- C1 -
2FUM
1
PKNB_MYCTU
A:
[27-293]
--------------
L
S
D
R
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
ETPA
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
82.93
44%
-93
- C1 -
3ORK
3
?
A:
[10-276]
--------------
L
S
D
R
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
81.04
44%
-93
- C1 -
3F61
5
PKNB_MYCTU
A:
[10-276]
--------------
L
S
D
R
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
80.72
44%
-86
- C1 -
3ORP
1
?
A:
[10-276]
--------------
L
S
D
R
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
80.64
44%
-89
- C1 -
3ORO
2
?
A:
[12-276]
----------------
D
R
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
ETPA
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
79.41
34%
-103
- C1 -
4EQM
1
?
F:
[8-276]
-------------
I
I
N
E
R
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
---------------
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
E
----------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
78.99
34%
-103
- C1 -
4EQM
1
?
D:
[8-276]
-------------
I
I
N
E
R
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
---------------
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
E
----------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
78.97
34%
-101
- C1 -
4EQM
1
?
E:
[8-276]
-------------
I
I
N
E
R
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
---------------
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
E
----------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
78.92
44%
-94
- C1 -
3ORM
2
?
A:
[13-276]
-----------------
R
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
ETPA
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
78.55
44%
-86
- C1 -
3ORT
2
?
A:
[10-276]
--------------
L
S
D
R
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
R
A
D
L
----------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
77.78
34%
-95
- C1 -
4EQM
2
?
A:
[8-276]
-------------
I
I
N
E
R
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
E
----------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
77.74
34%
-95
- C1 -
4EQM
2
?
C:
[8-276]
-------------
I
I
N
E
R
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
E
----------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
77.29
34%
-96
- C1 -
4EQM
2
?
B:
[8-276]
-------------
I
I
N
E
R
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
E
----------------------------------------------------------------------------------------------------------------------
67
PsiBlast_CBE
72.35
31%
-91
- C1 -
2WEL
9
KCC2D_HUMAN
A:
[2-256]
--------------
M
T
D
E
Y
Q
L
F
E
E
L
G
K
G
A
F
S
V
V
R
R
C
M
K
I
P
T
G
Q
E
Y
A
A
K
I
I
N
T
K
K
LS
A
R
D
H
Q
K
L
E
R
---
E
A
R
I
C
R
L
L
-
K
H
P
N
I
V
R
L
H
D
S
I
S
E
--
E
----
G
F
H
-
Y
L
V
F
D
L
V
T
G
G
E
L
F
E
D
I
V
A
R
E
Y
Y
S
E
A
D
A
S
H
C
I
Q
Q
I
L
E
S
V
N
H
C
H
L
N
G
I
V
H
R
D
L
K
P
E
N
L
L
L
---
A
S
K
---
S
K
G
A
A
V
K
L
A
D
F
G
L
A
I
E
V
Q
G
D
Q
Q
A
W
F
G
-
F
A
G
T
P
G
Y
L
S
P
E
V
L
R
----
K
D
P
Y
G
K
P
V
D
M
W
A
C
G
V
I
L
Y
I
L
L
V
G
Y
P
P
F
W
D
E
D
Q
H
R
L
-
Y
Q
----
Q
I
K
A
GAY
D
F
P
--
S
P
-
E
W
D
T
V
T
P
E
A
K
D
L
I
N
K
M
L
T
I
N
P
A
K
R
---------------------------------------------------------------------------------------------------------------------------------------------
66
PsiBlast_CBE
71.77
31%
-91
- C1 -
2VN9
5
KCC2D_HUMAN
A:
[2-252]
--------------
M
T
D
E
Y
Q
L
F
E
E
L
G
K
G
A
F
S
V
V
R
R
C
M
K
I
P
T
G
Q
E
Y
A
A
K
I
I
N
T
K
K
LS
A
R
D
H
Q
K
L
E
R
---
E
A
R
I
C
R
L
L
-
K
H
P
N
I
V
R
L
H
D
S
I
S
E
--
E
----
G
F
H
-
Y
L
V
F
D
L
V
T
G
G
E
L
F
E
D
I
V
A
R
E
Y
Y
S
E
A
D
A
S
H
C
I
Q
Q
I
L
E
S
V
N
H
C
H
L
N
G
I
V
H
R
D
L
K
P
E
N
L
L
L
---
A
S
K
---
S
K
G
A
A
V
K
L
A
D
F
G
L
A
I
E
V
Q
G
D
Q
Q
A
W
F
G
-
F
A
G
T
P
G
Y
L
S
P
E
V
L
R
----
K
D
P
Y
G
K
P
V
D
M
W
A
C
G
V
I
L
Y
I
L
L
V
G
Y
P
P
F
W
D
E
D
Q
H
R
L
-
Y
Q
----
Q
I
K
A
GAY
D
F
P
--
S
P
-
E
W
D
T
V
T
P
E
A
K
D
L
I
N
K
M
L
T
I
N
P
A
K
R
---------------------------------------------------------------------------------------------------------------------------------------------
65
PsiBlast_CBE
70.12
31%
-88
- C1 -
2VN9
3
KCC2D_HUMAN
B:
[2-252]
--------------
M
T
D
E
Y
Q
L
F
E
E
L
G
K
G
A
F
S
V
V
R
R
C
M
K
I
P
T
G
Q
E
Y
A
A
K
I
I
N
T
K
K
LS
A
R
D
H
Q
K
L
E
R
---
E
A
R
I
C
R
L
L
-
K
H
P
N
I
V
R
L
H
D
S
I
S
E
--
E
----
G
F
H
-
Y
L
V
F
D
L
V
T
G
G
E
L
F
E
D
I
V
A
R
E
Y
Y
S
E
A
D
A
S
H
C
I
Q
Q
I
L
E
S
V
N
H
C
H
L
N
G
I
V
H
R
D
L
K
P
E
N
L
L
L
---
A
S
K
---
S
K
GAA
V
K
L
A
D
F
G
L
A
I
E
V
Q
G
D
Q
Q
A
W
F
G
-
F
A
G
T
P
G
Y
L
S
P
E
V
L
R
----
K
D
P
Y
G
K
P
V
D
M
W
A
C
G
V
I
L
Y
I
L
L
V
G
Y
P
P
F
W
D
E
D
Q
H
R
L
-
Y
Q
----
Q
I
K
A
GAY
D
F
P
--
S
P
-
E
W
D
T
V
T
P
E
A
K
D
L
I
N
K
M
L
T
I
N
P
A
K
R
---------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
68.36
30%
-84
- C1 -
2VZ6
2
KCC2A_HUMAN
A:
[18-277]
------------
L
Y
F
Q
S
M
Y
Q
L
F
E
E
L
G
K
--
F
S
V
V
R
R
C
V
K
V
L
A
G
Q
E
Y
A
A
K
I
I
N
T
K
K
LS
A
R
D
H
Q
K
L
E
R
---
E
A
R
I
C
R
L
L
-
K
H
P
N
I
V
R
L
H
D
S
-
I
S
--
E
----
E
G
H
H
Y
L
I
F
D
L
V
T
G
G
E
L
F
E
D
I
V
A
R
E
Y
Y
S
E
A
D
A
S
H
C
I
Q
Q
I
L
E
A
V
L
H
C
H
Q
M
G
V
V
H
R
D
L
K
P
E
N
L
L
L
---
A
S
K
LKG
A
A
---
V
K
L
A
D
F
G
L
A
I
E
V
E
G
E
Q
Q
A
W
F
G
-
F
A
G
T
P
G
Y
L
S
P
E
V
L
R
----
K
D
P
Y
G
K
P
V
D
L
W
A
C
G
V
I
L
Y
I
L
L
V
G
Y
P
P
F
W
D
E
D
Q
H
R
L
-
Y
Q
----
Q
I
K
A
GAY
D
F
P
--
S
P
-
E
W
D
T
V
T
P
E
A
K
D
L
I
N
K
M
L
T
I
N
P
S
K
R
I
------
T
A
A
E
A
L
--------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
66.15
31%
-95
- C1 -
3BHH
1
KCC2B_HUMAN
B:
[2-252]
--------------
M
T
D
E
Y
Q
L
Y
E
D
I
G
K
---
S
V
V
R
R
C
V
K
L
C
T
G
H
E
Y
A
A
K
I
I
N
T
K
K
L
S
A
R
D
H
Q
K
L
E
R
---
E
A
R
I
C
R
L
L
-
K
H
S
N
I
V
R
L
H
D
S
-
I
S
--
E
----
E
G
F
H
Y
L
V
F
D
L
V
T
G
G
E
L
F
E
D
I
V
A
R
E
Y
Y
S
E
A
D
A
S
H
C
I
Q
Q
I
L
E
A
V
L
H
C
H
Q
M
G
V
V
H
R
D
L
K
P
E
N
L
L
L
---
A
S
K
---
C
K
G
A
A
V
K
L
A
D
F
G
L
A
I
E
V
Q
G
D
Q
Q
A
W
F
G
-
F
A
G
T
P
G
Y
L
S
P
E
V
L
R
----
K
E
A
Y
G
K
P
V
D
I
W
A
C
G
V
I
L
Y
I
L
L
V
G
Y
P
P
F
W
D
E
D
Q
H
K
L
-
Y
Q
----
Q
I
K
A
G
A
Y
D
F
P
--
S
P
-
E
W
D
T
V
T
P
E
A
K
N
L
I
N
Q
M
L
T
I
N
P
A
K
R
---------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
64.04
31%
-94
- C1 -
3BHH
1
KCC2B_HUMAN
A:
[2-252]
--------------
M
T
D
E
Y
Q
L
Y
E
D
I
G
----
S
V
V
R
R
C
V
K
L
C
T
G
H
E
Y
A
A
K
I
I
N
T
K
K
LS
A
R
D
H
Q
K
L
E
R
---
E
A
R
I
C
R
L
L
-
K
H
S
N
I
V
R
L
H
D
S
-
I
S
--
E
----
E
G
F
H
Y
L
V
F
D
L
V
T
G
G
E
L
F
E
D
I
V
A
R
E
Y
Y
S
E
A
D
A
S
H
C
I
Q
Q
I
L
E
A
V
L
H
C
H
Q
M
G
V
V
H
R
D
L
K
P
E
N
L
L
L
---
A
S
K
---
C
K
G
A
A
V
K
L
A
D
F
G
L
A
I
E
V
Q
G
D
Q
Q
A
W
F
G
-
F
A
G
T
P
G
Y
L
S
P
E
V
L
R
----
K
E
A
Y
G
K
P
V
D
I
W
A
C
G
V
I
L
Y
I
L
L
V
G
Y
P
P
F
W
D
E
D
Q
H
K
L
-
Y
Q
----
Q
I
K
A
GAY
D
F
P
--
S
P
-
E
W
D
T
V
T
P
E
A
K
N
L
I
N
Q
M
L
T
I
N
P
A
K
R
---------------------------------------------------------------------------------------------------------------------------------------------
68
PsiBlast_CBE
42.44
31%
-103
- C1 -
3LIJ
2
?
A:
[84-288]
-------------------------------------------------------------------
L
E
E
V
A
V
L
K
L
L
D
H
P
N
I
M
K
L
Y
D
F
-
F
E
--
D
----
K
R
N
Y
Y
L
V
M
E
C
Y
K
G
G
E
L
F
D
E
I
I
H
R
M
K
F
N
E
V
D
A
A
V
I
I
K
Q
V
L
S
G
V
T
Y
L
H
K
H
N
I
V
H
R
D
L
K
P
E
N
L
L
L
ESK
E
K
D
---
A
L
---
I
K
I
V
D
F
G
L
--
S
A
V
F
E
N
Q
K
K
M
K
E
R
L
G
T
A
Y
Y
I
A
P
E
V
L
R
-----
K
K
Y
D
E
K
C
D
V
W
S
I
G
V
I
L
F
I
L
L
A
G
Y
P
P
F
G
G
Q
T
D
Q
E
I
L
R
K
V
E
K
G
K
Y
T
F
---
D
S
P
E
W
K
N
-
V
S
E
G
A
K
D
L
I
K
Q
M
L
Q
F
D
S
Q
R
--------------------------------------------------------------------------------------------------------------------------------------------------
71
PsiBlast_CBE
36.93
34%
-93
- C1 -
4L6Q
1
ROCK2_HUMAN
A:
[122-296]
-----------------------------------------------------------------
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
F
Y
G
R
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
L
V
G
T
Y
S
K
----
I
M
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
70
PsiBlast_CBE
34.91
34%
-85
- C1 -
4L6Q
1
ROCK2_HUMAN
B:
[122-296]
-----------------------------------------------------------------
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
SQGG
D
G
F
Y
G
R
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
L
V
G
T
Y
S
K
----
I
M
D
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
69
PsiBlast_CBE
28.46
34%
-99
- C1 -
3HZT
7
?
A:
[54-245]
--------------------------------------------------------------------
E
V
A
V
L
K
Q
L
-
D
H
P
N
I
M
K
L
Y
E
F
-
F
E
--
D
----
K
R
N
Y
Y
L
V
M
E
V
Y
R
G
G
E
L
F
D
E
I
I
L
R
Q
K
F
S
E
V
D
A
A
V
I
M
K
Q
V
L
S
G
T
T
Y
L
H
K
H
N
I
V
H
R
D
L
K
P
E
N
L
L
L
ESK
S
R
D
---
A
L
---
I
K
I
V
D
F
G
L
-----
S
A
H
F
E
V
G
-----
T
A
Y
Y
I
A
P
E
V
L
R
-----
K
K
Y
D
E
K
C
D
V
W
S
C
G
V
I
L
Y
I
L
L
C
G
Y
P
P
F
G
G
Q
T
D
Q
E
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------