@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 : trmd_haein_: (2014-06-20 )
MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAGEGAKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLGKQASAEEDSFADGLLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLRRPELLEGLALTDEQRKLLKEAQAEHNS
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....----
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
EFGVTG
R
A
VKH
N
L
L
K
V
E
CWNPRDFTFDKHKTVDDRPYGGGP
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
KAAA----GE----
G
A
K
V
I
Y
LSPQGRKLDQGG
V
T
E
L
AQN
Q
K
L
I
L
V
CGRYE
G
I
D
E
R
L
I
Q
T
E----IDE----EWSIG
D
Y
V
LTGGEL
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
LGKQASAEE
D
S
F
A
D
G
--
L
LDCPHYT
R
P
E
V
LEGLTV
P
P
V
LMSG
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
WLR
R
P
E
L
L
E
--
G
LA--L
T
D
E
Q
R
K
L
L
K
E
A
Q
AEHNS----
3
PsiBlast_PDB
99.41
100%
-138
- C1 -
1UAL
1
TRMD_HAEIN
A:
[21-266]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
---------
S
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
----
18
Fugue
99.31
99%
-138
- C1 -
1UAL
1
TRMD_HAEIN
A:
[19-270]
SH
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
S
---------
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
L
EHH
28
HHSearch
98.68
100%
-138
- C1 -
1UAL
1
TRMD_HAEIN
A:
[21-265]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
---------
S
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
-----
2
PsiBlast_PDB
97.99
100%
-136
- C1 -
1UAK
-
TRMD_HAEIN
A:
[21-266]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
---------
S
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
----
27
HHSearch
97.94
100%
-136
- C1 -
4MCD
1
TRMD_HAEIN
A:
[1-246]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
---------
S
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
----
7
PsiBlast_PDB
97.94
100%
-136
- C1 -
4MCD
1
TRMD_HAEIN
A:
[1-246]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
---------
S
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
----
8
PsiBlast_PDB
97.92
100%
-138
- C1 -
3AXZ
1
TRMD_HAEIN
A:
[21-266]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
-----------
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
----
1
PsiBlast_PDB
97.74
100%
-135
- C1 -
1UAJ
-
TRMD_HAEIN
A:
[1-246]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
---------------
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
----
4
PsiBlast_PDB
97.37
100%
-129
- C1 -
1UAM
1
TRMD_HAEIN
A:
[21-266]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
K
Q
A
--
E
E
D
S
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
----
17
PsiBlast_CBE
97.32
100%
-128
- C1 -
4MCB
2
TRMD_HAEIN
B:
[1-243]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
K
Q
A
S
A
E
E
D
S
F
A
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
-------
16
PsiBlast_CBE
97.16
100%
-136
- C1 -
4MCC
2
TRMD_HAEIN
B:
[1-245]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
------------
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
--
G
L
A
--
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
-----
9
PsiBlast_PDB
93.83
83%
-134
- C1 -
1P9P
1
TRMD_ECOLI
A:
[7-250]
--
M
W
I
G
I
I
S
L
F
P
E
M
F
R
A
I
T
D
Y
G
V
T
G
R
A
V
K
N
G
L
L
S
I
Q
S
W
S
P
R
D
F
T
H
D
R
H
R
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
A
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
A
G
V
S
E
L
A
T
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
V
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
S
G
G
E
L
P
A
M
T
L
I
D
S
V
S
R
F
I
P
G
V
L
G
-----------
E
G
--
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
M
E
V
P
P
V
L
L
S
G
N
H
A
E
I
R
R
W
R
L
K
Q
S
L
G
R
T
W
L
R
R
P
E
L
L
E
--
N
L
A
--
L
T
E
E
Q
A
R
L
L
A
E
F
K
T
E
H
------
6
PsiBlast_PDB
86.59
100%
-140
- C1 -
4MCC
1
TRMD_HAEIN
A:
[1-219]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
---------------
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
-----------------------------------
5
PsiBlast_PDB
86.04
100%
-138
- C1 -
4MCB
2
TRMD_HAEIN
A:
[1-219]
--
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
K
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
----
G
E
----
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
----
I
D
E
----
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
---------------
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
-
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
-----------------------------------
29
HHSearch
83.58
53%
-131
- C1 -
4H3Z
2
TRMD_BURP8
A:
[22-274]
--
M
Q
F
D
I
V
T
L
F
P
D
M
F
R
A
L
T
D
W
G
I
T
S
R
A
A
K
Q
E
R
Y
G
L
R
T
W
N
P
R
D
F
T
T
D
N
Y
R
T
I
D
D
R
P
Y
G
G
G
P
G
M
V
M
L
A
R
P
L
E
D
A
I
N
A
A
K
A
A
Q
A
E
Q
G
I
G
----
G
A
R
V
V
M
M
S
P
Q
G
A
T
L
N
H
D
K
V
M
R
F
A
A
E
P
G
L
I
L
L
C
G
R
Y
E
A
I
D
Q
R
L
I
D
R
V
----
V
D
E
----
E
V
S
L
G
D
F
V
L
S
G
G
E
L
P
A
M
A
L
I
D
A
V
V
R
H
L
P
G
V
L
N
------
Q
D
S
F
V
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
E
Y
D
G
V
R
V
P
D
V
L
L
G
G
H
H
A
E
I
E
Q
W
R
R
R
E
A
L
R
N
T
W
L
K
R
P
D
L
I
V
Q
A
R
K
N
KL
L
S
R
A
D
E
A
W
L
A
S
L
A
K
D
A
S
-----
10
PsiBlast_PDB
80.84
54%
-129
- C1 -
4H3Y
1
TRMD_BURP8
A:
[22-261]
--
M
Q
F
D
I
V
T
L
F
P
D
M
F
R
A
L
T
D
W
G
I
T
S
R
A
A
K
Q
E
R
Y
G
L
R
T
W
N
P
R
D
F
T
T
D
N
Y
R
T
I
D
D
R
P
Y
G
G
G
P
G
M
V
M
L
A
R
P
L
E
D
A
I
N
A
A
K
A
A
Q
----
A
E
Q
GIG
G
A
R
V
V
M
M
S
P
Q
G
A
T
L
N
H
D
K
V
M
R
F
A
A
E
P
G
L
I
L
L
C
G
R
Y
E
A
I
D
Q
R
L
I
D
R
V
----
V
D
E
----
E
V
S
L
G
D
F
V
L
S
G
G
E
L
P
A
M
A
L
I
D
A
V
V
R
H
L
P
G
V
L
N
D
A
Q
S
A
V
Q
D
S
F
V
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
E
Y
D
G
V
R
V
P
D
V
L
L
G
G
H
H
A
E
I
E
Q
W
R
R
R
E
A
L
R
N
T
W
L
K
R
P
D
L
I
--------
V
Q
A
R
K
N
K
L
L
S
R
A
----------
11
PsiBlast_PDB
80.48
54%
-129
- C1 -
4H3Z
2
TRMD_BURP8
A:
[22-261]
--
M
Q
F
D
I
V
T
L
F
P
D
M
F
R
A
L
T
D
W
G
I
T
S
R
A
A
K
Q
E
R
Y
G
L
R
T
W
N
P
R
D
F
T
T
D
N
Y
R
T
I
D
D
R
P
Y
G
G
G
P
G
M
V
M
L
A
R
P
L
E
D
A
I
N
A
A
K
A
A
Q
----
A
E
Q
GIG
G
A
R
V
V
M
M
S
P
Q
G
A
T
L
N
H
D
K
V
M
R
F
A
A
E
P
G
L
I
L
L
C
G
R
Y
E
A
I
D
Q
R
L
I
D
R
V
----
V
D
E
----
E
V
S
L
G
D
F
V
L
S
G
G
E
L
P
A
M
A
L
I
D
A
V
V
R
H
L
P
G
V
L
N
------
Q
D
S
F
V
D
G
--
L
L
D
C
P
H
Y
T
R
P
E
E
Y
D
G
V
R
V
P
D
V
L
L
G
G
H
H
A
E
I
E
Q
W
R
R
R
E
A
L
R
N
T
W
L
K
R
P
D
L
I
--------
V
Q
A
R
K
N
K
L
L
S
R
A
----------
15
PsiBlast_PDB
72.76
42%
-134
- C1 -
3QUV
3
?
A:
[5-231]
--
M
K
I
D
V
V
T
I
F
P
E
Y
L
Q
P
V
R
Q
-
S
L
P
G
K
A
I
D
A
G
L
V
D
V
A
V
H
D
L
R
R
W
T
H
D
V
H
K
S
V
D
D
S
P
Y
G
G
G
P
G
M
V
M
K
P
T
V
W
G
D
A
L
D
E
I
C
T
S
E
-----------
T
L
L
V
V
P
T
P
A
G
Y
P
F
T
Q
E
T
A
W
Q
W
S
T
E
D
H
L
V
I
A
C
G
R
Y
E
G
I
D
Q
R
V
A
D
D
A
----
A
T
R
M
R
V
R
E
V
S
I
G
D
Y
V
L
N
G
G
E
A
A
A
L
V
I
I
E
A
V
L
R
L
V
P
G
V
L
G
N
------------AS
L
L
E
G
P
S
Y
T
R
P
P
S
W
R
G
M
D
V
P
P
V
L
L
S
G
D
H
A
K
I
A
A
W
R
A
E
Q
S
R
Q
R
T
I
E
R
R
P
D
L
L
------------------------------
33
HHSearch
72.12
44%
-114
- C1 -
3IEF
-
TRMD_BARHE
A:
[3-225]
--
F
Q
A
R
V
L
T
L
Y
P
E
M
F
P
G
F
L
G
C
S
L
A
G
Q
A
L
K
Q
G
I
W
S
L
E
T
V
Q
I
R
D
F
A
-----
S
V
D
D
T
P
A
G
G
G
A
G
M
V
M
R
A
D
V
L
A
A
A
L
D
S
C
P
--------
N
----
D
S
P
R
L
L
M
S
P
R
G
R
L
L
N
Q
A
Y
A
R
S
L
A
R
S
S
G
V
T
L
V
C
G
R
F
E
G
V
D
E
R
I
I
E
A
R
----
E
L
E
----
E
V
S
I
G
D
Y
I
L
S
G
G
E
T
A
A
L
V
L
L
D
A
I
V
R
L
L
P
G
V
M
G
N
E
I
S
A
K
C
E
S
F
E
N
G
--
L
L
E
H
P
Q
Y
T
R
P
A
V
F
E
G
R
G
I
P
P
V
L
T
S
G
H
H
K
A
I
A
N
W
R
Q
Q
Q
A
E
S
L
T
R
Q
R
R
P
D
L
Y
A
--
L
Y
-------------------------
34
HHSearch
71.92
44%
-122
* C1 *
3QUV
3
?
A:
[5-231]
--
M
K
I
D
V
V
T
I
F
P
E
Y
L
Q
P
-
V
R
Q
S
L
P
G
K
A
I
D
A
G
L
V
D
V
A
V
H
D
L
R
R
W
T
H
D
V
H
K
S
V
D
D
S
P
Y
G
G
G
P
G
M
V
M
K
P
T
V
W
G
D
A
L
D
E
I
C
T
-------
S
----
E
T
L
L
V
V
P
T
P
A
G
Y
P
F
T
Q
E
T
A
W
Q
W
S
T
E
D
H
L
V
I
A
C
G
R
Y
E
G
I
D
Q
R
V
A
D
D
A
A
T
R
M
R
V
R
----
E
V
S
I
G
D
Y
V
L
N
G
G
E
A
A
A
L
V
I
I
E
A
V
L
R
L
V
P
G
V
L
G
N
------------AS
L
L
E
G
P
S
Y
T
R
P
P
S
W
R
G
M
D
V
P
P
V
L
L
S
G
D
H
A
K
I
A
A
W
R
A
E
Q
S
R
Q
R
T
I
E
R
R
P
D
L
L
------------------------------
Add PDB User Result:
(13 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....
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
EFGVTG
R
A
VKH
N
L
L
K
V
E
CWNPRDFTFDKHKTVDDRPYGGGP
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
KAAAGE
G
A
K
V
I
Y
LSPQGRKLDQGG
V
T
E
L
AQN
Q
K
L
I
L
V
CGRYE
G
I
D
E
R
L
I
Q
T
EIDEEWSIG
D
Y
V
LTGGEL
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
LGKQASAEE
D
S
F
A
D
G
L
LDCPHYT
R
P
E
V
LEGLTV
P
P
V
LMSG
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
WLR
R
P
E
L
L
E
G
LAL
T
D
E
Q
R
K
L
L
K
E
A
Q
AEHNS
48
-
99%
-118
- C1 -
U048
1
A:
[1-245]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
----------
A
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
-
49
-
99%
-118
- C1 -
U049
1
A:
[1-245]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
----------
A
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
-
50
-
99%
-113
- C1 -
U050
2
A:
[1-246]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
E
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
---------
S
F
A
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
51
-
99%
-119
- C1 -
U051
1
A:
[1-246]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
------------
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
52
-
99%
-117
- C1 -
U052
1
A:
[1-245]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
-----------
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
-
53
-
99%
-119
- C1 -
U053
1
A:
[1-246]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
-----------
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
54
-
99%
-116
- C1 -
U054
1
A:
[1-246]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
-----------
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
55
-
99%
-110
- C1 -
U055
1
A:
[1-245]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
--------
S
F
A
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
-
56
-
99%
-113
- C1 -
U056
1
A:
[1-246]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
-----------
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
57
-
99%
-70
- C1 -
U057
1
A:
[2-246]
-
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
--------
S
F
A
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
58
-
99%
-111
- C1 -
U058
1
A:
[1-246]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
-------
E
S
F
A
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
59
-
99%
-109
- C1 -
U059
2
A:
[1-246]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
-------
D
S
F
A
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
S
60
-
99%
-111
- C1 -
U060
2
A:
[1-245]
M
W
I
G
V
I
S
L
F
P
E
M
F
K
A
I
T
E
F
G
V
T
G
R
A
V
K
H
N
L
L
K
V
E
C
W
N
P
R
D
F
T
F
D
R
H
K
T
V
D
D
R
P
Y
G
G
G
P
G
M
L
M
M
V
Q
P
L
R
D
A
I
H
T
A
K
A
A
A
G
E
G
A
K
V
I
Y
L
S
P
Q
G
R
K
L
D
Q
G
G
V
T
E
L
A
Q
N
Q
K
L
I
L
V
C
G
R
Y
E
G
I
D
E
R
L
I
Q
T
E
I
D
E
E
W
S
I
G
D
Y
V
L
T
G
G
E
L
P
A
M
T
L
I
D
A
V
A
R
F
I
P
G
V
L
G
-----------
D
G
L
L
D
C
P
H
Y
T
R
P
E
V
L
E
G
L
T
V
P
P
V
L
M
S
G
H
H
E
E
I
R
K
W
R
L
K
Q
S
L
Q
R
T
W
L
R
R
P
E
L
L
E
G
L
A
L
T
D
E
Q
R
K
L
L
K
E
A
Q
A
E
H
N
-