@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 : PA4481: (2016-02-27 )
MFKKLRGMFSSDLSIDLGTANTLIYVRERGIVLNEPSVVAIRSHGSQKSVVAVGTEAKRMLGRTPGNIAAIRPMKDGVIADFSVCEKMLQYFINKVHENSFLQPSPRVLICVPCKSTQVERRAIRESALGAGAREVFLIEEPMAAAIGAGLPVEEARGSMVVDIGGGTTEIALISLNGVVYAESVRVGGDRFDEAIVTYVRRNYGSLIGESTAERIKQEIGTAFPGGDVREVDVRGRNLAEGVPRSFTLNSNEVLEALQESLATIVQAVKSALEQSPPELASDIAERGLVLTGGGALLRDLDKLLAQETGLPVIVAEEPLTCVARGGGRALEMMDRHSMDLLSTE
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...
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
F
K
K
L
R
G
M
FSSD
L
S
I
D
LGTA
N
T
L
I
Y
V
R
ER
G
---
I
---------
V
LNE------P
S
V
V
A
I
RSH-----GSQ------K
S
V
V
A
VG
T
E
-----
A
K
R
M
LGRTPGN
I
A
A
--
I
R
PM----K-----------------------------------DGVI----------------------------A
D
F
S
V
C
E
K
-------------
M
L
Q
Y
F
I
N
----------------------
K
VH--E-NS---FLQPS
P
R
V
---
L
I
C
VPCKS
T
Q
V
E
R
R
A
I
R
E
S
ALGAG
A
R
E
V
F
L
IEE
P
M
A
A
AIGAGL
P
V
--
E
----EA-RG
S
M
V
V
D
IGGG
T
T
E
I
A
L
I
S
LN
G
--
V
V
Y
-----
A
-----
E
S
V
RVGGD
R
F
D
E
A
I
V
T
Y
----
V
R
R
N
Y
G
S
L-------------I
G
-------------
E
---------
S
------
T
A
E
R
I
K
Q
E
IGTA-FPG--G
D
V
R
E
V
DVRGR
N
L
A
EGVP
R
S
F
TL
N
S
N
E
V
L
E
A
L
Q
E
S
L
A
T
I
V
Q
A
V
K
S
A
L
EQS
P
P
E
L
A
S
D
I
A
ER
G
L
V
LTG
G
G
A
L
L
R
D
L
D
K
L
L
A
QETG-L
P
V
I
V
AEEP
L
T
C
V
ARGGG
R
A
L
E
M
M
D
R
HS
M
D
LLSTE
1
PsiBlast_PDB
97.16
62%
-97
- C2 -
4CZE
1
?
A:
[3-326]
---------
S
N
D
I
A
I
D
L
G
T
A
N
T
L
I
Y
Q
K
G
K
G
---
I
---------
V
L
N
E
------
P
S
V
V
A
L
R
N
V
-----
G
G
R
------
K
V
V
H
A
V
G
I
E
-----
A
K
Q
M
L
G
R
T
P
G
H
M
E
A
--
I
R
P
M
----
R
-----------------------------------
D
G
V
I
----------------------------
A
D
F
E
V
A
E
E
-------------
M
I
K
Y
F
I
R
----------------------
K
V
H
--
N
R
K
G
---
F
V
--
N
P
K
V
---
I
V
C
V
P
S
G
A
T
A
V
E
R
R
A
I
N
D
S
C
L
N
A
G
A
R
R
V
G
L
I
D
E
P
M
A
A
A
I
G
A
G
L
P
I
--
H
----
E
P
-
T
G
S
M
V
V
D
I
G
G
G
T
T
E
V
A
V
L
S
L
S
G
--
I
V
Y
-----
S
-----
R
S
V
R
V
G
G
D
K
M
D
E
A
I
I
S
Y
----
M
R
R
H
H
N
L
L
-------------
I
G
-------------
E
---------
T
------
T
A
E
R
I
K
K
E
I
G
T
A
R
A
P
----
E
G
L
S
I
D
V
K
G
R
D
L
M
Q
G
V
P
R
E
V
R
I
S
E
K
Q
A
A
D
A
L
A
E
P
V
G
Q
I
V
E
A
V
K
V
A
L
E
A
T
P
P
E
L
A
S
D
I
A
D
K
G
I
M
L
T
G
G
G
A
L
L
R
G
L
D
A
E
I
R
D
H
T
G
-
L
P
V
T
V
A
D
D
P
L
S
C
V
A
L
G
C
G
K
V
L
E
-------------
22
PsiBlast_CBE
97.15
62%
-104
- C2 -
4CZM
2
?
B:
[2-326]
--------
I
S
N
D
I
A
I
D
L
G
T
A
N
T
L
I
Y
Q
K
G
K
G
---
I
---------
V
L
N
E
------
P
S
V
V
A
L
R
N
V
-----
G
G
R
------
K
V
V
H
A
V
G
I
E
-----
A
K
Q
M
L
G
R
T
P
G
H
M
E
A
--
I
R
P
M
----
R
-----------------------------------
D
G
V
I
----------------------------
A
D
F
E
V
A
E
E
-------------
M
I
K
Y
F
I
R
----------------------
K
V
H
----
N
R
---
K
G
S
G
N
P
K
V
---
I
V
C
V
P
S
G
A
T
A
V
E
R
R
A
I
N
D
S
C
L
N
A
G
A
R
R
V
G
L
I
D
E
P
M
A
A
A
I
G
A
G
L
P
I
--
H
----
E
P
-
T
G
S
M
V
V
D
I
G
G
G
T
T
E
V
A
V
L
S
L
S
G
--
I
V
Y
-----
S
-----
R
S
V
R
V
G
G
D
K
M
D
E
A
I
I
S
Y
----
M
R
R
H
H
N
L
L
-------------
I
G
-------------
E
---------
T
------
T
A
E
R
I
K
K
E
I
G
T
A
R
A
P
A
D-
G
E
G
L
S
I
D
V
K
G
R
D
L
M
Q
G
V
P
R
E
V
R
I
S
E
K
Q
A
A
D
A
L
A
E
P
V
G
Q
I
V
E
A
V
K
V
A
L
E
A
T
P
P
E
L
A
D
D
I
A
D
K
G
I
M
L
T
G
G
G
A
L
L
R
G
L
D
A
E
I
R
D
H
T
G
-
L
P
V
T
V
A
D
D
P
L
S
C
V
A
L
G
C
G
K
V
L
E
-------------
2
PsiBlast_PDB
96.59
62%
-100
- C2 -
4CZL
2
?
A:
[2-326]
--------
I
S
N
D
I
A
I
D
L
G
T
A
N
T
L
I
Y
Q
K
G
K
G
---
I
---------
V
L
N
E
------
P
S
V
V
A
L
R
N
V
-----
G
G
R
------
K
V
V
H
A
V
G
I
E
-----
A
K
Q
M
L
------
M
E
A
--
I
R
P
M
----
R
-----------------------------------
D
G
V
I
----------------------------
A
D
F
E
V
A
E
E
-------------
M
I
K
Y
F
I
R
----------------------
K
V
H
----
N
R
---
K
G
S
G
N
P
K
V
---
I
V
C
V
P
S
G
A
T
A
V
E
R
R
A
I
N
D
S
C
L
N
A
G
A
R
R
V
G
L
I
D
E
P
M
A
A
A
I
G
A
G
L
P
I
--
H
----
E
P
-
T
G
S
M
V
V
D
I
G
G
G
T
T
E
V
A
V
L
S
L
S
G
--
I
V
Y
-----
S
-----
R
S
V
R
V
G
G
D
K
M
D
E
A
I
I
S
Y
----
M
R
R
H
H
N
L
L
-------------
I
G
-------------
E
---------
T
------
T
A
E
R
I
K
K
E
I
G
T
A
R
A
P
A
D-
G
E
G
L
S
I
D
V
K
G
R
D
L
M
Q
G
V
P
R
E
V
R
I
S
E
K
Q
A
A
D
A
L
A
E
P
V
G
Q
I
V
E
A
V
K
V
A
L
E
A
T
P
P
E
L
A
D
D
I
A
D
K
G
I
M
L
T
G
G
G
A
L
L
R
G
L
D
A
E
I
R
D
H
T
G
-
L
P
V
T
V
A
D
D
P
L
S
C
V
A
L
G
C
G
K
V
L
E
-------------
21
PsiBlast_CBE
96.25
62%
-102
- C2 -
4CZJ
2
?
B:
[5-326]
-----------
D
I
A
I
D
L
G
T
A
N
T
L
I
Y
Q
K
G
K
G
---
I
---------
V
L
N
E
------
P
S
V
V
A
L
R
N
V
-----
G
G
R
------
K
V
V
H
A
V
G
I
E
-----
A
K
Q
M
L
G
R
T
P
G
H
M
E
A
--
I
R
P
M
----
R
-----------------------------------
D
G
V
I
----------------------------
A
D
F
E
V
A
E
E
-------------
M
I
K
Y
F
I
R
----------------------
K
V
H
----
N
---------
P
K
V
---
I
V
C
V
P
S
G
A
T
A
V
E
R
R
A
I
N
D
S
C
L
N
A
G
A
R
R
V
G
L
I
D
E
P
M
A
A
A
I
G
A
G
L
P
I
--
H
----
E
P
-
T
G
S
M
V
V
D
I
G
G
G
T
T
E
V
A
V
L
S
L
S
G
--
I
V
Y
-----
S
-----
R
S
V
R
V
G
G
D
K
M
D
E
A
I
I
S
Y
----
M
R
R
H
H
N
L
L
-------------
I
G
-------------
E
---------
T
------
T
A
E
R
I
K
K
E
I
G
T
A
R
A
P
A
D-
G
E
G
L
S
I
D
V
K
G
R
D
L
M
Q
G
V
P
R
E
V
R
I
S
E
K
Q
A
A
D
A
L
A
E
P
V
G
Q
I
V
E
A
V
K
V
A
L
E
A
T
P
P
E
L
A
S
D
I
A
D
K
G
I
M
L
T
G
G
G
A
L
L
R
G
L
D
A
E
I
R
D
H
T
G
-
L
P
V
T
V
A
D
D
P
L
S
C
V
A
L
G
C
G
K
V
L
E
-------------
5
PsiBlast_PDB
96.09
56%
-108
- C2 -
2WUS
-
?
A:
[2-327]
--------
L
R
K
D
I
G
I
D
L
G
T
A
N
T
L
V
F
L
R
G
K
G
---
I
---------
V
V
N
E
------
P
S
V
I
A
I
D
S
T
-----
T
G
E
--------
I
L
K
V
G
L
E
-----
A
K
N
M
I
G
K
T
P
A
T
I
K
A
--
I
R
P
M
----
R
-----------------------------------
D
G
V
I
----------------------------
A
D
Y
T
V
A
L
V
-------------
M
L
R
Y
F
I
N
----------------------
K
A
K
GG
M
-
N
L
---
F
---
K
P
R
V
---
V
I
G
V
P
I
G
I
T
D
V
E
R
R
A
I
L
D
A
G
L
E
A
G
A
S
K
V
F
L
I
E
E
P
M
A
A
A
I
G
S
N
L
N
V
--
E
----
E
P
-
S
G
N
M
V
V
D
I
G
G
G
T
T
E
V
A
V
I
S
L
G
S
--
I
V
T
-----
W
-----
E
S
I
R
I
A
G
D
E
M
D
E
A
I
V
Q
Y
----
V
R
E
T
Y
R
V
A
-------------
I
G
-------------
E
---------
R
------
T
A
E
R
V
K
I
E
I
G
N
V
-
F
P
S
K
E
N
D
E
L
E
T
T
V
S
G
I
D
L
S
T
G
L
P
R
K
L
T
L
K
G
G
E
V
R
E
A
L
R
S
V
V
V
A
I
V
E
S
V
R
T
T
L
E
K
T
P
P
E
L
V
S
D
I
I
E
R
G
I
F
L
T
G
G
G
S
L
L
R
G
L
D
T
L
L
Q
K
E
T
G
-
I
S
V
I
R
S
E
E
P
L
T
A
V
A
K
G
A
G
M
V
L
D
K
V
N
----------
3
PsiBlast_PDB
94.82
56%
-104
- C2 -
1JCF
-
?
A:
[1-327]
-------
M
L
R
K
D
I
G
I
D
L
G
T
A
N
T
L
V
F
L
R
G
K
G
---
I
---------
V
V
N
E
------
P
S
V
I
A
I
D
S
T
-----
T
G
E
--------
I
L
K
V
G
L
E
-----
A
K
N
M
I
G
K
T
P
A
T
I
K
A
--
I
R
P
M
----
R
-----------------------------------
D
G
V
I
----------------------------
A
D
Y
T
V
A
L
V
-------------
M
L
R
Y
F
I
N
----------------------
K
A
K
GG
M
-
N
L
---
F
---
K
P
R
V
---
V
I
G
V
P
I
G
I
T
D
V
E
R
R
A
I
L
D
A
G
L
E
A
G
A
S
K
V
F
L
I
E
E
P
M
A
A
A
I
G
S
N
L
N
V
--
E
----
E
P
-
S
G
N
M
V
V
D
I
G
G
G
T
T
E
V
A
V
I
S
L
G
S
--
I
V
T
-----
W
-----
E
S
I
R
I
A
G
D
E
M
D
E
A
I
V
Q
Y
----
V
R
E
T
Y
R
V
A
-------------
I
G
-------------
E
---------
R
------
T
A
E
R
V
K
I
E
I
G
N
V
-
F
P
S
K
E
N
D
E
L
E
T
T
V
S
G
I
D
L
S
T
G
L
P
R
K
L
T
L
K
G
G
E
V
R
E
A
L
R
S
V
V
V
A
I
V
E
S
V
R
T
T
L
E
K
T
P
P
E
L
V
S
D
I
I
E
R
G
I
F
L
T
G
G
G
S
L
L
R
G
L
D
T
L
L
Q
K
E
T
G
-
I
S
V
I
R
S
E
E
P
L
T
A
V
A
K
G
A
G
M
V
L
D
K
V
N
----------
4
PsiBlast_PDB
93.83
56%
-101
- C2 -
1JCG
2
?
A:
[1-327]
-------
M
L
R
K
D
I
G
I
D
L
G
T
A
N
T
L
V
F
L
R
G
K
G
---
I
---------
V
V
N
E
------
P
S
V
I
A
I
D
S
T
-----
T
G
E
--------
I
L
K
V
G
L
E
-----
A
K
N
M
I
G
K
T
P
A
T
I
K
A
--
I
R
P
M
----
R
-----------------------------------
D
G
V
I
----------------------------
A
D
Y
T
V
A
L
V
-------------
M
L
R
Y
F
I
N
----------------------
K
A
K
GG
M
-
N
L
---
F
---
K
P
R
V
---
V
I
G
V
P
I
G
I
T
D
V
E
R
R
A
I
L
D
A
G
L
E
A
G
A
S
K
V
F
L
I
E
E
P
M
A
A
A
I
G
S
N
L
N
V
--
E
----
E
P
-
S
G
N
M
V
V
D
I
G
G
G
T
T
E
V
A
V
I
S
L
G
S
--
I
V
T
-----
W
-----
E
S
I
R
I
A
G
D
E
M
D
E
A
I
V
Q
Y
----
V
R
E
T
Y
R
V
A
-------------
I
G
-------------
E
---------
R
------
T
A
E
R
V
K
I
E
I
G
N
V
-
F
P
S
K
E
N
D
E
L
E
T
T
V
S
G
I
D
L
S
T
G
L
P
R
K
L
T
L
K
G
G
E
V
R
E
A
L
R
S
V
V
V
A
I
V
E
S
V
R
T
T
L
E
K
T
P
P
E
L
V
S
D
I
I
E
R
G
I
F
L
T
G
G
G
S
L
L
R
G
L
D
T
L
L
Q
K
E
T
G
-
I
S
V
I
R
S
E
E
P
L
T
A
V
A
K
G
A
G
M
V
L
D
K
V
N
----------
34
HHSearch
69.13
22%
-83
- C2 -
3I33
3
HSP72_HUMAN
A:
[23-402]
---------
M
P
A
I
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
Q
H
G
---
K
V
E
I
I
A
N
DQG
N
R
T
T
------
P
S
Y
V
A
F
T
D
T
----------------
E
R
L
I
G
D
A
-----
A
K
N
Q
V
A
M
N
P
T
N
T
I
F
DA
K
R
L
I
GRKF
E
-----------------------------------
D
A
T
V
Q
S
D
M
K
H
WP
F
R
V
V
S
E
GG
K
P
K
V
Q
V
E
Y
KGET
K
T
F
-
F
P
E
E
-------------
I
S
S
M
V
L
T
----------------------
K
M
K
--
E
-
I
A
E
A
Y
L
G
G
K
V
H
S
A
---
V
I
T
V
P
A
Y
F
N
D
S
Q
R
Q
A
T
K
D
A
G
T
I
T
G
L
N
V
L
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
K
--
K
GCAG
G
E
-
K
N
V
L
I
F
D
L
G
G
G
T
F
D
V
S
I
L
T
I
E
D
GI
F
E
V
K
S
T
--
A
-----
G
D
T
H
L
G
G
E
D
F
D
N
R
M
V
S
H
----
L
A
E
E
F
K
R
K
HKKDIGPN
K
R
A
V
R
R
L
-------------
R
---------
T
------
A
C
E
R
A
K
R
T
L
S
S
S
-
T
Q
A
------
S
I
E
I
D
--
S
L
Y
E
G
V
D
F
Y
T
S
I
T
R
A
R
F
E
E
L
N
A
D
L
F
R
G
T
L
E
P
V
E
K
A
L
R
D
A
K
L
D
--
K
G
Q
I
-
Q
E
I
V
L
V
G
G
S
T
R
I
P
K
I
Q
K
L
L
Q
D
F
F
N
G
K
E
L
N
K
S
I
N
P
D
E
A
V
A
Y
G
A
A
V
Q
A
A
I
L
I
----------
33
HHSearch
66.89
23%
-82
- C2 -
3QFU
3
GRP78_YEAST
A:
[16-393]
-------
N
Y
G
T
V
I
G
I
D
L
G
T
T
Y
S
C
V
A
V
M
K
N
G
---
K
T
E
I
L
A
N
EQG
N
R
I
T
------
P
S
Y
V
A
F
T
D
D
----------------
E
R
L
I
G
D
A
-----
A
K
N
Q
V
A
A
N
P
Q
N
T
I
F
DI
K
R
L
I
----
G
LKYND
R
S
V
Q
K
D
I
K
H
LP
F
N
V
V
N
K
DG
K
P
A
V
E
V
S
V
KG
E
K
K
V
F
----------------------------
T
P
E
E
I
S
G
M
-------------
I
L
G
K
M
K
Q
----------------------
I
A
E
--
D
-
Y
----
L
G
T
K
V
T
H
A
---
V
V
T
V
P
A
Y
F
N
D
A
Q
R
Q
A
T
K
D
A
G
T
I
A
G
L
N
V
L
R
I
V
N
E
P
T
A
A
A
I
A
Y
G
L
D
K
S-
D
----
K
E
-
H
Q
I
I
V
Y
D
L
G
G
G
T
F
D
V
S
L
L
S
I
E
N
--
G
V
F
EVQ
A
T
S
-----
G
D
T
H
L
G
G
E
D
F
D
Y
K
I
V
R
Q
----
L
I
K
A
F
K
K
K
-------------
H
G
IDVSDN
N
K
A
L
A
K
L
K
---------
R
------
E
A
E
K
A
K
R
A
L
S
S
Q
-
M
S
T
------
R
I
E
I
--
D
S
F
V
D
G
I
D
L
S
E
T
L
T
R
A
K
F
E
E
L
N
L
D
L
F
K
K
T
L
K
P
V
E
K
V
L
Q
D
S
G
L
E
--
K
K
D
V
-
D
D
I
V
L
V
G
G
S
T
R
I
P
K
V
Q
Q
L
L
E
S
Y
F
D
G
K
K
A
S
K
G
I
N
P
D
E
A
V
A
Y
G
A
A
V
Q
A
G
V
L
-----------
10
PsiBlast_PDB
66.84
23%
-82
- C2 -
3IUC
2
GRP78_HUMAN
A:
[29-375]
------------
V
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
K
N
G
RVE
I
---------
I
A
N
D
QGNRIT
P
S
Y
V
A
F
T
P
E
-----
G
E
R
L
I
G
D
A
A
K
N
Q
L
T
S
N
P
E
NTVFD
A
K
R
L
I
G
R
T
W
N
D
P
S
V
--
Q
Q
D
I
----
K
--------------------------------------
F
----------------------------
L
P
F
K
V
V
E
K
-------------
K
T
K
P
Y
I
Q
V
D
IGGG
Q
T
K
T
F
A
P
E
E
I
S
A
M
V
L
T
K
M
K
--
E
-
T
A
---
E
A
Y
L
G
K
K
V
T
H
A
V
V
T
V
P
A
Y
F
N
D
A
Q
R
Q
A
T
K
D
A
G
T
I
A
G
L
N
V
M
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
K
--
R
----
E
G
E
K
N
I
L
V
F
D
L
G
G
G
T
F
D
V
S
L
L
T
I
D
N
--
G
V
F
-----
E
VVATN
G
D
T
H
L
G
G
E
D
F
D
Q
R
V
M
E
H
----
F
I
K
L
Y
K
K
K
-------------
T
G
-------------
K
---------
D
VRKD
N
R
A
V
Q
K
L
R
R
E
V
E
K
A
-
K
R
A
L
-
S
S
Q
H
Q
A
R
I
E
I
E
S
F
Y
E
G
E
D
F
S
E
T
L
T
R
A
K
F
E
E
L
N
M
D
L
F
R
S
T
M
K
P
V
Q
K
V
L
E
D
S
D
L
K
-
K
S
D
I
D
E
--
I
V
L
V
G
G
S
T
R
I
P
K
I
Q
Q
L
V
K
E
---------------------------------------
14
PsiBlast_PDB
66.50
23%
-83
- C2 -
3LDP
1
GRP78_HUMAN
A:
[8-354]
------------
V
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
K
N
G
R
V
E
I
---------
I
A
N
D
QGNR
I
T
P
S
Y
V
A
F
T
P
E
-----
G
E
R
L
I
G
D
A
A
K
N
Q
L
T
S
N
P
E
NTVFD
A
K
R
L
I
G
R
T
W
N
D
P
S
V
--
Q
Q
D
I
----
K
--------------------------------------
F
----------------------------
L
P
F
K
V
V
E
K
-------------
K
T
K
P
Y
I
Q
V
D
IGGG
Q
T
K
T
F
A
P
E
E
I
S
A
M
V
L
T
K
M
K
--
E
-
T
A
---
E
A
Y
L
G
K
K
V
T
H
A
V
V
T
V
P
A
Y
F
N
D
A
Q
R
Q
A
T
K
D
A
G
T
I
A
G
L
N
V
M
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
K
--
R
----
E
G
E
K
N
I
L
V
F
D
L
G
G
G
T
F
D
V
S
L
L
T
I
D
N
--
G
V
F
-----
E
V
V
A
T
N
G
D
T
H
L
G
G
E
D
F
D
Q
R
V
M
E
H
----
F
I
K
L
Y
K
K
K
-------------
T
G
-------------
K
---------
D
VRKD
N
R
A
V
Q
K
L
R
R
E
V
E
K
A
-
K
R
A
L
-
S
S
Q
H
Q
A
R
I
E
I
E
S
F
Y
E
G
E
D
F
S
E
T
L
T
R
A
K
F
E
E
L
N
M
D
L
F
R
S
T
M
K
P
V
Q
K
V
L
E
D
S
D
L
K
-
K
S
D
I
D
E
--
I
V
L
V
G
G
S
T
R
I
P
K
I
Q
Q
L
V
K
E
---------------------------------------
20
PsiBlast_PDB
66.43
23%
-77
- C2 -
4IO8
1
HS71A_HUMAN
A:
[7-350]
------------
I
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
Q
H
G
KVE
I
---------
I
A
N
D
QGNRTT
P
S
Y
V
A
F
T
D
T
E
R
L
I
G
D
A
A
------
K
N
Q
V
A
L
N
P
Q
NTVFD
A
K
R
L
I
G
R
K
F
G
D
P
V
V
--
Q
S
D
M
----
K
H
WP
F
Q
V
I
N
---------------------------
D
G
D
K
----------------------------
P
K
V
Q
V
S
Y
K
G
D
T
K
A
F
Y
P
E
E
I
S
S
M
V
L
T
K
M
K
----------------------
E
I
A
--
E
-
A
Y
---
L
G
Y
P
V
T
N
A
---
V
I
T
V
P
A
Y
F
N
D
S
Q
R
Q
A
T
K
D
A
G
V
I
A
G
L
N
V
L
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
R
TG
K
----
G
E
-
R
N
V
L
I
F
D
L
G
G
G
T
F
D
V
S
I
L
T
I
D
D
--
G
I
F
E
V
K
A
T
A
-----
G
D
T
H
L
G
G
E
D
F
D
N
R
L
V
N
H
F
V
E
E
F
K
R
K
H
K
K
D
-------------
I
S
-------------
Q
N
K
R
A
V
R
R
L
R
T
------
A
C
E
R
A
K
R
T
L
S
S
S
-
T
Q
A
--
S
--
L
E
I
D
----
S
L
F
E
G
I
D
F
Y
T
S
I
T
R
A
R
F
E
E
L
C
S
D
L
F
R
S
T
L
E
P
V
E
K
A
L
R
D
A
K
L
D
K
A
Q
---
I
H
D
L
V
L
V
G
G
S
T
R
I
P
K
V
Q
K
L
L
-----------------------------------------
17
PsiBlast_PDB
66.42
23%
-75
- C2 -
3ATU
4
HS71A_HUMAN
A:
[11-354]
------------
I
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
Q
H
G
K
V
E
I
---------
I
A
N
D
QGNRTT
P
S
Y
V
A
F
T
D
T
E
R
L
I
G
D
A
A
------
K
N
Q
V
A
L
N
P
Q
NTVFD
A
K
R
L
I
G
R
K
F
G
D
P
V
V
--
Q
S
D
M
----
K
H
WP
F
Q
V
I
N
---------------------------
D
G
D
K
----------------------------
P
K
V
Q
V
S
Y
K
G
E
T
K
A
F
Y
P
E
E
I
S
S
M
V
L
T
K
M
K
----------------------
E
I
A
--
E
-
A
Y
---
L
G
Y
P
V
T
N
A
---
V
I
T
V
P
A
Y
F
N
D
S
Q
R
Q
A
T
K
D
A
G
V
I
A
G
L
N
V
L
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
R
TG
K
----
G
E
-
R
N
V
L
I
F
D
L
G
G
G
T
F
D
V
S
I
L
T
I
D
D
--
G
I
F
EVK
A
T
A
-----
G
D
T
H
L
G
G
E
D
F
D
N
R
L
V
N
H
F
V
E
E
F
K
R
K
H
K
K
D
-------------
I
S
-------------
Q
N
K
R
A
V
R
R
L
R
T
------
A
C
E
R
A
K
R
T
L
S
S
S
-
T
Q
A
--
S
--
L
E
I
D
----
S
L
F
E
G
I
D
F
Y
T
S
I
T
R
A
R
F
E
E
L
C
S
D
L
F
R
S
T
L
E
P
V
E
K
A
L
R
D
A
K
L
D
K
A
Q
---
I
H
D
L
V
L
V
G
G
S
T
R
I
P
K
V
Q
K
L
L
-----------------------------------------
12
PsiBlast_PDB
66.38
23%
-80
- C2 -
3LDN
-
GRP78_HUMAN
A:
[31-377]
------------
V
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
K
N
G
RVE
I
---------
I
A
N
D
QGNRIT
P
S
Y
V
A
F
T
P
E
-----
G
E
R
L
I
G
D
A
A
K
N
Q
L
T
S
N
P
E
NTVFD
A
K
R
L
I
G
R
T
W
N
D
P
S
V
--
Q
Q
D
I
----
K
--------------------------------------
F
----------------------------
L
P
F
K
V
V
E
K
-------------
K
T
K
P
Y
I
Q
V
DIGGG
Q
T
K
T
F
A
P
E
E
I
S
A
M
V
L
T
K
M
K
--
E
-
T
A
---
E
A
Y
L
G
K
K
V
T
H
A
V
V
T
V
P
A
Y
F
N
D
A
Q
R
Q
A
T
K
D
A
G
T
I
A
G
L
N
V
M
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
K
--
R
----
E
G
E
K
N
I
L
V
F
D
L
G
G
G
T
F
D
V
S
L
L
T
I
D
N
--
G
V
F
-----
E
V
V
A
T
N
G
D
T
H
L
G
G
E
D
F
D
Q
R
V
M
E
H
----
F
I
K
L
Y
K
K
K
-------------
T
G
-------------
K
---------
D
VRKD
N
R
A
V
Q
K
L
R
R
E
V
E
K
A
-
K
R
A
L
-
S
S
Q
H
Q
A
R
I
E
I
E
S
F
Y
E
G
E
D
F
S
E
T
L
T
R
A
K
F
E
E
L
N
M
D
L
F
R
S
T
M
K
P
V
Q
K
V
L
E
D
S
D
L
K
-
K
S
D
I
D
E
--
I
V
L
V
G
G
S
T
R
I
P
K
I
Q
Q
L
V
K
E
---------------------------------------
16
PsiBlast_PDB
66.29
23%
-77
- C2 -
3A8Y
1
HS71A_HUMAN
A:
[11-354]
------------
I
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
Q
H
G
K
V
E
I
---------
I
A
N
D
QGNRTT
P
S
Y
V
A
F
T
D
T
E
R
L
I
G
D
A
A
------
K
N
Q
V
A
L
N
P
Q
NTVFD
A
K
R
L
I
G
R
K
F
G
D
P
V
V
--
Q
S
D
M
----
K
HWP
F
Q
V
I
N
---------------------------
D
G
D
K
----------------------------
P
K
V
Q
V
S
Y
K
G
E
T
K
A
F
Y
P
E
E
I
S
S
M
V
L
T
K
M
K
----------------------
E
I
A
--
E
-
A
Y
---
L
G
Y
P
V
T
N
A
---
V
I
T
V
P
A
Y
F
N
D
S
Q
R
Q
A
T
K
D
A
G
V
I
A
G
L
N
V
L
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
R
TG
K
----
G
E
-
R
N
V
L
I
F
D
L
G
G
G
T
F
D
V
S
I
L
T
I
D
D
--
G
I
F
E
V
K
A
T
A
-----
G
D
T
H
L
G
G
E
D
F
D
N
R
L
V
N
H
F
V
E
E
F
K
R
K
H
K
K
D
-------------
I
S
-------------
Q
N
K
R
A
V
R
R
L
R
T
------
A
C
E
R
A
K
R
T
L
S
S
S
-
T
Q
A
--
S
--
L
E
I
D
----
S
L
F
E
G
I
D
F
Y
T
S
I
T
R
A
R
F
E
E
L
C
S
D
L
F
R
S
T
L
E
P
V
E
K
A
L
R
D
A
K
L
D
K
A
Q
---
I
H
D
L
V
L
V
G
G
S
T
R
I
P
K
V
Q
K
L
L
-----------------------------------------
11
PsiBlast_PDB
66.23
23%
-77
- C2 -
3LDL
1
GRP78_HUMAN
A:
[8-354]
------------
V
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
K
N
G
R
V
E
I
---------
I
A
N
D
QGNR
I
T
P
S
Y
V
A
F
T
P
E
-----
G
E
R
L
I
G
D
A
A
K
N
Q
L
T
S
N
P
E
NTVFD
A
K
R
L
I
G
R
T
W
N
D
P
S
V
--
Q
Q
D
I
----
K
--------------------------------------
F
----------------------------
L
P
F
K
V
V
E
K
-------------
K
T
K
P
Y
I
Q
V
DIGGG
Q
T
K
T
F
A
P
E
E
I
S
A
M
V
L
T
K
M
K
--
E
-
T
A
---
E
A
Y
L
G
K
K
V
THA
V
V
T
V
P
A
Y
F
N
D
A
Q
R
Q
A
T
K
D
A
G
T
I
A
G
L
N
V
M
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
K
--
R
----
E
G
E
K
N
I
L
V
F
D
L
G
G
G
T
F
D
V
S
L
L
T
I
D
N
--
G
V
F
-----
E
VV
A
T
N
G
D
T
H
L
G
G
E
D
F
D
Q
R
V
M
E
H
----
F
I
K
L
Y
K
K
K
-------------
T
G
-------------
K
---------
D
VRKDN
R
A
V
Q
K
L
R
R
E
V
E
K
A
-
K
R
A
L
-
S
S
Q
H
Q
A
R
I
E
I
E
S
F
Y
E
G
E
D
F
S
E
T
L
T
R
A
K
F
E
E
L
N
M
D
L
F
R
S
T
M
K
P
V
Q
K
V
L
E
D
S
D
L
K
-
K
S
D
I
D
E
--
I
V
L
V
G
G
S
T
R
I
P
K
I
Q
Q
L
V
K
E
---------------------------------------
15
PsiBlast_PDB
66.18
23%
-75
- C2 -
1S3X
5
HS71A_HUMAN
A:
[7-350]
------------
I
G
I
D
L
G
T
T
Y
S
C
I
G
V
F
Q
H
G
K
V
E
I
---------
I
A
N
D
QGNRTT
P
S
Y
V
A
F
T
D
T
E
R
L
I
G
D
A
A
------
K
N
Q
V
A
L
N
P
Q
NTVFD
A
K
R
L
I
G
R
K
F
G
D
P
V
V
--
Q
S
D
M
----
K
H
WP
F
Q
V
I
N
---------------------------
D
G
D
K
----------------------------
P
K
V
Q
V
S
Y
K
G
E
T
K
A
F
Y
P
E
E
I
S
S
M
V
L
T
K
M
K
----------------------
E
I
A
--
E
-
A
Y
---
L
G
Y
P
V
T
N
A
---
V
I
T
V
P
A
Y
F
N
D
S
Q
R
Q
A
T
K
D
A
G
V
I
A
G
L
N
V
L
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
R
TG
K
----
G
E
-
R
N
V
L
I
F
D
L
G
G
G
T
F
D
V
S
I
L
T
I
D
D
--
G
I
F
EVK
A
T
A
-----
G
D
T
H
L
G
G
E
D
F
D
N
R
L
V
N
H
F
V
E
E
F
K
R
K
H
K
K
D
-------------
I
S
-------------
Q
N
K
R
A
V
R
R
L
R
T
------
A
C
E
R
A
K
R
T
L
S
S
S
-
T
Q
A
--
S
--
L
E
I
D
----
S
L
F
E
G
I
D
F
Y
T
S
I
T
R
A
R
F
E
E
L
C
S
D
L
F
R
S
T
L
E
P
V
E
K
A
L
R
D
A
K
L
D
K
A
Q
---
I
H
D
L
V
L
V
G
G
S
T
R
I
P
K
V
Q
K
L
L
-----------------------------------------
19
PsiBlast_PDB
66.12
23%
-77
- C2 -
3AY9
5
HS71A_HUMAN
A:
[11-354]
------------
I
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
Q
H
G
K
V
E
I
---------
I
A
N
D
QGNRTT
P
S
Y
V
A
F
T
D
T
E
R
L
I
G
D
A
A
------
K
N
Q
V
A
L
N
P
Q
NTVFD
A
K
R
L
I
G
R
K
F
G
D
P
V
V
--
Q
S
D
M
----
K
H
WP
F
Q
V
I
N
---------------------------
D
G
D
K
----------------------------
P
K
V
Q
V
S
Y
K
G
E
T
K
A
F
Y
P
E
E
I
S
S
M
V
L
T
K
M
K
----------------------
E
I
A
--
E
-
A
Y
---
L
G
Y
P
V
T
N
A
---
V
I
T
V
P
A
Y
F
N
D
S
Q
R
Q
A
T
K
D
A
G
V
I
A
G
L
N
V
L
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
R
TG
K
----
G
E
-
R
N
V
L
I
F
D
L
G
G
G
T
F
D
V
S
I
L
T
I
D
D
--
G
I
F
E
V
K
A
T
A
-----
G
D
T
H
L
G
G
E
D
F
D
N
R
L
V
N
H
F
V
E
E
F
K
R
K
H
K
K
D
-------------
I
S
-------------
Q
N
K
R
A
V
R
R
L
R
T
------
A
C
E
R
A
K
R
T
L
S
S
S
-
T
Q
A
--
S
--
L
E
I
D
----
S
L
F
E
G
I
D
F
Y
T
S
I
T
R
A
R
F
E
E
L
C
S
D
L
F
R
S
T
L
E
P
V
E
K
A
L
R
D
A
K
L
D
K
A
Q
---
I
H
D
L
V
L
V
G
G
S
T
R
I
P
K
V
Q
K
L
L
-----------------------------------------
18
PsiBlast_PDB
66.04
23%
-73
- C2 -
3ATV
3
HS71A_HUMAN
A:
[11-354]
------------
I
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
Q
H
G
K
V
E
I
---------
I
A
N
D
QGNRTT
P
S
Y
V
A
F
T
D
T
E
R
L
I
G
D
A
A
------
K
N
Q
V
A
L
N
P
Q
NTVFD
A
K
R
L
I
G
R
K
F
G
D
P
V
V
--
Q
S
D
M
----
K
H
WP
F
Q
V
I
N
---------------------------
D
G
D
K
----------------------------
P
K
V
Q
V
S
Y
K
G
E
T
K
A
F
Y
P
E
E
I
S
S
M
V
L
T
K
M
K
----------------------
E
I
A
--
E
-
A
Y
---
L
G
Y
P
V
T
N
A
---
V
I
T
V
P
A
Y
F
N
D
S
Q
R
Q
A
T
K
D
A
G
V
I
A
G
L
N
V
L
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
R
TG
K
----
G
E
-
R
N
V
L
I
F
D
L
G
G
G
T
F
D
V
S
I
L
T
I
D
D
--
G
I
F
E
V
K
A
T
A
-----
G
D
T
H
L
G
G
E
D
F
D
N
R
L
V
N
H
F
V
E
E
F
K
R
K
H
K
K
D
-------------
I
S
-------------
Q
N
K
R
A
V
R
R
L
R
T
------
A
C
E
R
A
K
R
T
L
S
S
S
-
T
Q
A
--
S
--
L
E
I
D
----
S
L
F
E
G
I
D
F
Y
T
S
I
T
R
A
R
F
E
E
L
C
S
D
L
F
R
S
T
L
E
P
V
E
K
A
L
R
D
A
K
L
D
K
A
Q
---
I
H
D
L
V
L
V
G
G
S
T
R
I
P
K
V
Q
K
L
L
-----------------------------------------
13
PsiBlast_PDB
65.84
23%
-80
- C2 -
3LDO
1
GRP78_HUMAN
A:
[8-354]
------------
V
G
I
D
L
G
T
T
Y
S
C
V
G
V
F
K
N
G
R
V
E
I
---------
I
A
N
D
QGNR
I
T
P
S
Y
V
A
F
T
P
E
-----
G
E
R
L
I
G
D
A
A
K
N
Q
L
T
S
N
P
E
NTVFD
A
K
R
L
I
G
R
T
W
N
D
P
S
V
--
Q
Q
D
I
----
K
--------------------------------------
F
----------------------------
L
P
F
K
V
V
E
K
-------------
K
T
K
P
Y
I
Q
V
D
IGGG
Q
T
K
T
F
A
P
E
E
I
S
A
M
V
L
T
K
M
K
--
E
-
T
A
---
E
A
Y
L
G
K
K
V
T
H
A
V
V
T
V
P
A
Y
F
N
D
A
Q
R
Q
A
T
K
D
A
G
T
I
A
G
L
N
V
M
R
I
I
N
E
P
T
A
A
A
I
A
Y
G
L
D
K
--
R
----
E
G
E
K
N
I
L
V
F
D
L
G
G
G
T
F
D
V
S
L
L
T
I
D
N
--
G
V
F
-----
E
VV
A
T
N
G
D
T
H
L
G
G
E
D
F
D
Q
R
V
M
E
H
----
F
I
K
L
Y
K
K
K
-------------
T
G
-------------
K
---------
D
VRKD
N
R
A
V
Q
K
L
R
R
E
V
E
K
A
-
K
R
A
L
-
S
S
Q
H
Q
A
R
I
E
I
E
S
F
Y
E
G
E
D
F
S
E
T
L
T
R
A
K
F
E
E
L
N
M
D
L
F
R
S
T
M
K
P
V
Q
K
V
L
E
D
S
D
L
K
-
K
S
D
I
D
E
--
I
V
L
V
G
G
S
T
R
I
P
K
I
Q
Q
L
V
K
E
---------------------------------------