@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 : S1PR1_HUMAN: (2016-01-14 )
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
Atome Classification :
(20 SA)
.........10........20........30........40........50........60........70........80........90.......-.100...-.-.--...110.......120..-......------.130.......140.......150-.-.----.....160.......170.......180..--------------...-----..------.190-.-----...-----..-.---.200-.-.-.-....-210.......220.......230.......--------------------------------240------------------------------------------------------------------------------------------------------------------------------------.---------------------------------------------------------------------------------------------------------------------------------------------------.--------------......-.250.......260.......270.......280.......290.......300.......310.......320.......330.......340.......350.......360.......370.......380
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MGPTSV
P
L
V
K
A
H
R
S
S
V
S
DYV
N
Y
D
I
I
V
R
H
YNY
T
G
K
L
N
I
SADKEN
S
I
K
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
KTKKFHR
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
-
L
L
L-S-G--A
T
T
Y
K
L
T
P
A
Q
W
F
LR--EG-
S
M
F
V
A
L
------
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
M
K
LH-N-G----SN
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
LGGLPIM-
G
W
N
--------------
C
I
S
-----
A
L
------
S
S
C
--
S
-----
T
V
L
-----
P
L
-
Y
---HK
H
Y
-
I
-
L
-
F
-
C
T
T
V
-
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
S
R
R
L
T
F
R
K
--------------------------------N--------------------------------------------------------------------------------------------------------------------------------------I---------------------------------------------------------------------------------------------------------------------------------------------------
S
--------------
K
ASRSS-
E
K
S
L
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
L
F
I
L
L
L
L
DVGC
K
V
K
T
C
D
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
NSGTN
P
I
I
Y
TLT
N
K
E
M
R
R
A
F
I
R
I
M
S
C
CKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPE
T
I
MSSGNVNSSS
41
HHSearch
90.06
92%
-176
- C2 -
3V2Y
2
ENLYS_BPT4
A:
[34-495]
---------------
V
S
D
Y
V
N
Y
D
I
I
V
R
H
Y
N
Y
T
G
K
L
N
I
S
A
D
K
E
N
S
I
K
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
-
L
L
L
-
S
-
G
--
A
T
T
Y
K
L
T
P
A
Q
W
F
L
R
--
E
G
-
S
M
F
V
A
L
------
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-------------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
-
G
W
N
--------------
C
I
S
-----
A
L
------
S
S
C
--
S
-----
T
V
L
-----
P
L
-
Y
---
H
K
H
Y
-
I
-
L
-
F
-
C
T
T
V
-
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
N
I
F
E
M
L
R
I
--------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------
E
GLRL
K
I
Y
K
D
TE
G
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
--------------
A
Y
A
S
R
S
-
S
E
N
V
A
L
L
K
T
V
I
I
V
L
S
V
F
I
A
C
W
A
P
L
F
I
L
L
L
L
D
V
G
C
K
V
K
T
C
D
I
L
F
R
A
E
Y
F
L
V
L
A
V
L
N
S
G
T
N
P
I
I
Y
T
L
T
N
K
E
M
R
R
A
F
I
R
I
M
G
R
P
L
----------------------------------------------------
47
HHSearch
66.99
25%
-164
- C2 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-472]
-----------------------------------------------
Y
A
L
S
Y
C
A
L
I
L
A
I
V
F
G
N
G
L
V
C
M
A
V
L
K
E
R
A
L
Q
T
T
T
N
Y
L
V
V
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
-
V
V
Y
-
L
-
E
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
--
V
T
-
L
D
V
M
M
C
------
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
-
Q
-
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
-
G
F
N
--------------
T
T
G
-----
D
P
------
T
V
C
--
S
-----
I
S
N
-----
P
D
-------
F
V
-
I
-
Y
-
S
-
S
V
V
S
-
F
Y
L
P
F
G
V
T
V
L
V
Y
A
R
I
Y
V
V
L
K
Q
R
R
R
K
N
I
F
E
M
--------------------------------
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
------------------------------------------------------------------------------------------------------------------------------------------------
A
K
R
V
I
T
T
F
R
T
GTW--
D
A
Y
G
V
P
-
L
R
E
K
K
A
T
Q
M
V
A
I
V
L
G
A
F
I
V
C
W
L
P
F
F
L
T
H
V
L
N
T
H
C
Q
T
C
H
V
S
-
P
E
L
Y
S
A
T
T
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
T
F
N
I
E
F
R
K
A
F
L
K
I
L
S
C
------------------------------------------------------
43
HHSearch
66.95
24%
-162
- C2 -
3RZE
5
ENLYS_BPT4 (first)
A:
[11-443]
-----------------------------------------------
L
V
V
V
L
S
T
I
C
L
V
T
V
G
L
N
L
L
V
L
Y
A
V
R
S
E
R
K
L
H
T
V
G
N
L
Y
I
V
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
-
N
I
L
-
Y
L
L
--
M
S
K
W
S
L
G
R
P
L
C
L
F
W
--
L
S
-
M
D
Y
V
A
S
------
T
A
S
I
F
S
V
F
I
L
C
I
D
R
Y
R
S
V
Q
Q
P
L
R
Y
L
K
-
Y
----
R
T
K
T
R
A
S
A
T
I
L
G
A
W
F
L
S
F
L
W
V
I
P
-
I
L
-
G
W
N
--------------
H
--R----
R
E
------
D
K
C
--
E
-----
T
D
F
-----
Y
D
-
V
----
T
W
F
-
K
-
V
-
M
T
A
I
I
N
-
F
Y
L
P
T
L
L
M
L
W
F
Y
A
K
I
Y
K
A
V
R
Q
H
C
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
------------------------------------------------------------------------------------------------------------------
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
------------------------------------------------------------------
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
L
H
M
-
N
R
E
R
K
A
A
K
Q
L
G
F
I
M
A
A
F
I
L
C
W
I
P
Y
F
I
F
F
M
V
I
A
F
C
K
N
C
-
C
N
E
-
H
L
H
M
F
T
I
W
L
G
Y
I
N
S
T
L
N
P
L
I
Y
P
L
C
N
E
N
F
K
K
T
F
K
R
I
L
H
I
------------------------------------------------------
46
HHSearch
65.39
22%
-153
- C2 -
2RH1
16
ADRB2_HUMAN (first)
A:
[42-477]
----------------------------------------------
G
M
G
I
V
M
S
L
I
V
L
A
I
V
F
G
N
V
L
V
I
T
A
I
A
K
F
E
R
L
Q
T
V
T
N
Y
F
I
T
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
-
G
A
A
H
I
-
L
--
M
K
M
W
T
F
G
N
F
W
C
E
F
W
--
T
S
-
I
D
V
L
C
V
------
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
-
L
----
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
H
W
Y
--------------
R
A
T
H
Q
---
E
A
I
N
C
Y
A
E
E
T
C
--
C
-----
D
F
F
-----
T
------
N
Q
A
Y
-
A
-
I
-
A
S
S
I
V
S
-
F
Y
V
P
L
V
I
M
V
F
V
Y
S
R
V
F
Q
E
A
K
R
Q
L
N
I
F
E
M
L
R
--------------------------------
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
--
T
P
N
R
A
K
R
V
I
T
T
F
R
TGT------------------------------------------------------------------------------------------------------------------------------------
W
--------------
D
A
Y
K
F
C
-
L
K
E
H
K
A
L
K
T
L
G
I
I
M
G
T
F
T
L
C
W
L
P
F
F
I
V
N
I
V
H
V
I
Q
D
N
L
I
--
R
K
E
V
Y
I
L
L
N
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
-
R
S
P
D
F
R
I
A
F
Q
E
L
L
C
L
------------------------------------------------------
44
HHSearch
64.82
25%
-162
- C2 -
3EML
13
ENLYS_BPT4
A:
[23-470]
----------------------------------------------
V
Y
I
T
V
E
L
A
I
A
V
L
A
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
A
-
I
P
F
-
A
I
T
-
I
-
S
--
T
-
G
F
C
A
A
C
H
G
C
L
F
I
--
A
C
-
F
V
L
V
L
T
------
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
G
L
----
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
--------------
N
C
G
-----
Q
S
------
Q
G
C
--
G
-----
E
G
Q
VACLF
E
D
V
V
---
P
M
N
Y
M
V
-
Y
F
N
-
F
F
A
C
-
V
L
V
P
L
L
L
M
L
G
V
Y
L
R
I
F
L
A
A
R
R
Q
L
N
I
F
E
M
L
R
--------------------------------
I
D
E
GLRL
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T-
P
N
R
A
K
R
V
I
T
T
F
R
TGTW------------------------------------------------------------------------------------------------------------------------------------
D
--------------
A
Y
R
S
T
L
-
Q
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
-------------------------------------------------
9
PsiBlast_PDB
63.08
28%
-153
- C2 -
3UZA
1
AA2AR_HUMAN
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
T
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
-
N
-
G
L---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPG--------
C
G
E
-----
G
Q
------
V
A
C
L
F
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
A
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
------------------------------------------------------
6
PsiBlast_PDB
62.43
28%
-150
- C2 -
3PWH
1
?
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
T
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
-
N
-
G
L---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPG--------
C
G
E
-----
G
Q
------
V
A
C
LF
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
A
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
------------------------------------------------------
42
HHSearch
62.23
23%
-153
* C2 *
3UON
4
ACM2_HUMAN (first)
A:
[25-457]
----------------------------------------------
F
I
V
L
V
A
G
S
L
S
L
V
T
I
I
G
N
I
L
V
M
V
S
I
K
V
N
R
H
L
Q
T
V
N
N
Y
F
L
F
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
-
Y
T
L
Y
T
-
V
--
I
G
Y
W
P
L
G
P
V
V
C
D
L
W
--
L
A
-
L
D
Y
V
V
S
------
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
-
P
V
K
----
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
-
F
W
Q
--------------
F
I
V
GVRTV
E
D
------
G
E
C
--
Y
-----
I
Q
F
-----
F
S
-----
N
A
A
V
-
T
F
G
-
T
-
A
I
A
A
-
F
Y
L
P
V
I
I
M
T
V
L
Y
W
H
I
S
R
A
S
K
S
R
I
N
I
F
E
M
L
R
--------------------------------
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
----------------------------------------------------------------------------------
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P------------------------------------------------------------------
N
R
A
K
R
V
I
T
T
F
R
TGTW
D
A
Y
P
P
P
-
S
R
E
K
K
V
T
R
T
I
L
A
I
L
L
A
F
I
I
T
W
A
P
Y
N
V
M
V
L
I
N
T
F
C
A
P
C
I
--
P
N
T
V
W
T
I
G
Y
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
L
C
N
A
T
F
K
K
T
F
K
H
L
L
M
-------------------------------------------------------
10
PsiBlast_PDB
62.09
28%
-152
- C2 -
3UZC
1
AA2AR_HUMAN
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
T
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
-
N
-
G
L---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPG--------
C
G
E
-----
G
Q
------
V
A
C
L
F
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
A
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
------------------------------------------------------
8
PsiBlast_PDB
62.06
28%
-151
- C2 -
3RFM
1
AA2AR_HUMAN
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
T
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
-
N
-
G
L---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPG--------
C
G
E
-----
G
Q
------
V
A
C
L
F
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
A
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
------------------------------------------------------
1
PsiBlast_PDB
62.01
99%
-190
- C2 -
3V2W
2
ENLYS_BPT4 (first)
A:
[35-250]
----------------
S
D
Y
V
N
Y
D
I
I
V
R
H
Y
N
Y
T
G
K
L
N
I
S
A
-------
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
-
L
L
L
-
S
-
G
--
A
T
T
Y
K
L
T
P
A
Q
W
F
L
R
--
E
G
-
S
M
F
V
A
L
------
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-------------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
-
G
W
N
--------------
C
I
S
-----
A
L
------
S
S
C
--
S
-----
T
V
L
-----
P
L
-
Y
---
H
K
H
Y
-
I
-
L
-
F
-
C
T
T
V
-
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
N
I
F
E
M
L
R
I
--------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------
E
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
L
R
L
K
I
Y
-
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
7
PsiBlast_PDB
61.64
28%
-151
- C2 -
3REY
1
AA2AR_HUMAN
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
T
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
A
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
A
I
P
L
R
Y
-
N
-
G
L---
V
T
G
T
R
A
A
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPG--------
C
G
E
-----
G
Q
------
V
A
C
L
F
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
A
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
A
A
I
I
A
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
A
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
------------------------------------------------------
2
PsiBlast_PDB
61.27
99%
-181
- C2 -
3V2Y
2
ENLYS_BPT4
A:
[34-250]
---------------
V
S
D
Y
V
N
Y
D
I
I
V
R
H
Y
N
Y
T
G
K
L
N
I
S
A
D
K
E
N
S
I
K
L
T
S
V
V
F
I
L
I
C
C
F
I
I
L
E
N
I
F
V
L
L
T
I
W
K
T
K
K
F
H
R
P
M
Y
Y
F
I
G
N
L
A
L
S
D
L
L
A
G
V
A
Y
-
T
A
N
-
L
L
L
-
S
-
G
--
A
T
T
Y
K
L
T
P
A
Q
W
F
L
R
--
E
G
-
S
M
F
V
A
L
------
S
A
S
V
F
S
L
L
A
I
A
I
E
R
Y
I
T
M
L
K
-------------
N
N
F
R
L
F
L
L
I
S
A
C
W
V
I
S
L
I
L
G
G
L
P
I
M
-
G
W
N
--------------
C
I
S
-----
A
L
------
S
S
C
--
S
-----
T
V
L
-----
P
L
-
Y
---
H
K
H
Y
-
I
-
L
-
F
-
C
T
T
V
-
F
T
L
L
L
L
S
I
V
I
L
Y
C
R
I
Y
S
L
V
R
T
R
N
I
F
E
M
L
R
I
--------------------------------
D
--------------------------------------------------------------------------------------------------------------------------------------
E
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
L
R
L
K
I
Y
-
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
E
L
D
K
A
I
G
R
N
T
N
G
V
I
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
58
Fugue
60.88
19%
-115
- C2 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
--------
S
P
F
E
A
P
Q
Y
Y
L
A
E
P
W
Q
F
S
M
L
A
A
Y
M
F
L
L
I
M
L
G
F
P
I
N
F
L
T
L
Y
V
T
V
Q
H
K
K
L
R
T
P
L
N
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
G
G
-
F
T
T
-
T
L
Y
-
T
-
S
--
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
--
E
G
F
F
A
T
L
G
G
------
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
N
-
F
-
R
----
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
-
G
W
S
R
Y
I
-----------
P
E
G
-----
M
Q
------
C
S
C
--
G
I
DYYT
P
H
E
-----
E
T
-
N
---
N
E
S
F
-
V
-
I
-
Y
-
M
F
V
V
H
F
I
I
P
L
I
V
I
F
F
C
Y
G
Q
L
V
F
T
V
K
------------------------------------------
E
--------------------------------------------------------------------------------------------------------------------------------------
A
---------------------------------------------------------------------------------------------------------------------------------------------------
A
--------------
A
S
A
T
T
Q
-
K
A
E
K
E
V
T
R
M
V
I
I
M
V
I
A
F
L
I
C
W
L
P
Y
A
G
V
A
F
Y
I
F
T
H
Q
G
S
D
F
G
-
P
I
F
M
T
I
P
A
F
F
A
K
T
S
A
V
Y
N
P
V
I
Y
I
M
M
N
K
Q
F
R
N
C
M
V
T
T
L
C
C
G
K
N
P
S
T
T
V
----------------
S
K
T
E
T
S
Q
V
A
P
A
-------------------
11
PsiBlast_PDB
60.52
27%
-147
- C2 -
3VG9
8
?
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
---------------
A
I
P
F
A
I
T
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
FV
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
-
G
L---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQSQG-------
C
G
E
-----
G
Q
------
V
A
C
L
F
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
--------------------------------------------------
12
PsiBlast_PDB
59.87
27%
-148
- C2 -
3VGA
1
AA2AR_HUMAN
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
L
A
A
A
D
I
A
V
G
V
L
---------------
A
I
P
F
A
I
T
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
Q
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
-
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQSQG-------
C
G
E
-----
G
Q
------
V
A
C
L
F
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
---------------------------------------------------
16
PsiBlast_PDB
57.95
27%
-147
- C2 -
4UHR
1
AA2AR_HUMAN
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
-
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPKEGKAG---
C
G
E
-----
G
Q
------
V
A
C
LF
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
P
--------------------------------
L
--------------------------------------------------------------------------------------------------------------------------------------
P
---------------------------------------------------------------------------------------------------------------------------------------------------
G
--------------
E
R
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
-
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
Q
E
P
F
K
A
A
A
A
----------------------------------------
15
PsiBlast_PDB
57.87
27%
-158
- C2 -
4UG2
3
?
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
-
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPK
E
G
K
A
H
S
Q
G
C
G
E
-----
G
Q
------
V
A
C
LF
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
L
A
A
R
R
Q
L
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
R
S
T
L
Q
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
--------------------------------------------------
50
HHSearch
57.75
20%
-145
- C2 -
2Z73
5
OPSD_TODPA
A:
[34-333]
--------------------------------------------
Y
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
G
G
N
G
I
V
I
Y
L
F
T
K
T
K
S
L
Q
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
-
C
-
F
--
L
K
K
W
I
F
G
F
A
A
C
K
V
Y
--
G
F
-
I
G
G
I
F
G
------
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
-
K
----
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
-
G
W
G
--------------
A
Y
T
L
E
G--
V
L
------
C
N
C
--
S
-----
F
D
Y
-----
I
S
-
R
D
S
T
T
R
S
N
I
L
-
C
-
M
-
F
I
L
G
-
F
F
G
P
I
L
I
I
F
F
C
Y
F
N
I
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
--------------------------------
K
RLNAKE--------------------------------------------------------------------------------------------------------------------------------
L
---------------------------------------------------------------------------------------------------------------------------------------------------
R
--------------
K
A
Q
A
G
A
-
N
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
W
S
P
Y
A
V
V
A
L
L
A
Q
F
G
P
L
E
W
-
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
----------------------------
14
PsiBlast_PDB
57.75
27%
-154
- C2 -
2YDV
6
?
A:
[21-303]
-----------------------------------------------------------
I
L
G
N
V
L
V
C
W
A
V
W
L
N
S
N
L
Q
N
V
T
N
Y
F
V
V
S
A
A
A
A
D
I
L
V
G
V
L
---------------
A
I
P
F
A
I
A
I
S
T
G
F
C
A
A
C
H
G
-
C
L
F
I
A
C
F
V
L
V
L
T
A
S
S
I
F
S
L
L
A
I
A
I
D
R
Y
I
A
I
R
I
P
L
R
Y
-
N
-
G
L
---
V
T
G
T
R
A
K
G
I
I
A
I
C
W
V
L
S
F
A
I
G
L
T
P
M
L
-
G
W
N
NCGQPK
E
G
K
A
H
S
Q
G
C
G
E
-----
G
Q
------
V
A
C
LF
E
-----
D
V
V
-----
P
M
-
N
---
Y
M
V
Y
-
F
-
N
-
F
-
F
A
C
V
-
L
V
P
L
L
L
M
L
G
V
-
Y
L
R
I
F
L
A
A
R
R
Q
L
K
Q
M
E
S
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
T
L
Q
K
E
V
H
A
A
K
S
L
A
I
I
V
G
L
F
A
L
C
W
L
P
L
H
I
I
N
C
F
T
F
F
C
P
D
C
S
H
A
P
L
W
L
M
Y
L
A
I
V
L
S
H
T
N
S
V
V
N
P
F
I
Y
A
Y
R
I
R
E
F
R
Q
T
F
R
K
I
I
R
S
H
V
L
R
Q
Q
E
P
F
K
A
A
A
A
E
N
L
Y
F
Q
----------------------------------