@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 : SA0154: (2016-03-12 )
MVKKVFIMDSVKTIIGTLLIALGLQFLAYPIINQRVGNEAFGSILTIYTIITITSVVLGNTLNNIRLINMNLYKSNHYYWKFVSILLISILIESIALIIVFLYFFNLNTIDIIFLILLNILMCLRIYLNVFFRMTLKYNQILYIALIQFLGLLIGLFLYYLIQNWIVCFITSELFATIYTLVKLRGLTIGEYQSEDNNVVKDYVMLLSTNSLNNLNLYLDRLILLPIIGGTAVTISFLSTFIGKMLATFLYPINNVVLSYISVNESDNIKKQYLKTNLFAIAALCLVMIICYPITLIIVSLLYNIDSSLYSKFIILGNIGVLFNAVSIMIQTLNTKHASITLQANYMTLHTITFIFITILMTIAFGLNGFFWTTLFSNIIKYVILNIIGLKSKFINKKDVD
Atome Classification :
(12 SA)
--------------.........10........20........-30........40......------..50-..-----..-....--60..--......70..---.....-----.80...--.....90.-----------....-.---..100--.....----..---.-110-...---....120......-.130........140...------------....150.......---160.....--..170-.......--180....-..----.-----..190..-..--------....200.......210-------........220......---.230.......240.......250..---.....260......----..----270----.........280---------.........290..------.....300.--......-----310....---...320.......330.......340---..-.....-350.......360..--......370.......380......--.390.......400-----
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
--------------M
V
K
K
V
F
I
M
D
S
V
K
T
I
I
G
T
L
L
I
A
L
G
L
Q
F
L
A
Y
-
P
I
I
N
Q
RVG
N
E
A
F
G
S
I
L
T
I
------
Y
T
I
I
-
T
I
-----
T
S
-
V
V
L
G--NTLN--
N
I
R
L
I
N
M
N
L
Y---KSNH
Y
-----
Y
W
K
F
V
S
--
I
L
L
I
S
I
L
I
-----------
E
S
I
A
-
L
---
I
I
V
F
---
L
Y
F
FN----L
N
---
T
-
I
D
I
-
I
F
L
---
I
L
L
N
I
L
M
C
L
R
I
Y
L
-
N
V
F
-
F
R
M
T
LKYN
Q
I
L
Y
I
A
------------
L
I
Q
F
L
G
L
L
I
G
L
F
L
Y
---
Y
L
I
Q
N
W
I
V
--
C
F
I
T
S
-
E
L
F
A
T
I
Y
--
T
--
L
V
K
L-RG----
L
-----
T
IGE-YQ-SE--------DN
N
V
V
K
D
Y
V
M
LLSTNS--------LN
N
L
N
L
Y
L
D
R
L
I
L
L
PII---GG
T
A
V
T
I
S
F
L
S
T
F
I
G
K
M
L
A
T
F
L
Y
P
I
N
---
N
V
V
L
S
Y
I
-SVNESD----
N
I
----
K
------
K
Q
Y
L
K
T
N
L
F
A
-----------
I
A
A
L
C
L
V
M
I
I
C
Y
P
I
------
T
L
I
I
V
S
L
L
Y
--NI
D
S
S
L
-----
Y
S
K
F
I
I
L---G
N
I
G
V
L
F
N
A
V
S
I
M
I
Q
T
LNTK
H
A
S
I
T
L
---
Q
A
-
N
Y
M
T
L
-
H
T
I
T
F
I
F
I
T
I
L
M
-
T
I
--
A
F
GLN
G
F
F
W
T
T
L
F
S
N
I
I
K
Y
V
I
L
N
I
I--GL
K
S
KFINKKDVD------
10
Fugue
90.45
20%
-181
* C4 *
4K6N
1
PABC_YEAST
A:
[32-383]
PN
F
E
V
L
A
T
F
R
Y
D
PG
F
A
R
Q
---
S
A
S
K
K
E
I
F
E
T
P
D
P
R
L
G
L
R
---
D
-
E
D
I
R
Q
Q
I
I
N
E
D
Y
S
S
Y
L
R
V
------
R
E
V
N
-
S
-----------
G
G
--
D
L
L
E
--
N
I
Q
------------
H
P
D
-----
A
W
K
H
D
C
--
K
T
I
V
C
Q
R
V
-----------
E
D
M
L
-
Q
---
V
I
Y
E
---
R
F
F
L
-----------------------
L
D
E
Q
Y
Q
R
I
R
I
A
L
-
S
Y
F
K
I
D
F
S
T
S
L
N
D
L
L
K
L
L
------------
V
E
N
L
I
N
C
K
E
G
--------------------
N
S
-
E
Y
H
E
K
I
Q
--
K
--
M
I
N
E
-
R
----------------------------------
Q
C
Y
K
M
R
V
L
V
S
K
--------
T
G
D
I
R
I
E
A
I
P
M
P
M
E
P
I
L
---
K
L
T
T
D
Y
D
S
V
S
T
Y
F
I
K
T
M
L
N
G
F
L
I
D
S
T
I
N
W
D
V
V
V
S
S
E
-
P
L
N
A
S
A
----
F
T
----
S
------
F
K
T
T
S
R
D
H
Y
A
-----------
R
A
R
V
R
M
Q
T
A
I
N
N
L
R
GSEPT
S
S
V
S
Q
C
E
I
L
F
--
S
N
K
S
G
L
---------
L
M
E
---
G
S
I
----
T
N
V
A
V
I
Q
K
D
P
N
G
S
K
K
Y
V
T
P
---
R
L
-
A
T
G
C
L
-
C
G
---
T
M
R
H
Y
L
L
-
R
L
--
G
L
I
E
E
G
D
I
D
I
G
S
L
T
V
G
N
E
V
L
L
F
N
G
V
M
G
C
I
K
G
T
V
K
T
K
Y
---------
11
Fugue
83.60
15%
-145
- C4 -
3MK7
8
CCON1_PSEST
A:
[5-470]
------TSTAYSY
K
V
V
R
Q
F
A
I
M
T
V
V
W
G
I
V
G
M
G
L
G
V
F
I
A
A
Q
L
A
W
-
P
F
L
N
F
D
L
P
W
T
S
F
G
R
L
R
P
L
------
H
T
N
A
-
V
I
F
A
F
G
G
C
A
-
L
F
A
T
--
S
Y
Y
S
--
V
Q
R
T
C
Q
T
T
L
F
A
P
K
L
A
A
F
T
-----
F
W
G
W
Q
L
--
V
I
L
L
A
A
I
S
L
P
L
GFTSSKEY
A
E
L
E
-
W
---
P
I
D
I
---
L
I
T
I
V
----
W
V
---
A
-
Y
A
V
-
V
F
F
---
G
T
L
A
K
R
K
V
K
H
I
Y
V
G
N
W
F
-
F
G
A
F
I
L
T
V
A
I
L
H
V
V
N
N
LEIPVTAM
K
S
Y
S
L
Y
A
G
A
T
D
A
M
V
Q
W
---
W
Y
G
H
N
A
V
G
--
F
F
L
T
A
-
G
F
L
G
I
M
Y
--
Y
--
F
V
P
K
-
Q
A
ERPV
Y
-----
S
Y
R
L
-
S
I
-
V
H
--------
F
W
A
L
I
T
V
Y
I
W
A
G
P
H
H
L
HYTALP
D
W
A
Q
S
L
G
M
V
M
S
L
I
L
L
A
P
S
W
---
G
G
M
I
N
G
M
M
T
L
S
G
A
W
H
K
L
R
S
D
P
I
L
R
F
L
---
V
V
S
L
A
F
Y
-
G
M
S
T
F
E
----
G
P
----
M
------
M
A
I
K
T
V
N
A
L
S
HYTD
W
T
I
G
H
V
H
A
G
A
L
G
W
V
A
M
V
S
I
G
A
------
L
Y
H
L
V
P
K
V
F
--
G
-
R
E
Q
M
-----
H
S
I
G
L
I
N
---
T
H
F
W
L
A
T
I
G
T
V
L
Y
I
A
S
M
W
V
N
G
I
A
Q
G
L
---
M
W
R
A
I
N
D
D
-
G
T
L
T
Y
S
F
V
E
S
L
E
A
S
H
--
P
G
F
V
V
R
M
I
G
G
A
I
F
F
A
G
M
L
V
M
A
Y
N
T
W
--
R
T
V
Q
A
A
K
P
A
E
Y
D
A
A-----
16
Fugue
71.03
17%
-157
- C2 -
4BZF
3
GALM_BACSU
A:
[1-322]
-------------------
A
N
F
I
E
K
I
T
Y
L
G
T
P
A
I
K
A
G
N
E
H
L
E
M
-
I
V
V
P
E
------
W
G
S
-----------
N
V
I
-
S
L
-----
V
D
--------
K
T
T
--
N
V
Q
L
L
R
E
P
-----
E
T
A
E
S
-----
F
H
D
T
P
T
--
L
Y
G
I
P
I
L
F
-----------
P
P
N
R
-
I
SDG
T
F
S
F
RG
R
T
Y
H
F
D
----
I
N
---
E
-
K
D
-------------------------------
K
H
N
H
L
-------------------------
H
G
F
L
Y
---
H
--
E
K
W
N
V
--
V
T
T
K
Q
T
D
E
G
V
I
V
E
--
T
--
E
I
D
L
-
S
E
----
L
-----
P
H
V
Q
-
K
Q
---------------
F
P
H
H
A
V
V
R
M
T
Y
T
--------
I
K
E
N
T
L
F
K
H
A
T
V
M
N
K
G
K
---
E
A
F
P
W
G
I
G
Y
H
T
T
F
I
--------
F
P
A
E
---
S
S
L
F
S
L
--
T
A
D
Q
Q
W
----
E
L
----
D
------
E
R
L
L
P
T
G
K
L
M
-----------
D
V
P
Y
K
E
A
L
H
E
G
M
D
L
RHK---
Q
L
D
D
V
F
L
S
S
--
Y
Q
K
R
G
G
-----
E
N
Q
A
V
I
Y
H
QH
A
H
I
S
I
I
Y
K
A
D
E
Q
F
------
K
H
W
V
V
Y
N
ADG
K
Q
-
G
Y
L
C
P
-
E
P
Y
T
W
V
T
N
A
V
N
L
-
D
L
--
P
S
S
L
T
G
L
---
Q
V
L
E
P
G
E
E
T
T
A
K
S
S
I
--
T
I
E
L
N
--------------
4
HHSearch
67.95
10%
-134
- C5 -
3W4T
9
?
A:
[17-452]
----------------
K
K
A
I
V
R
L
S
I
A
M
M
I
G
M
S
V
-
Q
T
L
Y
N
L
A
D
G
-
I
W
-
V
S
G
L
G
P
E
S
L
A
A
V
G
L
F
------
F
P
V
F
-
M
G
-----
I
I
A
L
A
A
G
L
G
V
G
T
S
S
A
I
A
R
R
I
G
A
R
D
K
---
E
--
G
A
-----
D
N
V
A
V
H
--
S
L
I
L
S
L
I
L
-----------
G
V
T
I
T
I
---
T
M
L
P
A
I
D
S
L
F
R
S
M
GAK
G
E
A
V
E
L
A
I
E
Y
A
R
V
L
---
L
A
G
A
F
I
I
V
F
N
N
V
G
-
N
G
I
-
L
R
G
E
G
D
A
N
R
A
M
L
A
M
------------
V
L
G
S
G
L
N
I
V
L
D
P
I
F
IYT
L
G
F
G
V
V
G
A
A
Y
A
T
L
L
S
-
M
V
V
T
S
L
F
I
A
Y
W
L
F
V
K
R
-
D
T
----
Y
V
D
I
T
L
R
D
F
S
P
S
R
-
E
I
--------
L
K
D
I
L
R
V
G
L
P
S
S
L
S
Q
L
--------
S
M
S
I
A
M
F
F
L
N
S
V
A
I
T
A
G
---
G
E
N
G
V
A
V
F
T
S
A
W
R
I
T
M
L
G
I
V
P
I
L
G
M
A
---
A
A
T
T
S
V
T
-
G
A
A
Y
G
E
RN
V
E
K
L
----
E
------
T
A
Y
L
Y
A
I
K
I
A
-----------
F
M
I
E
L
A
V
V
A
F
I
M
L
F
------
A
P
Q
V
A
Y
L
F
T
--
Y
-----VI
K
G
D
L
I
S
A
L
R
T
---
L
P
V
F
L
V
L
T
P
F
G
M
M
T
S
A
M
F
Q
G
I
G
E
G
E
K
---
S
L
-
I
L
T
I
F
R
T
L
V
M
Q
V
G
F
A
Y
I
F
-
V
H
Y
T
T
L
G
L
R
G
V
W
I
G
I
V
I
G
N
M
V
A
A
I
V
G
F
L
W
--
G
R
M
R
I
S
A
L
K
----------
3
PsiBlast_PDB
67.69
21%
-134
- C5 -
3OE9
1
CXCR4_HUMAN (first)
A:
[92-297]
----------------------------
V
A
D
L
L
F
V
I
T
L
P
F
W
A
V
D
A
V
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
------
Y
T
V
N
-
L
Y
-----
S
S
-
V
W
I
L
--
A
F
I
S
--
L
D
R
Y
L
A
I
V
H
A
---
T
N
S
Q
R
-----
P
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
-----------
P
A
L
L
-
L
---
T
I
P
D
---
F
I
F
A
N
----
V
S
---
E
-
A
D
-----------
D
R
Y
I
C
D
R
F
Y
P
-
N
------------
D
L
W
V
V
------------
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
---
G
I
V
I
L
S
C
Y
--
C
I
I
I
S
-
K
L
S
H
N
I
F
--
E
--
M
L
R
I
D
E
G
----
L
-----
R
L
K
I
-
Y
K
-----------
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
67.35
21%
-128
- C5 -
3OE0
1
CXCR4_HUMAN (first)
A:
[92-290]
----------------------------
V
A
D
L
L
F
V
I
T
L
P
F
W
A
V
D
A
V
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
------
Y
T
V
N
-
L
Y
-----
S
S
-
V
W
I
L
--
A
F
I
S
--
L
D
R
Y
L
A
I
V
H
A
---
T
N
S
Q
R
-----
P
R
K
L
L
A
EK
V
V
Y
V
G
V
W
I
-----------
P
A
L
L
-
L
---
T
I
P
D
---
F
I
F
A
N
----
V
S
---
E
-
A
D
-----------
D
R
Y
I
C
D
R
F
Y
P
-
N
------------
D
L
W
V
V
------------
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
---
G
I
V
I
L
S
C
Y
--
C
I
I
I
S
-
K
L
S
H
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
65.46
21%
-125
- C5 -
4RWS
-
CXCR4_HUMAN (first)
A:
[91-286]
----------------------------
V
A
D
L
L
F
V
I
T
L
P
F
W
A
V
D
A
V
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
------
Y
T
V
N
-
L
Y
-----
S
S
-
V
W
I
L
--
A
F
I
S
--
L
D
R
Y
L
A
I
V
H
A
---
T
N
S
Q
R
-----
P
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
-----------
P
A
L
L
-
L
---
T
I
P
D
---
F
I
F
A
N
----
V
S
---
E
-
A
D
D
-
R
Y
I
----------
C
C
R
F
Y
P
-
N
------------
D
L
W
V
V
------------
V
F
Q
F
Q
H
I
M
V
G
L
I
L
P
---
G
I
V
I
L
S
C
Y
--
C
I
I
I
S
-
K
L
S
H
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
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
Fugue
65.29
14%
-137
- C3 -
3J9O
-
?
B:
[79-505]
--------------
V
I
D
K
L
I
D
L
Q
V
N
S
I
I
S
N
D
E
F
R
A
L
E
Q
E
W
L
K
V
-
Q
E
V
C
Q
E
D
Y
D
N
V
E
V
S
I
L
D
V
K
K
E
E
L
Q
Y
D
F
E
R
N
L
-----
Y
D
-
I
S
S
S
--
D
F
F
K
--
K
V
Y
V
S
E
F
D
Q
Y
---
G
G
E
P
Y
G
AILG
L
Y
N
F
E
N
--
T
T
N
D
I
I
W
L
-----------
T
G
M
G
-
M
---
V
A
K
N
---
S
H
A
P
F
----
I
A
---
S
-
I
D
K
-
S
F
F
GVK
D
L
S
E
I
T
H
I
K
S
F
E
A
-
L
L
E
-
H
P
R
Y
K
E
W
N
D
F
R
N
L
D
------------
V
A
A
Y
I
G
L
T
V
G
D
F
M
L
RQP
Y
N
P
E
N
N
P
V
--
Q
Y
K
L
M
-
E
G
F
N
E
F
V
--
D
--
Y
D
K
N
-
E
S
----
Y
-----
L
W
G
P
-
A
S
-
I
H
L
-------
V
K
N
M
M
R
S
Y
D
K
T
R
W
F
Q
Y
--------
I
R
G
V
E
S
G
G
Y
V
K
N
L
V
A
C
V
Y
D
N
K
G
I
L
E
T
K
S
P
L
N
V
L
F
A
D
Y
M
E
L
S
L
A
N
I
G
-----
L
I
P
F
V
-
S
E
K
G
T
S
----
N
A
----
C
F
FSVNS
A
K
K
V
E
E
F
V
D
G
-----------
F
D
S
A
N
S
R
L
I
A
N
L
S
Y
------
T
M
C
I
S
R
I
S
H
--
Y
I
K
C
V
I
-----
R
D
K
I
G
S
I
---
V
D
V
E
S
I
Q
K
I
L
S
D
W
I
S
E
F
V
T
T
----
V
Y
---
Q
P
-
T
P
L
E
M
-
A
R
Y
P
F
R
N
V
S
I
E
V
-
K
T
--
I
P
G
K
P
G
--
W
Y
S
C
K
I
N
V
I
P
H
I
Q
F
E
G
M
--
N
T
T
M
T
I
D
T
R
L
E
P
E
LFGTNN
5
HHSearch
57.97
11%
-113
- C5 -
3W4T
8
?
A:
[13-217]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
G
-
D
P
--------
K
K
A
I
V
R
L
S
I
A
M
M
I
G
M
S
--------
V
Q
T
L
Y
N
L
A
D
G
I
W
V
S
G
-
L
---
G
P
E
S
L
A
A
V
G
L
F
F
P
V
F
M
G
I
I
A
L
A
A
G
L
G
---
V
G
T
S
S
A
I
-
A
R
R
I
G
A
----
R
D
K
E
G
A
D
------
N
V
A
V
H
S
L
I
L
S
-----------
L
I
L
G
V
T
I
T
I
T
M
L
P
A
------
I
D
S
L
F
R
S
M
G
AK
G
E
A
V
E
L
-----
A
I
E
Y
A
R
V
---
L
L
A
G
A
F
I
I
V
F
N
N
V
G
N
G
I
L
R
G
E
G
D
A
N
R
---
A
M
-
L
A
M
V
L
-
G
S
G
L
N
I
V
L
D
P
I
F
-
I
Y
TL
G
F
G
V
V
G
A
A
Y
A
T
L
L
S
M
V
V
T
S
L
F
-------------------------
17
Fugue
41.83
16%
-5
* C5 *
4OM3
2
TLE1_HUMAN
A:
[10-126]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
F
T
I
P
E
S
--
L
D
R
I
K
-
E
E
F
Q
F
L
Q
--
A
--
Q
Y
H
S
-
L
K
----
L
-----
E
C
E
K
-
L
A
-
S
E
--------
K
T
E
M
Q
R
H
Y
V
M
Y
Y
E
M
S
Y
--------
G
L
N
I
E
M
H
K
Q
T
E
I
A
K
R
L
N
---
T
I
C
A
Q
V
I
P
F
L
S
Q
E
H
Q
Q
Q
V
A
Q
A
V
E
R
A
K
---
Q
V
T
M
A
E
L
N
A
I
I
G
Q
Q
----
Q
L
----
Q
------
A
Q
H
L
S
H
------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
Fugue
40.07
14%
4
- C5 -
2AN7
-
PARD_ECOLX
A:
[1-83]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
S
R
L
T
--
I
D
M
T
D
-
Q
Q
H
Q
S
L
K
--
A
--
L
A
A
L
-
Q
G
----
K
-----
T
I
K
Q
-
Y
A
-
L
E
R
L
F
PGDAD
A
D
Q
A
W
Q
E
L
K
T
M
L
G
N
R
I
--------
N
D
G
L
A
G
K
V
S
T
K
S
V
G
E
I
L
---
D
E
E
L
S
G
D
R
A
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
HHSearch
1.72
0%
1339
- C1 -
1AFO
-
GLPA_HUMAN
A:
[74-82]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
L
I
I
F
G
V
M
A
---------------------------------