@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 : jhp_1345: (2015-12-22 )
MKNTSSSTTLTMNDTIAAIATPLGKGAISIIKISGHNALNILKQLTQKQDFTPRYAYVCDIFSDGVLLDKALVIYFKAPYSFTGEDVCEIQCHGSPLLAQNILQACLNLGARLAKAGEFSKKAFLNHKMDLSEIEASVQLILCEDESVLNALARQLKGELKIFIEEARNNLLKLLASSEVLIDYSEEDIPSDFLKEVSFNLEKQIASFKDLLDFSNAQKQRNKGHALSIVGKPNAGKSSLLNAMLLEERALVSDIKGTTRDTIEEVIELKGHKVRLIDTAGIRESADEIERLGIEKSLKSLENCDIILGVFDLSKPLEKEDFNLMDTLNRTKKPCIVVLNKNDLAPKLELEILKSYLKIPYSILETNTLNSKACLKDLSQKISEFFPKLDTQNKLLLTSLAQTTALENAITELQNAKSHLDTLELFSYHILSAIENLNLLTRPYETSQMLDSMFSEFCLGK
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.....--..390.--.-.......400.......410....---...420--........430.......440.......450.......460
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKNTSSS
T
T
L
T
MND
T
I
A
A
I
ATP--L--GKG
A
I
S
I
I
K
ISGH
N
A
L
N
I
L
-
K
Q
-
L
---
T
Q
KQ-------DFTP
R
---
Y
A
-------
Y
V
C
DIFS--DG
V
L
L
D
K
A
L
V
I
Y
FKAPYSFTGE
D
V
C
E
I
Q
CHGS
P
L
L
A
Q
N
I
L
Q
A
C
L
N
L
G
A
R
L
A
KAGEF
S
K
K
A
F
L
NHKM
D
L
S
E
I
E
A
S
V
Q
L
I
L
CE
D
E
S
V
L
N
A
L
A
R
Q
LKG
E
L
K
I
F
I
E
E
A
R
N
N
L
L
K
L
LASS
E
V
L
I
DYSEEDI
P
S
D
F
L
K
E
V
S
F
N
L
E
K
Q
I
A
S
F
K
D
L
L
D
F
S
N
A
Q
K
QRNKG
H
A
L
S
I
V
GKPNA
G
K
S
S
L
L
N
A
M
L
L
E
E
R
A
L
V
S
DIKGT
T
R
D
T
I
E
E
V
I
E
LKG
H
K
V
R
L
I
D
TAGIR-
E
-
S
A
---
D
-
E
I
E
R
L
G
I
E
K
S
-----
L
K
-SLENC
D
I
I
L
G
VFDLSKPLEKED
F
N
L
M
D
T
LN-R--TKK
P
C
---
I
V
V
L
NKNDLA
P
K
L
E
L
----
E
-------------
I
L
K
S
Y
---
L
KI
P
Y
S
I
LETNTL
N
S
K
A
C
L
K
---
D
----
L
S
Q
K
I
S
E
F
F
P--KLD--T--Q-N
K
L
L
L
T
S
L
A
Q
T
T
A
L
E
N
A
I
T
E
L
Q
N
A
---
K
S
H
L
D
---
T
L
E
L
F
S
Y
H
I
L
S
A
I
ENLNLLTRPY
E
T
S
Q
M
L
D
S
M
F
S
E
FCLGK
64
Fugue
94.72
38%
-82
* C4 *
1XZP
3
MNME_THEMA
A:
[27-482]
------
S
S
V
D
K
L
M
D
T
I
V
A
V
A
T
P
--
P
--
G
K
G
A
I
A
I
L
R
L
S
G
P
D
S
W
K
I
V
-
Q
K
H
L
---
R
T
R
S
-------
K
I
V
P
R
---
K
A
-------
I
H
G
W
I
H
E
--
N
G
E
D
V
D
E
V
V
V
V
F
Y
K
S
P
K
S
Y
T
G
E
D
M
V
E
V
M
C
H
G
G
P
L
V
V
K
K
L
L
D
L
F
L
K
S
G
A
R
M
A
E
P
G
E
F
T
K
R
A
F
L
N
G
K
M
D
L
T
S
A
E
A
V
R
D
L
I
E
A
K
S
E
T
S
L
K
L
S
L
R
N
L
K
G
G
L
R
D
F
V
D
S
L
R
R
E
L
I
E
V
L
A
E
I
R
V
E
L
D
Y
P
D
E
I
E
T
N
--
T
G
E
V
V
T
R
L
E
R
I
K
E
K
L
T
E
E
L
K
K
A
D
A
G
I
L
L
N
R
G
L
R
M
V
I
V
G
K
P
N
V
G
K
S
T
L
L
N
R
L
L
N
E
D
R
A
I
V
T
D
I
P
G
T
T
R
D
V
I
S
E
E
I
V
I
R
G
I
L
F
R
I
V
D
T
A
G
V
R
S
E
-
T
N
---
D
-
L
V
E
R
L
G
I
E
R
T
-----
L
Q
-
E
I
E
K
A
D
I
V
L
F
V
L
D
A
S
S
P
L
D
E
E
D
R
K
I
L
E
R
I
K
-----
N
K
R
Y
---
L
V
V
I
N
K
V
D
V
V
E
K
I
N
E
----
E
-------------
E
I
K
N
K
---
L
G
T
D
R
H
M
V
K
I
S
A
L
K
G
E
G
-
L
E
---
K
----
L
E
E
S
I
Y
R
E
T
Q
--
E
I
F
--
E
--
R
G
S
D
S
L
I
T
N
L
R
Q
K
Q
L
L
E
N
V
K
G
H
L
E
D
A
---
I
K
S
L
K
E
GM
P
V
D
M
A
S
I
D
L
E
R
A
L
N
L
L
D
E
V
T
G
R
S
F
R
E
D
L
L
D
T
I
F
S
N
F
C
V
G
K
1
PsiBlast_PDB
93.00
38%
-80
- C4 -
1XZP
3
MNME_THEMA
A:
[27-482]
------
S
S
V
D
K
L
M
D
T
I
V
A
V
A
T
P
--
P
--
G
K
G
A
I
A
I
L
R
L
S
G
P
D
S
W
K
I
V
Q
K
H
-
L
---
R
T
R
S
-------
K
I
V
P
R
---
K
A
-------
I
H
G
W
I
H
E
--
N
G
E
D
V
D
E
V
V
V
V
F
Y
K
S
P
K
S
Y
T
G
E
D
M
V
E
V
M
C
H
G
G
P
L
V
V
K
K
L
L
D
L
F
L
K
S
G
A
R
M
A
E
P
G
E
F
T
K
R
A
F
L
N
G
K
M
D
L
T
S
A
E
A
V
R
D
L
I
E
A
K
S
E
T
S
L
K
L
S
L
R
N
L
K
G
G
L
R
D
F
V
D
S
L
R
R
E
L
I
E
V
L
A
E
I
R
V
E
L
D
Y
P
D
E
-
I
E
T
N
-
T
G
E
V
V
T
R
L
E
R
I
K
E
K
L
T
E
E
L
K
K
A
D
A
G
I
L
L
N
R
G
L
R
M
V
I
V
G
K
P
N
V
G
K
S
T
L
L
N
R
L
L
N
E
D
R
A
I
V
T
D
I
P
G
T
T
R
D
V
I
S
E
E
I
V
I
R
G
I
L
F
R
I
V
D
T
A
G
V
R
S
E
-
T
N
---
D
-
L
V
E
R
L
G
I
E
R
T
-----
L
Q
-
E
I
E
K
A
D
I
V
L
F
V
L
D
A
S
S
P
L
D
E
E
D
R
K
I
L
E
R
I
K
-----
N
K
R
Y
---
L
V
V
I
N
K
V
D
V
V
E
K
I
N
E
----
E
-------------
E
I
K
N
K
---
L
G
T
D
R
H
M
V
K
I
S
A
L
K
G
E
G
L
E
K
L
E
E
S
----
I
Y
R
E
T
Q
E
I
F
E
--
R
-------
G
-
S
D
S
L
I
T
N
L
R
Q
K
Q
L
L
E
N
V
K
G
H
L
E
D
A
---
I
K
S
L
K
E
GM
P
V
D
M
A
S
I
D
L
E
R
A
L
N
L
L
D
E
V
T
G
R
S
F
R
E
D
L
L
D
T
I
F
S
N
F
C
V
G
K
2
PsiBlast_PDB
92.32
38%
-89
- C4 -
1XZQ
2
?
A:
[34-482]
-------------
D
T
I
V
A
V
A
T
P
--
P
--
G
K
G
A
I
A
I
L
R
L
S
G
P
D
S
W
K
I
V
Q
K
H
-
L
---
R
T
R
S
-------
K
I
V
P
R
---
K
A
-------
I
H
G
W
I
H
E
--
N
G
E
D
V
D
E
V
V
V
V
F
Y
K
S
P
K
S
Y
T
G
E
D
M
V
E
V
M
C
H
G
G
P
L
V
V
K
K
L
L
D
L
F
L
K
S
G
A
R
M
A
E
P
G
E
F
T
K
R
A
F
L
N
G
K
M
D
L
T
S
A
E
A
V
R
D
L
I
E
A
K
S
E
T
S
L
K
L
S
L
R
N
L
K
G
G
L
R
D
F
V
D
S
L
R
R
E
L
I
E
V
L
A
E
I
R
V
E
L
D
Y
P
D
E
-
I
E
T
N
-
T
G
E
V
V
T
R
L
E
R
I
K
E
K
L
T
E
E
L
K
K
A
D
A
G
I
L
L
N
R
G
L
R
M
V
I
V
G
K
P
N
V
G
K
S
T
L
L
N
R
L
L
N
E
D
R
A
I
V
T
D
I
P
G
T
T
R
D
V
I
S
E
E
I
V
I
R
G
I
L
F
R
I
V
D
T
A
G
V
R
S
E
-
T
N
---
D
-
L
V
E
R
L
G
I
E
R
T
-----
L
Q
-
E
I
E
K
A
D
I
V
L
F
V
L
D
A
S
S
P
L
D
E
E
D
R
K
I
L
E
R
I
K
-----
N
K
R
Y
---
L
V
V
I
N
K
V
D
V
V
E
K
I
N
E
----
E
-------------
E
I
K
N
K
---
L
G
T
D
R
H
M
V
K
I
S
A
L
K
G
E
G
L
E
K
L
E
E
S
----
I
Y
R
E
T
Q
E
I
F
E
--
R
-------
G
-
S
D
S
L
I
T
N
L
R
Q
K
Q
L
L
E
N
V
K
G
H
L
E
D
A
---
I
K
S
L
K
E
GM
P
V
D
M
A
S
I
D
L
E
R
A
L
N
L
L
D
E
V
T
G
R
S
F
R
E
D
L
L
D
T
I
F
S
N
F
C
V
G
K
41
HHSearch
91.72
38%
-80
- C4 -
1XZP
3
MNME_THEMA
A:
[27-482]
------
S
S
V
D
K
L
M
D
T
I
V
A
V
A
T
P
--
P
--
G
K
G
A
I
A
I
L
R
L
S
G
P
D
S
W
K
I
V
-
Q
K
-
H
---
L
R
T
R
S------
K
I
V
P
R
---
K
A
-------
I
H
G
W
I
H
E
--
N
G
E
D
V
D
E
V
V
V
V
F
Y
K
S
P
K
S
Y
T
G
E
D
M
V
E
V
M
C
H
G
G
P
L
V
V
K
K
L
L
D
L
F
L
K
S
G
A
R
M
A
E
P
G
E
F
T
K
R
A
F
L
N
G
K
M
D
L
T
S
A
E
A
V
R
D
L
I
E
A
K
S
E
T
S
L
K
L
S
L
R
N
L
K
G
G
L
R
D
F
V
D
S
L
R
R
E
L
I
E
V
L
A
E
I
R
V
E
L
D
Y
P
D
E
I
E
T
N
T
--
G
E
V
V
T
R
L
E
R
I
K
E
K
L
T
E
E
L
K
K
A
D
A
G
I
L
L
N
R
G
L
R
M
V
I
V
G
K
P
N
V
G
K
S
T
L
L
N
R
L
L
N
E
D
R
A
I
V
T
D
I
P
G
T
T
R
D
V
I
S
E
E
I
V
I
R
G
I
L
F
R
I
V
D
T
A
G
V
R
-
S
E
T
N
---
D
-
L
V
E
R
L
G
I
E
R
T
-----
L
Q
-
E
I
E
K
A
D
I
V
L
F
V
L
D
A
S
S
P
L
D
E
E
D
R
K
I
L
E
R
I
K
-----
N
K
R
Y
---
L
V
V
I
N
K
V
D
V
V
E
K
I
N
E
----
E
E
I
K
N
K
--------
L
G
T
D
R
---
H
M
V
K
I
S
A
L
------
K
G
E
G
L
E
---
K
----
L
E
E
S
I
Y
R
E
T
Q
--
E
I
F
E
-
R
--
G
-
S
D
S
L
I
T
N
L
R
Q
K
Q
L
L
E
N
V
K
G
H
L
E
D
A
---
I
K
S
L
K
E
GM
P
V
D
M
A
S
I
D
L
E
R
A
L
N
L
L
D
E
V
T
G
R
S
F
R
E
D
L
L
D
T
I
F
S
N
F
C
V
G
K
40
HHSearch
88.10
33%
-87
- C4 -
3GEE
2
MNME_CHLTE
A:
[12-476]
---------
P
V
P
G
H
P
I
A
A
I
A
T
P
--
V
--
G
V
G
A
L
A
I
V
R
I
S
G
A
G
V
L
D
L
A
-
D
R
-
V
---
F
R
K
V
HGSGKLA
E
A
A
G
Y
---
T
A
-------
H
F
G
R
L
Y
D
--
G
E
E
M
V
D
E
V
I
A
L
V
F
R
A
P
R
S
F
T
A
E
Q
M
V
E
F
T
C
H
G
G
P
V
V
V
G
R
V
L
R
L
M
L
D
N
G
C
R
L
A
E
P
G
E
F
T
R
R
A
F
L
N
G
R
I
D
L
L
Q
A
E
A
I
G
E
M
I
H
A
R
T
E
S
A
Y
R
T
A
V
S
Q
M
K
G
D
L
S
V
R
L
G
G
L
R
E
Q
L
I
R
S
C
A
L
I
E
L
E
L
D
F
S
E
E
D
V
E
F
Q
S
R
D
E
L
T
M
Q
I
E
T
L
R
S
E
V
N
R
L
I
D
S
Y
Q
H
G
R
I
V
S
E
G
V
S
T
V
I
A
G
K
P
N
A
G
K
S
T
L
L
N
T
L
L
------------------
E
E
C
F
I
H
D
K
T
M
F
R
L
T
D
-------------------------------
M
-
K
M
A
E
A
D
L
I
L
Y
L
L
D
L
G
T
E
R
L
D
D
E
L
T
E
I
R
E
L
K
-
A
A
H
P
A
A
K
F
---
L
T
V
A
N
K
L
D
R
A
A
N
A
D
A
----
L
I
R
A
I
A
--------
D
G
T
G
T
---
E
V
I
G
I
S
A
L
------
N
G
D
G
I
D
---
T
----
L
K
Q
H
M
G
D
L
V
K
--
N
L
D
K
L
H
--
E
-
A
S
V
L
V
T
S
L
R
H
Y
E
A
L
R
N
A
S
D
A
L
Q
N
A
---
L
E
L
I
A
HES
E
T
E
L
I
A
F
E
L
R
A
A
L
D
Y
V
G
Q
I
T
G
K
V
V
N
E
E
V
L
N
T
I
F
D
K
F
C
I
G
K
5
PsiBlast_PDB
87.75
33%
-84
- C4 -
3GEH
4
MNME_NOSS1
A:
[4-462]
---------
M
A
I
T
G
T
I
A
A
I
A
T
A
--
I
V
P
Q
Q
G
S
V
G
I
V
R
V
S
G
S
Q
A
I
A
I
A
-
Q
T
-
L
F
D
A
P
G
K
Q
-------
V
W
E
S
H
R
I
L
Y
G
-------
Y
I
R
H
P
Q
T
--
R
Q
I
V
-
D
E
A
L
L
L
L
M
K
A
P
R
S
Y
T
R
E
D
V
V
E
F
H
C
H
G
G
I
I
A
V
Q
Q
V
L
Q
L
C
L
E
S
G
A
R
L
A
Q
P
G
E
F
T
L
R
A
F
L
N
G
R
L
D
L
T
Q
A
E
S
I
A
D
L
V
G
A
R
S
P
Q
A
A
Q
T
A
L
A
G
L
Q
G
K
L
A
H
P
I
R
Q
L
R
A
N
C
L
D
I
L
A
E
I
E
A
R
I
D
F
-
E
E
D
L
P
P
L
D
D
E
A
I
I
S
D
I
E
N
I
A
A
E
I
S
Q
L
L
A
T
K
D
K
G
E
L
L
R
T
G
L
K
V
A
I
V
G
R
P
N
V
G
K
S
S
L
L
N
A
W
S
Q
S
D
R
A
I
V
T
D
L
P
G
T
T
R
D
V
V
E
S
Q
L
V
V
G
G
I
P
V
Q
V
L
D
-------------------------------
Q
-
A
A
N
T
A
D
L
V
L
L
T
I
D
A
A
T
G
W
T
T
G
D
Q
E
I
Y
E
Q
V
K
-
H
----
R
P
L
---
I
L
V
M
N
K
I
D
L
V
E
K
Q
---------------------
L
I
T
S
---
L
E
Y
P
E
N
I
--
T
Q
I
V
H
T
A
A
A
Q
K
---
Q
G
I
D
S
L
E
T
A
I
L
E
I
V
Q
TG
K
V
Q
--
A
--
A
-
D
M
D
L
A
I
N
Q
R
Q
A
A
A
L
T
Q
A
K
M
S
L
E
Q
V
---
Q
A
T
I
T
Q
QL
P
L
D
F
W
T
I
D
L
R
G
A
I
Q
A
L
G
E
I
T
G
E
E
V
T
E
S
V
L
D
R
I
F
S
R
F
C
I
G
K
42
HHSearch
87.35
32%
-88
- C4 -
3GEH
4
MNME_NOSS1
A:
[3-462]
--------
H
M
A
I
T
G
T
I
A
A
I
A
T
A
I
V
P
--
Q
Q
G
S
V
G
I
V
R
V
S
G
S
Q
A
I
A
I
A
-
Q
T
-
L
---
F
D
A
P
GKQ----
V
W
E
S
H
---
R
I
-------
L
Y
G
Y
I
R
H
PQ
T
R
Q
I
V
D
E
A
L
L
L
L
M
K
A
P
R
S
Y
T
R
E
D
V
V
E
F
H
C
H
G
G
I
I
A
V
Q
Q
V
L
Q
L
C
L
E
S
G
A
R
L
A
Q
P
G
E
F
T
L
R
A
F
L
N
G
R
L
D
L
T
Q
A
E
S
I
A
D
L
V
G
A
R
S
P
Q
A
A
Q
T
A
L
A
G
L
Q
G
K
L
A
H
P
I
R
Q
L
R
A
N
C
L
D
I
L
A
E
I
E
A
R
I
D
F
E
E
D
-
L
P
P
L
D
D
E
A
I
I
S
D
I
E
N
I
A
A
E
I
S
Q
L
L
A
T
K
D
K
G
E
L
L
R
T
G
L
K
V
A
I
V
G
R
P
N
V
G
K
S
S
L
L
N
A
W
S
Q
S
D
R
A
I
V
T
D
L
P
G
T
T
R
D
V
V
E
S
Q
L
V
V
G
G
I
P
V
Q
V
L
D
-------------------------------
Q
-
A
A
N
T
A
D
L
V
L
L
T
I
D
A
A
T
G
W
T
T
G
D
Q
E
I
Y
E
Q
V
-----
K
H
R
P
L
---
I
L
V
M
N
K
I
D
L
V
E
K
Q
L
I
----
T
SLEY---------
P
E
N
I
T
---
Q
I
V
H
T
A
A
A
------
Q
K
Q
G
I
D
---
S
----
L
E
T
A
I
L
E
I
V
Q
--
T
G
K
VQ
A
--
A
-
D
M
D
L
A
I
N
Q
R
Q
A
A
A
L
T
Q
A
K
M
S
L
E
Q
V
---
Q
A
T
I
T
Q
QL
P
L
D
F
W
T
I
D
L
R
G
A
I
Q
A
L
G
E
I
T
G
E
E
V
T
E
S
V
L
D
R
I
F
S
R
F
C
I
G
K
21
PsiBlast_CBE
86.58
32%
-87
- C4 -
3GEI
1
MNME_CHLTE
B:
[18-476]
---------------
I
A
A
I
A
T
P
--
V
--
G
V
G
A
L
A
I
V
R
I
S
G
A
G
V
L
D
L
A
-
D
R
-
V
---
F
R
K
V
-------
H
G
S
G
K
---
L
A
EAAGY
T
A
H
F
G
R
L
Y
D
--
G
E
E
M
V
D
E
V
I
A
L
V
F
R
A
P
R
S
F
T
A
E
Q
M
V
E
F
T
C
H
G
G
P
V
V
V
G
R
V
L
R
L
M
L
D
N
G
C
R
L
A
E
P
G
E
F
T
R
R
A
F
L
N
G
R
I
D
L
L
Q
A
E
A
I
G
E
M
I
H
A
R
T
E
S
A
Y
R
T
A
V
S
Q
M
K
G
D
L
S
V
R
L
G
G
L
R
E
Q
L
I
R
S
C
A
L
I
E
L
E
L
D
F
S
E
E
D
V
E
F
Q
S
R
D
E
L
T
M
Q
I
E
T
L
R
S
E
V
N
R
L
I
D
S
Y
Q
H
G
R
I
V
S
E
G
V
S
T
V
I
A
G
K
P
N
A
G
K
S
T
L
L
N
T
L
L
------------------
E
E
C
F
I
H
D
K
T
M
F
R
L
T
D
-------------------------------
M
-
K
M
A
E
A
D
L
I
L
Y
L
L
D
L
G
T
--
E
R
L
D
D
E
L
T
E
I
R
E
L
K
--
A
A
H
P
A
AKF
L
T
V
A
N
K
L
D
R
A
A
N
A
D
A
----
L
-------------
I
R
A
I
A
---
D
G
T
G
T
E
V
I
G
I
S
A
L
N
G
D
G
-
I
D
---
T
----
L
K
Q
H
M
G
D
L
V
K
-------------
S
V
L
V
T
S
L
R
H
Y
E
A
L
R
N
A
S
D
A
L
Q
N
A
LEL
I
A
H
E
S
---
E
T
E
L
I
A
F
E
L
R
A
A
L
D
Y
V
G
Q
I
T
G
K
V
V
N
E
E
V
L
N
T
I
F
D
K
F
C
I
G
K
3
PsiBlast_PDB
84.04
32%
-84
- C4 -
3GEE
2
MNME_CHLTE
A:
[18-476]
---------------
I
A
A
I
A
T
P
--
V
--
G
V
G
A
L
A
I
V
R
I
S
G
A
G
V
L
D
L
A
-
D
R
-
V
---
F
R
K
V
-------
H
G
S
G
K
---
L
A
EAAGY
T
A
H
F
G
R
L
Y
D
--
G
E
E
M
V
D
E
V
I
A
L
V
F
R
A
P
R
S
F
T
A
E
Q
M
V
E
F
T
C
H
G
G
P
V
V
V
G
R
V
L
R
L
M
L
D
N
G
C
R
L
A
E
P
G
E
F
T
R
R
A
F
L
N
G
R
I
D
L
L
Q
A
E
A
I
G
E
M
I
H
A
R
T
E
S
A
Y
R
T
A
V
S
Q
M
K
G
D
L
S
V
R
L
G
G
L
R
E
Q
L
I
R
S
C
A
L
I
E
L
E
L
D
F
S
E
E
D
V
E
F
Q
S
R
D
E
L
T
M
Q
I
E
T
L
R
S
E
V
N
R
L
I
D
S
Y
Q
H
G
R
I
V
S
E
G
V
S
T
V
I
A
G
K
P
N
A
G
K
S
T
L
L
N
T
L
L
------------------
E
E
C
F
I
H
D
K
T
M
F
R
L
T
D
-------------------------------
M
-
K
M
A
E
A
D
L
I
L
Y
L
L
D
L
G
T
--
E
R
L
D
D
E
L
T
E
I
R
E
L
K
--
A
A
H
P
A
A
K
F
L
T
V
A
N
K
L
D
R
A
A
N
A
D
A
----
L
-------------
I
R
A
I
A
---
D
G
T
G
T
E
V
I
G
I
S
A
L
N
G
D
G
-
I
D
---
T
----
L
K
Q
H
M
G
D
L
V
K
--
N
L
D
--
K
L
H
E
-
A
S
V
L
V
T
S
L
R
H
Y
E
A
L
R
N
A
S
D
A
L
Q
N
A
L
EL
I
A
H
E
S
---
E
T
E
L
I
A
F
E
L
R
A
A
L
D
Y
V
G
Q
I
T
G
K
V
V
N
E
E
V
L
N
T
I
F
D
K
F
C
I
G
K
4
PsiBlast_PDB
82.86
32%
-87
- C4 -
3GEI
2
MNME_CHLTE
A:
[18-476]
---------------
I
A
A
I
A
T
P
--
V
--
G
V
G
A
L
A
I
V
R
I
S
G
A
G
V
L
D
L
A
-
D
R
-
V
---
F
R
K
V
-------
H
G
S
G
K
---
L
A
EAAGY
T
A
H
F
G
R
L
Y
D
--
G
E
E
M
V
D
E
V
I
A
L
V
F
R
A
P
R
S
F
T
A
E
Q
M
V
E
F
T
C
H
G
G
P
V
V
V
G
R
V
L
R
L
M
L
D
N
G
C
R
L
A
E
P
G
E
F
T
R
R
A
F
L
N
G
R
I
D
L
L
Q
A
E
A
I
G
E
M
I
H
A
R
T
E
S
A
Y
R
T
A
V
S
Q
M
K
G
D
L
S
V
R
L
G
G
L
R
E
Q
L
I
R
S
C
A
L
I
E
L
E
L
D
F
S
E
E
D
V
E
F
Q
S
R
D
E
L
T
M
Q
I
E
T
L
R
S
E
V
N
R
L
I
D
S
Y
Q
H
G
R
I
V
S
E
G
V
S
T
V
I
A
G
K
P
N
A
G
K
S
T
L
L
N
T
L
L
------------------
E
E
C
F
I
H
D
K
T
M
F
R
L
T
D
-------------------------------
M
-
K
M
A
E
A
D
L
I
L
Y
L
L
D
L
G
T
--
E
R
L
D
D
E
L
T
E
I
R
E
L
K
--
A
A
H
P
A
A
K
F
L
T
V
A
N
K
L
D
R
A
A
N
A
D
A
----
L
-------------
I
R
A
I
A
---
D
G
T
G
T
E
V
I
G
I
S
A
L
N
G
D
G
-
I
D
---
T
----
L
K
Q
H
M
G
D
L
V
K
--
N
L
------
E
-
A
S
V
L
V
T
S
L
R
H
Y
E
A
L
R
N
A
S
D
A
L
Q
N
A
L
E
L
I
A
H
E
S
---
E
T
E
L
I
A
F
E
L
R
A
A
L
D
Y
V
G
Q
I
T
G
K
V
V
N
E
E
V
L
N
T
I
F
D
K
F
C
I
G
K
44
HHSearch
59.52
29%
-98
- C3 -
1MKY
3
DER_THEMA
A:
[176-356]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
I
T
D
A
I
K
V
A
I
V
G
R
P
N
V
G
K
S
T
L
F
N
A
I
L
N
K
E
R
A
L
V
S
P
I
P
------
V
D
D
E
V
F
I
D
G
R
K
Y
V
F
V
D
T
A
G
L
-------------
E
K
Y
S
N
Y
R
V
-----
V
D
-
S
I
E
K
A
D
V
V
V
I
V
L
D
A
T
Q
G
I
T
R
Q
D
Q
R
M
A
G
L
M
E
-
R
--
R
G
R
A
S
---
V
V
V
F
N
K
W
D
L
V
V
H
R
E
K
----
R
Y
D
E
F
T
K
L
F
R
E
K
L
Y
F
I
D
Y
S
---
P
L
I
F
T
S
A
D
------
K
G
W
N
I
D
---
R
----
M
I
D
A
M
N
L
A
Y
A
--
S
Y
T
--
T
--
K
-
V
P
S
S
A
I
N
S
A
L
Q
K
V
L
A
F
T
N
L
P
R
G
L
K
---
I
F
F
G
V
---
Q
V
D
I
K
P
P
T
F
L
F
F
V
N
S
I
E
K
V
K
N
P
Q
K
I
F
L
R
K
L
I
R
D
Y
V
F
P
F
E
G
29
PsiBlast_CBE
54.58
31%
-71
- C3 -
4KYU
5
DER_BACSU
B:
[6-163]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
A
I
V
G
R
P
N
V
G
K
S
T
I
F
N
R
I
A
-----------------
I
Y
S
S
A
E
W
-
N
Y
D
F
N
L
I
D
T
G
G
I
--
D
-
I
G
---
D
-
E
P
F
L
A
Q
I
R
Q
Q
-----
A
E
I
A
M
D
E
A
D
V
I
I
F
M
V
N
G
R
E
G
V
T
A
A
D
E
E
V
A
K
I
L
Y
-
R
--
T
K
K
P
V
---
V
L
A
V
N
K
L
D
-
N
T
E
M
R
A
----
N
-------------
I
Y
D
F
Y
SLG
F
G
E
P
Y
P
I
S
G
T
H
G
L
G
----
L
G
---
D
----
L
L
D
A
V
A
E
H
F
----------------------------------------------------------------------------------------
14
PsiBlast_PDB
53.98
26%
-71
- C3 -
4DCT
1
DER_BACSU
A:
[200-353]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
I
G
R
P
N
V
G
K
S
S
L
V
N
A
M
L
G
E
E
R
V
I
V
S
N
------
D
A
V
D
T
S
F
T
Y
N
Q
Q
E
F
V
I
V
D
T
A
G
M
R
-
K
-
K
G
KVY
E
-
T
T
E
K
Y
S
V
L
R
A
-----
L
K
-
A
I
D
R
S
E
V
V
A
V
V
L
D
G
E
E
G
I
I
E
Q
D
K
R
I
A
G
Y
A
H
-
E
--
A
G
K
A
V
---
V
I
V
V
N
K
W
D
A
V
D
K
D
E
-------------------------------------------
S
T
M
K
---
E
----
F
E
E
N
I
R
D
H
F
Q
--
F
L
D
--
Y
--
A
-
P
I
L
F
M
S
A
L
T
K
K
R
I
H
T
L
M
P
A
I
I
K
A
S
---
E
N
H
S
L
---
R
V
Q
T
N
V
L
N
D
V
I
M
D
A
V
A
M
N
P
T
P
T
H
N
G
S
R
L
K
I
Y
Y
A
T
Q
V
S
V
K
P
60
HHSearch
53.63
24%
-61
- C3 -
2WJG
1
FEOB_METJA
A:
[5-170]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
K
S
Y
E
I
A
L
I
G
N
P
N
V
G
K
S
T
I
F
N
A
L
T
G
E
N
V
-
Y
I
G
N
W
P
G
V
T
V
E
K
K
E
G
E
F
E
Y
N
G
E
K
F
K
V
V
D
L
P
G
V
Y
-
S
-
L
T
A--
N
-
S
I
D
E
I
-
I
A
R
D
-----
Y
I
-
I
N
E
K
P
D
L
V
V
N
I
V
D
A
T
A
L
E
R
--
N
L
Y
L
T
L
Q
L
M
-
E
--
M
G
A
N
L
---
L
L
A
L
N
K
M
D
L
A
K
S
L
G
I
EID
V
D
K
L
E
----------
K
I
L
G
V
---
K
V
V
P
L
S
A
A
------
K
K
M
G
I
E
---
E
----
L
K
K
A
I
S
I
A
V
K
--
D
K
-----------------------------------------------------------------------------------
11
PsiBlast_PDB
53.61
37%
-95
- C3 -
1MKY
3
DER_THEMA
A:
[183-305]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
A
I
V
G
R
P
N
V
G
K
S
T
L
F
N
A
I
L
N
K
E
R
A
L
V
S
P
I
P
------
V
D
D
E
V
F
I
D
G
R
K
Y
V
F
V
D
T
A
G
L
------------------
E
K
Y
SN
Y
R
V
V
D
-
S
I
E
K
A
D
V
V
V
I
V
L
D
A
T
Q
G
I
T
R
Q
D
Q
R
M
A
G
L
M
E
-
R
--
R
G
R
A
S
---
V
V
V
F
N
K
W
D
L
V
V
H
R
E
K
----
R
-------------
Y
D
E
F
T
---
K
L
F
R
E
K
L
Y
F
I
D
Y
S
P
L
I
F
T
S
A
---
D
----
K
G
W
N
I
D
R
M
I
D
--
A
M
N
--
L
--
A
-
Y
A
S
Y
T
T
K
V
P
S
S
A
I
N
S
A
L
Q
K
V
L
A
F
T
---
N
L
P
R
G
---
L
K
I
F
F
G
V
Q
V
D
I
K
P
P
T
F
L
F
F
V
N
S
I
E
K
V
K
N
P
Q
K
I
F
L
R
K
L
I
R
D
57
HHSearch
53.08
25%
-62
- C3 -
3A1S
3
?
A:
[4-167]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
M
V
K
V
A
L
A
G
C
P
N
V
G
K
T
S
L
F
N
A
L
T
G
T
K
Q
-
Y
V
A
N
W
P
G
V
T
V
E
K
K
E
G
V
F
T
Y
K
G
Y
T
I
N
L
I
D
L
P
G
T
Y
-
S
-
L
G
Y
--
S
-
S
I
D
E
K
-
I
A
R
D
-----
Y
L
-
L
K
G
D
A
D
L
V
I
L
V
A
D
S
V
N
P
E
Q
--
S
L
Y
L
L
L
E
I
L
-
E
--
M
E
K
K
V
---
I
L
A
M
T
A
I
D
E
A
K
K
T
G
M
----
K
I
D
R
Y
E
L
Q
------
K
H
L
G
I
---
P
V
V
F
T
S
S
V
------
T
G
E
G
L
E
---
E
----
L
K
E
K
I
V
E
Y
A
Q
--
K
N
T
--
I
--
L
-
H
R
M
I
L
D
Y
G
E
K
V
E
S
E
I
K
K
V
E
N
F
L
R
D
---
K
K
L
R
I
---
N
P
R
Y
F
A
L
K
Y
L
S
G
D
P
E
F
Y
S
E
G
V
K
L
G
L
P
E
L
S
E
E
E
R
I
G
Y
R
L
L
I
22
PsiBlast_CBE
52.74
44%
-100
- C4 -
1XZP
2
?
B:
[25-150]
----
N
S
S
S
V
D
K
L
M
D
T
I
V
A
V
A
T
P
--
P
--
G
K
G
A
I
A
I
L
R
L
S
G
P
D
S
W
K
I
V
Q
K
H
-
L
---
R
T
R
S
-------
K
I
V
P
R
---
K
A
-------
I
H
G
W
I
H
E
--
N
G
E
D
V
D
E
V
V
V
V
F
Y
K
S
P
K
S
Y
T
G
E
D
M
V
E
V
M
C
H
G
G
P
L
V
V
K
K
L
L
D
L
F
L
K
S
G
A
R
M
A
E
P
G
E
F
T
K
R
A
F
L
N
G
K
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
51
HHSearch
52.61
30%
-86
- C3 -
1MKY
3
DER_THEMA
A:
[2-166]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
T
V
L
I
V
G
R
P
N
V
G
K
S
T
L
F
N
K
L
V
K
--------------
D
P
V
Q
D
T
V
E
W
Y
G
K
T
F
K
L
V
D
T
C
G
V
F
-
D
-
N
P
---
Q
D
I
I
S
Q
K
M
K
E
V
T
-----
L
N
-
M
I
R
E
A
D
L
V
L
F
V
V
D
G
K
R
G
I
T
K
E
D
E
S
L
A
D
F
L
R
-
K
--
S
T
V
D
T
---
I
L
V
A
N
K
A
E
N
L
R
E
F
E
R
----
E
V
K
P
E
L
Y
-------
S
L
G
F
G
---
E
P
I
P
V
S
A
E
------
H
N
I
N
L
D
---
T
----
M
L
E
T
I
I
K
K
L
E
--
E
K
G
--
L
--
D
-
L
E
S
K
P
E
I
T
D
A
I
K
V
A
I
V
G
R
P
N
V
G
K
S
---
T
L
F
N
A
---
I
L
N
K
E
R
A
L
V
S
P
I
P
V
D
D
E
V
F
I
D
G
R
K
Y
V
F
V
D
T
A
G
L
E
K
Y
S
N
Y
R
23
PsiBlast_CBE
52.61
44%
-104
- C4 -
1XZQ
2
?
B:
[33-149]
------------
M
D
T
I
V
A
V
A
T
P
--
P
--
G
K
G
A
I
A
I
L
R
L
S
G
P
D
S
W
K
I
V
Q
K
H
-
L
---
R
T
R
S
-------
K
I
V
P
R
---
K
A
-------
I
H
G
W
I
H
E
--
N
G
E
D
V
D
E
V
V
V
V
F
Y
K
S
P
K
S
Y
T
G
E
D
M
V
E
V
M
C
H
G
G
P
L
V
V
K
K
L
L
D
L
F
L
K
S
G
A
R
M
A
E
P
G
E
F
T
K
R
A
F
L
N
G
K
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
52.30
26%
-57
- C3 -
4DCU
1
DER_BACSU
A:
[200-353]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
I
G
R
P
N
V
G
K
S
S
L
V
N
A
M
L
G
E
E
R
V
I
V
S
N
------
D
A
V
D
T
S
F
T
Y
N
Q
Q
E
F
V
I
V
D
T
A
G
M
R
-
K
-
K
G
KVY
E
-
T
T
E
K
Y
S
V
L
R
A
-----
L
K
-
A
I
D
R
S
E
V
V
A
V
V
L
D
G
E
E
G
I
I
E
Q
D
K
R
I
A
G
Y
A
H
-
E
--
A
G
K
A
V
---
V
I
V
V
N
K
W
D
A
V
D
K
D
E
-------------------------------------------
S
T
M
K
---
E
----
F
E
E
N
I
R
D
H
F
Q
--
F
L
D
--
Y
--
A
-
P
I
L
F
M
S
A
L
T
K
K
R
I
H
T
L
M
P
A
I
I
K
A
S
---
E
N
H
S
L
---
R
V
Q
T
N
V
L
N
D
V
I
M
D
A
V
A
M
N
P
T
P
T
H
N
G
S
R
L
K
I
Y
Y
A
T
Q
V
S
V
K
P