@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 : Rv2601: (2016-05-12 )
MTSTRQAGEATEASVRWRAVLLAAVAACAACGLVYELALLTLAASLNGGGIVATSLIVAGYIAALGAGALLIKPLLAHAAIAFIAVEAVLGIIGGLSAAALYAAFAFLDELDGSTLVLAVGTALIGGLVGAEVPLLMTLLQRGRVAGAADAGRTLANLNAADYLGALVGGLAWPFLLLPQLGMIRGAAVTGIVNLAAAGVVSIFLLRHVVSGRQLVTALCALAAALGLIATLLVHSHDIETTGRQQLYADPIIAYRHSAYQEIVVTRRGDDLRLYLDGGLQFCTRDEYRYTESLVYPAVSDGARSVLVLGGGDGLAARELLRQPGIEQIVQVELDPAVIELARTTLRDVNAGSLDNPRVHVVIDDAMSWLRGAAVPPAGFDAVIVDLRDPDTPVLGRLYSTEFYALAARALAPGGLMVVQAGSPYSTPTAFWRIISTIRSAGYAVTPYHVHVPTFGDWGFALARLTDIAPTPAVPSTAPALRFLDQQVLEAATVFSGDIRPRTLDPSTLDNPHIVEDMRHGWD
Atome Classification :
(28 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.....---..470-----.-----.....---...480-.........490.......500---.......510.......520.
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MTSTRQAGEAT
E
A
S
V
R
W
R
A
V
L
L
A
A
V
A
A
C
A
A
C
G
L
V
Y
E
L
A
L
L
T
L
A
A
SLNG
G
G
I
V
A
T
S
L
I
V
A
G
Y
I
A
A
LGA
G
A
L
L
I
K
P
L
L
A
H
A
A
I
A
F
I
A
V
E
A
V
L
G
I
IG
G
L
S
A
A
A
L
Y
A
A
F
A
F
L
D
ELDG
S
T
L
V
L
A
V
G
T
A
L
I
G
G
L
V
GA
E
V
P
L
L
M
T
L
L
QRGRVAGAADAG
R
T
LANL
N
A
A
D
Y
L
G
A
L
V
G
G
L
A
W
P
F
L
L
L
PQLGMI
R
G
A
A
V
T
G
I
V
N
L
A
A
A
G
V
V
S
I
F
L
L
R
H
V
VS
G
R
Q
L
V
T
A
L
C
A
L
A
A
A
L
G
L
I
A
T
L
L
VHSHDIETTGRQQLYAD
P
I
I
A
Y
R
H
S
A
Y
Q
E
I
-
V
V
---TR-RG----
D
D
L
R
L
Y
LDGGL
Q
F
C
TRDEYR
Y
T
E
S
LVY--PAV--S--DGA
R
--
S
V
L
V
L
GGGD
G
L
A
A
R
E
L
L
RQP
G
I
E
Q
I
V
Q
VEL
D
P
A
V
I
E
L
A
R
T
T
L
RDVN-----AGSL------D------N
P
R
V
H
V
V
I
D
D
A
M
S
W
L
RGAAVPPAGF
D
A
V
I
V
DLRDP---DT
P
--
V
L
G
R
L
YS
T
E
F
Y
A
L
A
A
R
ALAPG
G
L
M
V
V
QAGSPYS
T
P
T
A
F
W
R
I
I
S
-
T
I
R
SA-G
Y
-
A
V
T
P
Y
------
H
-
V
HVPTF--G---
D
W
G
F
A
L
A
R
L
TD---IAP-------T-----PAVPS---
T
A
P
A
---
L
R
F
L
D
Q
Q
V
L
E
A
A
T
VFSGDIRPR---TLDPSTLDN
P
H
I
V
E
D
M
R
HGWD
76
HHSearch
91.06
33%
-97
- C1 -
1UIR
-
SPEE_THET8
A:
[21-305]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
E
R
V
I
A
S
G
K
T
P
F
Q
D
Y
-
F
L
---
F
E
-
S
K
G---
F
G
K
V
L
I
L
D
K
D
V
Q
S
T
E
R
D
E
Y
I
Y
H
E
T
L
V
H
--
P
A
M
--
L
T
H
P
E
P
K
--
R
V
L
I
V
G
G
G
E
G
A
T
L
R
E
V
L
K
H
P
T
V
E
K
A
V
M
V
D
I
D
G
E
L
V
E
V
A
K
R
H
M
P
E
W
H
-----
Q
G
A
F
------
D
------
D
P
R
A
V
L
V
I
D
D
A
R
A
Y
L
E
R
T
---
E
E
R
Y
D
V
V
I
I
D
L
T
D
P
---
V
G
E
DN
P
A
R
L
L
Y
T
V
E
F
Y
R
L
V
K
A
H
L
N
P
G
G
V
M
G
M
Q
T
G
M
I
L
L
--
R
V
H
P
V
V
H
R
-
T
V
R
E
--
A
F
R
Y
V
R
S
Y
------
K
-
N
H
I
P
G
F
F-
L
---
N
F
G
F
L
L
A
S
D
A
F
---
D
P
A
AF-----
S
EG
V
I
E
A
R
I
R
E
---
R
N
L
A
---
L
R
H
L
T
A
P
Y
L
E
A
M
F
V
L
P
K
D
L
L
E
A
L
E
K
E
T
M
V
S
T
D
Q
N
P
F
Y
V
T
P
E
G
----
83
HHSearch
84.40
27%
-105
- C1 -
2PT6
2
?
A:
[61-316]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
K
I
L
Y
E
T
K
S
K
Y
Q
N
V
-
L
V
---
F
E
-
S
T
T---
Y
G
K
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
--
V
P
M
--
T
V
S
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
-
G
Y
------
E
------
D
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
---
T
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
---
P
A
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
L
W
I
H
V
G
T
I
K
N
M
I
G
-
Y
A
K
K
--
L
F
K
K
V
E
Y
A
------
N
-
I
S
I
P
T
Y
PC
G
---
C
I
G
I
L
C
C
S
K
T
D
---
T
G
L
TKP----
N
-----
K
K
L
E
S
K--
E
F
A
D
---
L
K
Y
Y
N
Y
E
N
H
S
A
A
F
K
L
P
A
F
L
L
K
-------------------------
81
HHSearch
83.11
27%
-102
- C1 -
2I7C
2
?
A:
[22-278]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
K
K
I
L
Y
E
T
K
S
K
Y
Q
N
V
-
L
V
---
F
E
-
S
T
T---
Y
G
K
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
--
V
P
M
--
T
V
S
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
-
G
Y
------
E
------
D
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
---
T
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
---
P
A
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
L
W
I
H
V
G
T
I
K
N
M
I
G
-
Y
A
K
K
--
L
F
K
K
V
E
Y
A
------
N
-
I
S
I
P
T
Y
PC
G
---
C
I
G
I
L
C
C
S
K
T
D
---
T
G
L
TKP----
N
-----
K
K
L
E
S
K--
E
F
A
D
---
L
K
Y
Y
N
Y
E
N
H
S
A
A
F
K
L
P
A
F
L
L
K
-------------------------
84
HHSearch
79.63
31%
-103
- C1 -
1MJF
-
SPEE_PYRFU
A:
[19-275]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
K
K
I
Y
E
K
L
S
K
Y
Q
K
I
-
E
V
---
Y
E
-
T
E
G---
F
G
R
L
L
A
L
D
G
T
V
Q
L
V
T
L
G
E
R
S
Y
H
E
P
L
V
H
--
P
A
M
--
L
A
H
P
K
P
K
--
R
V
L
V
I
G
G
G
D
G
G
T
V
R
E
V
L
Q
H
D
-
V
D
E
V
I
M
V
E
I
D
E
D
V
I
M
V
S
K
D
L
I
K
I
D
N
------
G
L
L
E
A
M
L
N
G
K
------
H
E
K
A
K
L
T
I
G
D
G
F
E
F
I
K
N
----
N
R
G
F
D
V
I
I
A
D
S
T
D
P
---
V
--------
L
F
S
E
E
F
Y
R
Y
V
Y
D
A
L
N
N
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
L
I
S
A
Y
K
-
E
M
K
K
--
V
F
D
R
V
Y
Y
Y
------
S
-
F
P
V
I
G
Y
--
A
S--
P
W
A
F
L
V
G
V
K
G
D
---
I
D
F
TKID---
R
-----
E
R
A
-----
K
K
L
Q
---
L
E
Y
Y
D
P
L
M
H
E
T
L
F
Q
M
P
K
Y
I
R
E
-------------------------
53
PsiBlast_CBE
79.46
34%
-102
- C1 -
2ZSU
1
SPEE_PYRHO
A:
[27-235]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
Q
S
E
Y
Q
K
I
E
V
Y
---
E
T
-
E
G
----
F
G
K
L
L
A
I
D
G
T
V
Q
L
V
T
E
G
E
K
S
Y
H
E
P
L
V
H
--
P
A
M
L
A
H
--
P
N
P
R
--
R
V
L
I
I
G
G
G
D
G
G
A
I
R
E
V
L
K
H
E
E
V
E
E
V
I
M
V
E
I
D
K
K
V
I
E
I
S
A
K
Y
I
-
G
I
D
-----
G
G
I
L
------
E
K
M
L
S
DK
H
E
K
G
K
L
I
I
G
D
G
V
K
F
I
E
E
N
----
S
G
F
D
V
I
I
V
D
S
T
D
P
---
V
G
P
--
A
-
E
M
L
F
S
E
E
F
Y
K
N
A
Y
R
A
L
N
D
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
F
L
T
A
Y
R
-
K
M
R
K
V
-
F
D
-
K
V
--
Y
------
Y
-
Y
S
F
P
V
I
--
G
YAS
P
W
A
F
---------------------------------------------------------------------------------------
85
HHSearch
79.30
26%
-104
- C1 -
4YUY
2
?
A:
[37-299]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
K
V
L
Y
D
A
P
T
K
F
Q
H
L
-
T
I
---
F
E
-
S
D
PKGP
W
G
T
V
M
A
L
D
G
C
I
Q
V
T
D
Y
D
E
F
V
Y
H
E
V
L
G
H
--
T
S
L
--
C
S
H
P
K
P
E
--
R
V
L
I
I
G
G
G
D
G
G
V
L
R
E
V
L
R
H
G
T
V
E
H
C
D
L
V
D
I
D
G
E
V
M
E
Q
S
K
Q
H
F
P
Q
I
S
-----
R
-
S
L
------
A
------
D
P
R
A
T
V
R
V
G
D
G
L
A
F
V
R
Q
T
P
--
D
N
T
Y
D
V
V
I
I
D
T
T
D
P
---
A
G
---
P
A
S
K
L
F
G
E
A
F
Y
K
D
V
L
R
I
L
K
P
D
G
I
C
C
N
Q
G
E
S
I
W
L
D
L
E
L
I
E
K
M
S
R
-
F
I
R
E
T
-
G
F
A
S
V
Q
Y
A
------
L
-
M
H
V
P
T
Y
PC
G
---
S
I
G
T
L
V
C
S
K
K
A
---
G
V
D
VT-----
K
PL---
R
P
V
E
D
MP-
F
A
K
D
---
L
K
Y
Y
D
S
E
M
H
K
A
S
F
A
L
P
R
F
A
R
H
-------------------------
55
PsiBlast_CBE
79.09
34%
-103
- C1 -
2E5W
3
SPEE_PYRHO
C:
[27-235]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
Q
S
E
Y
Q
K
I
E
V
Y
---
E
T
-
E
G
----
F
G
K
L
L
A
I
D
G
T
V
Q
L
V
T
E
G
E
K
S
Y
H
E
P
L
V
H
--
P
A
M
LA
H
--
P
N
P
R
--
R
V
L
I
I
G
G
G
D
G
G
A
I
R
E
V
L
K
H
E
E
V
E
E
V
I
M
V
E
I
D
K
K
V
I
E
I
S
A
K
Y
I
-
G
I
D
-----
G
G
I
L
------
E
KMLSDK
H
E
K
G
K
L
I
I
G
D
G
V
K
F
I
E
E
N
----
S
G
F
D
V
I
I
V
D
S
T
D
P
---
V
G
P
--
A
-
E
M
L
F
S
E
E
F
Y
K
N
A
Y
R
A
L
N
D
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
F
L
T
A
Y
R
-
K
M
R
K
V
-
F
D
-
K
V
--
Y
------
Y
-
Y
S
F
P
V
I
--
G
YAS
P
W
A
F
---------------------------------------------------------------------------------------
78
HHSearch
78.90
25%
-105
- C1 -
1INL
-
SPEE_THEMA
A:
[34-291]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
M
N
R
V
I
Y
S
G
Q
S
D
I
Q
R
I
-
D
I
---
F
E
-
N
P
D---
L
G
V
V
F
A
L
D
G
I
T
M
T
T
E
K
D
E
F
M
Y
H
E
M
L
A
H
--
V
P
M
--
F
L
H
P
N
P
K
--
K
V
L
I
I
G
G
G
D
G
G
T
L
R
E
V
L
K
H
D
S
V
E
K
A
I
L
C
E
V
D
G
L
V
I
E
A
A
R
K
Y
L
K
Q
T
S
------
C
G
F
------
D
------
D
P
R
A
E
I
V
I
A
N
G
A
E
Y
V
R
K
F
---
K
N
E
F
D
V
I
I
I
D
S
---------------
L
F
T
E
E
F
Y
Q
A
C
Y
D
A
L
K
E
D
G
V
F
S
A
E
T
E
D
P
F
Y
D
I
G
W
F
K
L
A
Y
R
-
R
I
S
K
--
V
F
P
I
T
R
V
Y
------
L
-
G
F
M
T
T
Y
PS
G
---
M
W
S
Y
T
F
A
S
K
G
I
---
D
P
I
K------
D
FD
P
--
E
K
V
R
K
---
F
N
K
E
---
L
K
Y
Y
N
E
E
V
H
V
A
S
F
A
L
P
N
F
V
K
K
-------------------------
52
PsiBlast_CBE
78.53
34%
-105
- C1 -
2ZSU
1
SPEE_PYRHO
C:
[27-235]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
Q
S
E
Y
Q
K
I
E
V
Y
---
E
T
-
E
G
----
F
G
K
L
L
A
I
D
G
T
V
Q
L
V
T
E
G
E
K
S
Y
H
E
P
L
V
H
--
P
A
M
L
A
H
--
P
N
P
R
--
R
V
L
I
I
G
G
G
D
G
G
A
I
R
E
V
L
K
H
E
E
V
E
E
V
I
M
V
E
I
D
K
K
V
I
E
I
S
A
K
Y
I
-
G
I
D
-----
G
G
I
L
------
E
K
M
L
S
DK
H
E
K
G
K
L
I
I
G
D
G
V
K
F
I
E
E
N
----
S
G
F
D
V
I
I
V
D
S
T
D
P
---
V
-------
M
L
F
S
E
E
F
Y
K
N
A
Y
R
A
L
N
D
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
F
L
T
A
Y
R
-
K
M
R
K
V
-
F
D
-
K
V
--
Y
------
Y
-
Y
S
F
P
V
I
--
G
YAS
P
W
A
F
---------------------------------------------------------------------------------------
57
PsiBlast_CBE
78.32
34%
-101
- C1 -
2E5W
3
SPEE_PYRHO
A:
[27-235]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
Q
S
E
Y
Q
K
I
E
V
Y
---
E
T
-
E
G
----
F
G
K
L
L
A
I
D
G
T
V
Q
L
V
T
E
G
E
K
S
Y
H
E
P
L
V
H
--
P
A
M
L
A
H
--
P
N
P
R
--
R
V
L
I
I
G
G
G
D
G
G
A
I
R
E
V
L
K
H
E
E
V
E
E
V
I
M
V
E
I
D
K
K
V
I
E
I
S
A
K
Y
I
-
G
I
D
-----
G
G
I
L
------
E
K
M
L
S
DK
H
E
K
G
K
L
I
I
G
D
G
V
K
F
I
E
E
N
----
S
G
F
D
V
I
I
V
D
S
T
D
P
---
V
G
P
--
A
-
E
M
L
F
S
E
E
F
Y
K
N
A
Y
R
A
L
N
D
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
F
L
T
A
Y
R
-
K
M
R
K
V
-
F
D
-
K
V
--
Y
------
Y
-
Y
S
F
P
V
I
--
G
YAS
P
W
A
F
---------------------------------------------------------------------------------------
51
PsiBlast_CBE
77.91
34%
-102
- C1 -
2ZSU
1
SPEE_PYRHO
E:
[27-235]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
Q
S
E
Y
Q
K
I
E
V
Y
---
E
T
-
E
G
----
F
G
K
L
L
A
I
D
G
T
V
Q
L
V
T
E
G
E
K
S
Y
H
E
P
L
V
H
--
P
A
M
L
A
H
--
P
N
P
R
--
R
V
L
I
I
G
G
G
D
G
G
A
I
R
E
V
L
K
H
E
E
V
E
E
V
I
M
V
E
I
D
K
K
V
I
E
I
S
A
K
Y
I
-
G
I
D
-----
G
G
I
L
------
E
K
M
L
S
DK
H
E
K
G
K
L
I
I
G
D
G
V
K
F
I
E
E
N
----
S
G
F
D
V
I
I
V
D
S
T
D
P
---
V
G
P
--
A
-
E
M
L
F
S
E
E
F
Y
K
N
A
Y
R
A
L
N
D
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
F
L
T
A
Y
R
-
K
M
R
K
V
-
F
D
-
K
V
--
Y
------
Y
-
Y
S
F
P
V
I
--
G
YAS
P
W
A
F
---------------------------------------------------------------------------------------
66
Fugue
77.44
28%
-94
- C1 -
1MJF
-
SPEE_PYRFU
A:
[3-278]
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
F
I
E
W
Y
P
R
G
-
Y
G
V
A
F
K
I
K
K
K
I
Y
E
K
L
S
K
Y
Q
K
I
-
E
V
---
Y
E
T
E
G
----
F
G
R
L
L
A
L
D
G
T
V
Q
L
V
T
L
G
E
R
S
Y
H
E
P
L
V
H
--
P
A
M
--
L
A
H
P
K
P
K
--
R
V
L
V
I
G
G
G
D
G
G
T
V
R
E
V
L
Q
H
D
-
V
D
E
V
I
M
V
E
I
D
E
D
V
I
M
V
S
K
D
L
I
K
I
D
N
G
L
L
E
A
M
L
N
G
------
K
------
H
E
K
A
K
L
T
I
G
D
G
F
E
F
I
K
N
---
N
R
-
G
F
D
V
I
I
A
D
S
T
D
P
-----------
V
L
F
S
E
E
F
Y
R
Y
V
Y
D
A
L
N
N
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
L
I
S
A
Y
K
-
E
M
K
K
V
-
F
D
-
R
V
Y
Y
Y
------
S
-
F
P
V
I
G
Y
A-
S
---
P
W
A
F
L
V
G
V
K
G
D
---
I
D
F
-------
T
------
K
I
D
R
---
E
R
A
K
K
LQ
L
E
Y
Y
D
P
L
M
H
E
T
L
F
Q
M
P
K
Y
I
R
E
T
---
L
Q
-------------------
39
PsiBlast_CBE
77.24
31%
-90
- C1 -
2PT6
3
?
C:
[69-307]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
FES
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
VP
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
KKVEYA
N
-
I
S
I
P
T
Y
PC
G
---
C
I
G
I
L
C
C
S
K
T
D
TGL
T
K
P
-------
N
-----
K
K
L
E
S
---
K
E
F
A
D--
L
K
Y
Y
N
Y
E
N
H
S
A
A
----------------------------------
37
PsiBlast_CBE
77.13
31%
-92
* C1 *
2PT9
5
?
B:
[69-307]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
FES
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
VP
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
KKVEYA
N
-
I
S
I
P
T
Y
PC
G
---
C
I
G
I
L
C
C
S
K
T
D
TGL
T
K
P
-------
N
-----
K
K
L
E
S
---
K
E
F
A
D--
L
K
Y
Y
N
Y
E
N
H
S
A
A
----------------------------------
41
PsiBlast_CBE
77.11
31%
-96
- C1 -
2PT6
2
?
A:
[69-307]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
F
E
S
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
V
P
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
K
K
V
E
Y
A
N
-
I
S
I
P
T
Y
PC
G
---
C
I
G
I
L
C
C
S
K
T
D
TGL
T
K
P
-------
N
-----
K
K
L
E
S
---
K
E
F
A
D--
L
K
Y
Y
N
Y
E
N
H
S
A
A
----------------------------------
36
PsiBlast_CBE
76.53
31%
-91
- C1 -
2PT9
4
?
C:
[69-307]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
FES
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
VP
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
KKVEYA
N
-
I
S
I
P
T
Y
PC
G
---
C
I
G
I
L
C
C
S
K
T
D
TGL
T
K
P
-------
N
-----
K
K
L
E
S
---
K
E
F
A
D--
L
K
Y
Y
N
Y
E
N
H
S
A
A
----------------------------------
56
PsiBlast_CBE
76.43
34%
-110
- C1 -
2E5W
2
SPEE_PYRHO
B:
[27-235]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
Q
S
E
Y
Q
K
I
E
V
Y
---
E
T
-
E
G
----
F
G
K
L
L
A
I
D
G
T
V
Q
L
V
T
E
G
E
K
S
Y
H
E
P
L
V
H
--
P
A
M
L
A
H
--
P
N
P
R
--
R
V
L
I
I
G
G
G
D
G
G
A
I
R
E
V
L
K
H
E
E
V
E
E
V
I
M
V
E
I
D
K
K
V
I
E
I
S
A
K
Y
I
-
G
I
D
-----
G
G
I
L
------
E
K
M
L
S
DK
H
E
K
G
K
L
I
I
G
D
G
V
K
F
I
E
E
N
----
S
G
F
D
V
I
I
V
D
S
--------------
M
L
F
S
E
E
F
Y
K
N
A
Y
R
A
L
N
D
P
G
I
Y
V
T
Q
A
G
S
V
Y
L
F
T
D
E
F
L
T
A
Y
R
-
K
M
R
K
V
-
F
D
-
K
V
--
Y
------
Y
-
Y
S
F
P
V
I
--
G
YAS
P
W
A
F
---------------------------------------------------------------------------------------
80
HHSearch
75.75
29%
-98
- C1 -
3O4F
4
SPEE_ECOLI
A:
[26-287]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
V
D
N
V
L
Y
H
E
K
---
Q
D
L
-
I
I
---
F
E
-
N
A
A---
F
G
R
V
M
A
L
D
G
V
V
Q
T
T
E
R
D
E
F
I
Y
H
E
M
M
T
H
--
V
P
L
--
L
A
H
G
H
A
K
--
H
V
L
I
I
G
G
G
D
G
A
M
L
R
E
V
T
R
H
K
N
V
E
S
I
T
M
V
E
I
D
A
G
V
V
S
F
C
R
Q
Y
L
P
N
H
N
-----
A
G
S
Y
------
D
------
D
P
R
F
K
L
V
I
D
D
G
V
N
F
V
N
Q
T
---
S
Q
T
F
D
V
I
I
S
D
C
T
D
P
---
I
G
P
---
G
E
S
L
F
T
S
A
F
Y
E
G
C
K
R
C
L
N
P
G
G
I
F
V
A
Q
N
G
V
C
F
L
Q
Q
E
E
A
I
D
S
H
R
-
K
L
S
H
--
Y
F
S
D
V
G
F
Y
------
Q
-
A
A
I
P
T
Y
YG
G
---
I
M
T
F
A
W
A
T
D
N
D
---
A
L
R
HLS
T
E
I
I
Q
-----
A
R
F
L
A
---
S
G
L
K
---
C
R
Y
Y
N
P
A
I
H
T
A
A
F
A
L
P
Q
Y
L
Q
D
-------------------------
38
PsiBlast_CBE
75.68
31%
-93
- C1 -
2PT9
3
?
A:
[69-307]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
F
E
S
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
V
P
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
K
K
V
E
Y
A
N
-
I
S
I
P
T
Y
PC
G
---
C
I
G
I
L
C
C
S
K
T
D
TGL
T
K
P
-------
N
-----
K
K
L
E
S
---
K
E
F
A
D--
L
K
Y
Y
N
Y
E
N
H
S
A
A
----------------------------------
86
HHSearch
75.65
26%
-111
- C1 -
2B2C
-
?
A:
[52-311]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
V
K
K
V
L
F
H
E
K
S
K
Y
Q
D
V
-
L
V
---
F
E
-
S
T
T---
Y
G
N
V
L
V
L
D
G
I
V
Q
A
T
E
R
D
E
F
S
Y
Q
E
M
L
A
H
--
L
P
M
--
F
A
H
P
D
P
K
--
R
V
L
I
I
G
G
G
D
G
G
I
L
R
E
V
L
K
H
E
S
V
E
K
V
T
M
C
E
I
D
E
M
V
I
D
V
A
K
K
F
L
P
G
M
S
------
C
G
F
------
S
------
H
P
K
L
D
L
F
C
G
D
G
F
E
F
L
K
N
H
---
K
N
E
F
D
V
I
I
T
D
S
S
-------------------
Y
Y
E
L
L
R
D
A
L
K
E
D
G
I
L
S
S
Q
G
E
S
V
W
L
H
L
P
L
I
A
H
L
V
A
-
F
N
R
K
--
I
F
P
A
V
T
Y
A
------
Q
-
S
I
V
S
T
Y
PS
G
---
S
M
G
Y
L
I
C
A
K
N
A
---
N
R
D
VTTP---
A
-----
R
T
L
T
A
E
Q
I
K
A
L
N
---
L
R
F
Y
N
S
E
V
H
K
A
A
F
V
L
P
Q
F
V
K
N
-------------------------
1
PsiBlast_PDB
74.23
38%
-123
- C1 -
3ANX
1
SPEE_THET8
A:
[47-239]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
I
L
D
K
D
V
Q
S
T
E
R
D
E
Y
I
Y
H
E
T
L
V
H
--
P
A
M
L
T
H
--
P
E
P
K
--
R
V
L
I
V
G
G
G
E
G
A
T
L
R
E
V
L
K
H
P
T
V
E
K
A
V
M
V
D
I
D
G
E
L
V
E
V
A
K
R
H
M
P
E
W
H
-----
Q
G
A
F
------
D
------
D
P
R
A
V
L
V
I
D
D
A
R
A
Y
L
E
R
T
E
---
E
R
Y
D
V
V
I
I
D
L
T
D
P
VGE
D
N
P
--
A
-
R
L
L
Y
T
V
E
F
Y
R
L
V
K
A
H
L
N
P
G
G
V
M
G
M
Q
A
G
M
I
L
L
T
H
H
R
V
H
P
V
V
H
R
T
V
R
E
A
-
F
R
-
Y
V
R
S
Y
------
K
-
N
H
I
P
G
F
--
F
L
--
N
F
G
F
L
L
A
------------------------------------------------------------------------------------
21
PsiBlast_CBE
73.21
38%
-113
- C1 -
3ANX
1
SPEE_THET8
B:
[47-239]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
I
L
D
K
D
V
Q
S
T
E
R
D
E
Y
I
Y
H
E
T
L
V
H
--
P
A
M
LT
H
--
P
E
P
K
--
R
V
L
I
V
G
G
G
E
G
A
T
L
R
E
V
L
K
H
P
T
V
E
K
A
V
M
V
D
I
D
G
E
L
V
E
V
A
K
R
H
M
P
E
W
H
-----
Q
G
A
F
------
D
------
D
P
R
A
V
L
V
I
D
D
A
R
A
Y
L
E
R
T
E
---
E
R
Y
D
V
V
I
I
D
L
T
D
P
VGE
D
N
P
--
A
-
R
L
L
Y
T
V
E
F
Y
R
L
V
K
A
H
L
N
P
G
G
V
M
G
M
Q
A
G
M
I
L
L
T
H
H
R
V
H
P
V
V
H
R
T
V
R
E
A
-
F
R
-
Y
V
R
S
Y
------
K
-
N
H
I
P
G
F
--
F
L--
N
F
G
F
L
L
A
------------------------------------------------------------------------------------
48
PsiBlast_CBE
69.60
32%
-92
- C1 -
4UOE
4
?
C:
[29-224]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
FES
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
VP
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
KKVEYA
N
-
I
S
I
P
T
Y
-------------------------------------------------------------------------------------------------
50
PsiBlast_CBE
68.98
32%
-89
- C1 -
4UOE
2
?
A:
[29-224]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
F
E
S
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
V
P
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
K
K
V
E
Y
A
N
-
I
S
I
P
T
Y
-------------------------------------------------------------------------------------------------
49
PsiBlast_CBE
68.94
32%
-92
- C1 -
4UOE
4
?
B:
[29-224]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
FES
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
VP
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
KKVEYA
N
-
I
S
I
P
T
Y
-------------------------------------------------------------------------------------------------
45
PsiBlast_CBE
67.99
32%
-90
- C1 -
2PWP
3
?
C:
[30-225]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
K
Y
Q
N
V
-
L
V
FES
T
T
-
Y
G
----
K
--
V
L
V
L
D
G
V
I
Q
L
T
E
K
D
E
F
A
Y
H
E
M
M
T
H
VP
M
T
V
--
S
--
K
E
P
K
--
N
V
L
V
V
G
G
G
D
G
G
I
I
R
E
L
C
K
Y
K
S
V
E
N
I
D
I
C
E
I
D
E
T
V
I
E
V
S
K
I
Y
F
K
N
I
S
-----
C
G
Y
E
------
D
-------
K
R
V
N
V
F
I
E
D
A
S
K
F
L
E
N
V
T
---
N
T
Y
D
V
I
I
V
D
S
S
D
P
---
I
G
P
--
A
-
E
T
L
F
N
Q
N
F
Y
E
K
I
Y
N
A
L
K
P
N
G
Y
C
V
A
Q
C
E
S
-------
L
W
I
H
V
G
-
T
I
K
N
M
I
G
Y
-
A
K
K
L
F
KKVEYA
N
-
I
S
I
P
T
Y
-------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
67.04
31%
-105
- C1 -
4YUW
2
?
B:
[67-245]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
D
G
C
I
Q
V
T
D
Y
D
E
F
V
Y
H
E
V
L
G
H
--
T
S
L
--
C
--
S
H
P
K
PE
R
V
L
I
I
G
G
G
D
G
G
V
L
R
E
V
L
R
H
G
T
V
E
H
C
D
L
V
D
I
D
G
E
V
M
E
Q
S
K
Q
H
F
P
Q
I
S
-----
R
-
S
L
------
A
------
D
P
R
A
T
V
R
V
G
D
G
L
A
F
V
R
--
Q
T
P
D
N
T
Y
D
V
V
I
I
D
T
T
D
P
---
A
G
P
--
A
-
S
K
L
F
G
E
A
F
Y
K
D
V
L
R
I
L
K
P
D
G
I
C
C
N
Q
G
E
S
I
W
L
D
L
E
L
I
E
K
M
S
R
-
F
I
R
E
T
-
G
F
-
A
S
V
Q
Y
------
A
L
M
H
V
P
T
Y
-------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
67.02
31%
-104
- C1 -
4YUW
2
?
A:
[67-245]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
D
G
C
I
Q
V
T
D
Y
D
E
F
V
Y
H
E
V
L
G
H
--
T
S
L
--
C
--
S
H
P
K
PE
R
V
L
I
I
G
G
G
D
G
G
V
L
R
E
V
L
R
H
G
T
V
E
H
C
D
L
V
D
I
D
G
E
V
M
E
Q
S
K
Q
H
F
P
Q
I
S
-----
R
-
S
L
------
A
------
D
P
R
A
T
V
R
V
G
D
G
L
A
F
V
R
--
Q
T
P
D
N
T
Y
D
V
V
I
I
D
T
T
D
P
---
A
G
P
--
A
-
S
K
L
F
G
E
A
F
Y
K
D
V
L
R
I
L
K
P
D
G
I
C
C
N
Q
G
E
S
I
W
L
D
L
E
L
I
E
K
M
S
R
-
F
I
R
E
T
-
G
F
-
A
S
V
Q
Y
------
A
L
M
H
V
P
T
Y
-------------------------------------------------------------------------------------------------