@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_0222: (2015-12-13 )
MEKLVIGSRGSELALWQANHIKERLKKECSMESEIRIVKTTGDKILDAPLNKIGGKGLFTKELEELLLKGAIDLAVHSLKDVPVVFEKGLDLACITKRADVRDTFLSVKFPDLMSLPKGAKVGTTSLRRSMQIKFKRKDLDTESLRGNVQTRLKKLECGEFDAIILAEAGLCRLNVQGAKYRKAFSVKEMIPSMGQGALGVEMLKNHKHFITLQKLNNEESAFCCHLEREFIKGLNGGCQIPIGVHANLMGDEVKIRAVLGLPNGKEVIAKEKQGDKTKAFDLVQELLEEFLQSGAKEILEKAQLF
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-------....------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
---ME
K
L
V
IG--SRG
S
E
L
A
L
W
Q
A
-
N
H
I
K
E
R
L
-
K
K
E
-C-S-MES
E
-----
I
R
I
--
V
KTTGD
K
I
L
D
A
P
L
N
KIGGK-GL
F
T
K
E
L
E
E
L
L
L
K
G
A
I
D
L
A
V
H
S
LKDV
P
V
V
F
EK--GL
D
L
--
A
C
I
TKRADVRD--
T
F
L-SVK----
F
---
P
D
L
MSLPK--GAKV
G
---
T
---
T
S
L
R
R-
S
M
Q
I
K
F
KR-------KDL
D
T
-
E
S
LR
G
---
N
---
V
Q
T
R
L
K
KL-EC-GEF
D
A
I
I
L
AEA
G
L
C
R
L
NV-QGA
K
Y
R
K
A
F
S
V
K
E
M
I
P
S
M-GQG
A
L
G
V
E
-
M
L
K-N-H-K
H
F
I
T
-
L
QK-LNNEE
S
A
F
C
C
H
L
E
R
E
F
I
K
GLN--G--GC
Q
I
P
I
G
V
H
ANLM-G--D
E
---
V
K
I
R
A
V
LGLPN
G
K
E
V
I
AKEKQ-G-----------------------------D----K
T
K
A
F
D
L
V
Q
E
L
L
E
-------
E
F
L
Q
S
G
--
A
-
K
E
I
L
E
K
-------AQLF------
31
HHSearch
88.40
46%
-76
* C4 *
1GTK
1
HEM3_ECOLI
A:
[3-308]
---
D
N
V
L
R
I
A
--
T
R
Q
S
P
L
A
L
W
Q
A
-
H
Y
V
K
D
K
L
-
M
A
S
-
H
-
P
G
L
V
V
E
-----
L
V
P
--
M
V
------------------
G
L
F
V
K
E
L
E
V
A
L
L
E
N
R
A
D
I
A
V
H
S
M
K
D
V
P
V
E
F
P
Q
--
G
L
G
L
--
V
T
I
C
E
R
E
D
P
R
D
--
A
F
V
-
S
N
N
----
Y
---
D
S
L
D
A
L
P
A
--
G
S
I
V
G
---
T
---
S
S
L
R
R
-
Q
C
Q
L
A
E
R
R
-------
P
D
L
I
I
-
R
S
L
R
G
---
N
---
V
G
T
R
L
S
K
L
-
D
N
-
G
E
Y
D
A
I
I
L
A
V
A
G
L
K
R
L
G
L
E
S
R
I
--
R
A
A
L
P
P
E
I
S
L
P
A
V
-
G
Q
G
A
V
G
I
E
-
C
R
L
-
D
-
D
S
R
T
R
E
L
-
L
A
A
-
L
N
H
H
E
T
A
L
R
V
T
A
E
R
A
M
N
T
R
L
E
--
G
--
G
C
Q
V
P
I
G
S
Y
A
E
L
I
-
D
--
G
E
---
I
W
L
R
A
L
V
G
A
P
D
G
S
Q
I
I
R
G
E
R
R
-
G
-----------------------------
A
----
P
Q
D
A
E
Q
M
G
I
S
L
A
E
-------
E
L
L
N
N
G
--
A
-
R
E
I
L
A
E
-------
V
Y
N
G
------
32
HHSearch
87.41
38%
-82
- C4 -
3ECR
1
HEM3_HUMAN
A:
[21-358]
---
M
R
V
I
R
V
G
--
T
R
K
S
Q
L
A
R
I
Q
T
-
D
S
V
V
A
T
L
-
K
A
S
-
Y
-
P
G
L
Q
F
E
-----
I
I
A
--
M
--------------------
L
F
T
K
E
L
E
H
A
L
E
K
N
E
V
D
L
V
V
H
S
L
K
D
L
P
T
V
L
P
P
--
G
F
T
I
--
G
A
I
C
K
R
E
N
P
H
D
--
A
V
V
-
F
H
P
----
K
FVG
K
T
L
E
T
L
P
E
--
K
S
V
V
G
---
T
---
S
S
L
R
R
-
A
A
Q
L
Q
R
K
F
-------
P
H
L
E
F
-
R
S
I
R
G
---
N
---
L
N
T
R
L
R
K
L
-
D
E
Q
Q
E
F
S
A
I
I
L
A
T
A
G
L
Q
R
M
G
W
H
N
R
V
--
G
Q
I
L
H
P
E
E
C
M
Y
A
V
-
G
Q
G
A
L
G
V
E
-
V
R
A
-
K
-
D
Q
D
I
L
D
L
-
V
G
V
-
L
H
D
P
E
T
L
L
R
C
I
A
E
R
A
F
L
R
H
L
E
------
C
S
V
P
V
A
V
H
T
A
M
K
-
D
--
G
Q
---
L
Y
L
T
G
G
V
W
S
L
D
G
S
D
S
I
Q
E
T
M
Q
-
A
T
I
H
VPAQHEDGPEDDPQLVGITARNIP
R
G
P
----
Q
L
A
A
Q
N
L
G
I
S
L
A
N
-------
L
L
L
S
K
G
--
A
-
K
N
I
L
D
V
-------
A
R
Q
-------
5
PsiBlast_PDB
86.67
46%
-72
- C4 -
1AH5
1
HEM3_ECOLI
A:
[6-303]
------
L
R
I
A
--
T
R
Q
S
P
L
A
L
W
Q
A
-
H
Y
V
K
D
K
L
M
A
S
H
-
P
-
G
-
L
V
V
E
-----
L
V
P
--
M
V
T
R
G
D
------------
K
-
G
L
F
V
K
E
L
E
V
A
L
L
E
N
R
A
D
I
A
V
H
S
M
K
D
V
P
V
E
F
P
Q
--
G
L
G
L
--
V
T
I
C
E
R
E
D
P
R
D
--
A
F
V
-
S
N
N
----
Y
---
D
S
L
D
A
L
P
A
--
G
S
I
V
G
---
T
---
S
S
L
R
R
-
Q
C
Q
L
A
E
R
R
-------
P
D
L
I
I
-
R
S
L
R
G
---
N
---
V
G
T
R
L
S
K
L
-
D
N
-
G
E
Y
D
A
I
I
L
A
V
A
G
L
K
R
L
G
L
-
E
-
S
R
I
R
A
A
L
P
P
E
I
S
L
P
A
V
-
G
Q
G
A
V
G
I
E
C
R
L
D
-
D
-
S
-
R
T
R
E
L
-
L
A
A
-
L
N
H
H
E
T
A
L
R
V
T
A
E
R
A
M
N
T
R
L
E
--
G
--
G
C
Q
V
P
I
G
S
Y
A
E
L
I
-
D
--
G
E
---
I
W
L
R
A
L
V
G
A
P
D
G
S
Q
I
I
R
G
E
R
R
-
G
-----------------------------
A
----
P
Q
D
A
E
Q
M
G
I
S
L
A
E
-------
E
L
L
N
N
G
--
A
-
R
E
I
L
A
E
-------
V
Y
N
G
------
1
PsiBlast_PDB
86.25
46%
-75
- C4 -
2YPN
1
HEM3_ECOLI
A:
[6-303]
------
L
R
I
A
--
T
R
Q
S
P
L
A
L
W
Q
A
-
H
Y
V
K
D
K
L
M
A
S
H
-
P
-
G
-
L
V
V
E
-----
L
V
P
--
M
V
------------------
G
L
F
V
K
E
L
E
V
A
L
L
E
N
R
A
D
I
A
V
H
S
M
K
D
V
P
V
E
F
P
Q
--
G
L
G
L
--
V
T
I
C
E
R
E
D
P
R
D
--
A
F
V
-
S
N
N
----
Y
---
D
S
L
D
A
L
P
A
--
G
S
I
V
G
---
T
---
S
S
L
R
R
-
Q
C
Q
L
A
E
R
R
-------
P
D
L
I
I
-
R
S
L
R
G
---
N
---
V
G
T
R
L
S
K
L
-
D
N
-
G
E
Y
D
A
I
I
L
A
V
A
G
L
K
R
L
G
L
-
E
-
S
R
I
R
A
A
L
P
P
E
I
S
L
P
A
V
-
G
Q
G
A
V
G
I
E
C
R
L
D
-
D
-
S
-
R
T
R
E
L
-
L
A
A
-
L
N
H
H
E
T
A
L
R
V
T
A
E
R
A
M
N
T
R
L
E
--
G
--
G
C
Q
V
P
I
G
S
Y
A
E
L
I
-
D
--
G
E
---
I
W
L
R
A
L
V
G
A
P
D
G
S
Q
I
I
R
G
E
R
R
-
G
-----------------------------
A
----
P
Q
D
A
E
Q
M
G
I
S
L
A
E
-------
E
L
L
N
N
G
--
A
-
R
E
I
L
A
E
-------
V
Y
N
G
------
2
PsiBlast_PDB
85.43
46%
-74
- C4 -
1GTK
1
HEM3_ECOLI
A:
[6-303]
------
L
R
I
A
--
T
R
Q
S
P
L
A
L
W
Q
A
-
H
Y
V
K
D
K
L
M
A
S
H
-
P
-
G
-
L
V
V
E
-----
L
V
P
--
M
V
------------------
G
L
F
V
K
E
L
E
V
A
L
L
E
N
R
A
D
I
A
V
H
S
M
K
D
V
P
V
E
F
P
Q
--
G
L
G
L
--
V
T
I
C
E
R
E
D
P
R
D
--
A
F
V
-
S
N
N
----
Y
---
D
S
L
D
A
L
P
A
--
G
S
I
V
G
---
T
---
S
S
L
R
R
-
Q
C
Q
L
A
E
R
R
-------
P
D
L
I
I
-
R
S
L
R
G
---
N
---
V
G
T
R
L
S
K
L
-
D
N
-
G
E
Y
D
A
I
I
L
A
V
A
G
L
K
R
L
G
L
-
E
-
S
R
I
R
A
A
L
P
P
E
I
S
L
P
A
V
-
G
Q
G
A
V
G
I
E
C
R
L
D
-
D
-
S
-
R
T
R
E
L
-
L
A
A
-
L
N
H
H
E
T
A
L
R
V
T
A
E
R
A
M
N
T
R
L
E
--
G
--
G
C
Q
V
P
I
G
S
Y
A
E
L
I
-
D
--
G
E
---
I
W
L
R
A
L
V
G
A
P
D
G
S
Q
I
I
R
G
E
R
R
-
G
-----------------------------
A
----
P
Q
D
A
E
Q
M
G
I
S
L
A
E
-------
E
L
L
N
N
G
--
A
-
R
E
I
L
A
E
-------
V
Y
N
G
------
4
PsiBlast_PDB
85.40
46%
-72
- C4 -
1PDA
2
HEM3_ECOLI
A:
[6-303]
------
L
R
I
A
--
T
R
Q
S
P
L
A
L
W
Q
A
-
H
Y
V
K
D
K
L
M
A
S
H
-
P
-
G
-
L
V
V
E
-----
L
V
P
--
M
V
T
R
G
D
V
I
---------
G
K
-
G
L
F
V
K
E
L
E
V
A
L
L
E
N
R
A
D
I
A
V
H
S
M
K
D
V
P
V
E
F
P
Q
--
G
L
G
L
--
V
T
I
C
E
R
E
D
P
R
D
--
A
F
V
-
S
N
N
----
Y
---
D
S
L
D
A
L
P
A
--
G
S
I
V
G
---
T
---
S
S
L
R
R
-
Q
C
Q
L
A
E
R
R
-------
P
D
L
I
I
-
R
S
L
R
G
---
N
---
V
G
T
R
L
S
K
L
-
D
N
-
G
E
Y
D
A
I
I
L
A
V
A
G
L
K
R
L
G
L
-
E
-
S
R
I
R
A
A
L
P
P
E
I
S
L
P
A
V
-
G
Q
G
A
V
G
I
E
C
R
L
D
-
D
-
S
-
R
T
R
E
L
-
L
A
A
-
L
N
H
H
E
T
A
L
R
V
T
A
E
R
A
M
N
T
R
L
E
--
G
--
A
C
Q
V
P
I
G
S
Y
A
E
L
I
-
D
--
G
E
---
I
W
L
R
G
L
V
G
A
P
D
G
S
Q
I
I
R
G
E
R
R
-
G
-----------------------------
A
----
P
Q
D
A
E
Q
M
G
I
S
L
A
E
-------
E
L
L
N
N
G
--
A
-
R
E
I
L
A
E
-------
V
Y
--------
3
PsiBlast_PDB
85.18
46%
-71
- C4 -
1YPN
1
HEM3_ECOLI
A:
[6-303]
------
L
R
I
A
--
T
R
Q
S
P
L
A
L
W
Q
A
-
H
Y
V
K
D
K
L
M
A
S
H
-
P
-
G
-
L
V
V
E
-----
L
V
P
--
M
V
T
R
G
D
V
----------
G
Q
-
G
L
F
V
K
E
L
E
V
A
L
L
E
N
R
A
D
I
A
V
H
S
M
K
D
V
P
V
E
F
P
Q
--
G
L
G
L
--
V
T
I
C
E
R
E
D
P
R
D
--
A
F
V
-
S
N
N
----
Y
---
D
S
L
D
A
L
P
A
--
G
S
I
V
G
---
T
---
S
S
L
R
R
-
Q
C
Q
L
A
E
R
R
-------
P
D
L
I
I
-
R
S
L
R
G
---
N
---
V
G
T
R
L
S
K
L
-
D
N
-
G
E
Y
D
A
I
I
L
A
V
A
G
L
K
R
L
G
L
-
E
-
S
R
I
R
A
A
L
P
P
E
I
S
L
P
A
V
-
G
Q
G
A
V
G
I
E
C
R
L
D
-
D
-
S
-
R
T
R
E
L
-
L
A
A
-
L
N
H
H
E
T
A
L
R
V
T
A
E
R
A
M
N
T
R
L
E
--
G
--
G
C
Q
V
P
I
G
S
Y
A
E
L
I
-
D
--
G
E
---
I
W
L
R
A
L
V
G
A
P
D
G
S
Q
I
I
R
G
E
R
R
-
G
-----------------------------
A
----
P
Q
D
A
E
Q
M
G
I
S
L
A
E
-------
E
L
L
N
N
G
--
A
-
R
E
I
L
A
E
-------
V
---------
8
PsiBlast_PDB
83.33
41%
-72
- C4 -
4HTG
2
HEM3_ARATH
A:
[15-311]
--------
I
G
--
T
R
G
S
P
L
A
L
A
Q
A
-
Y
E
T
R
E
K
L
-
K
K
K
-
H
-
P
-
E
L
V
E
DGA
I
H
I
E
I
--
I
K
T
T
G
D
K
I
L
S
Q
P
L
A
D
I
G
G
K
-
G
L
F
T
K
E
I
D
E
A
L
I
N
G
H
I
D
I
A
V
H
S
M
K
D
V
P
T
Y
L
P
E
--
K
T
I
L
--
P
C
N
L
P
R
E
D
V
R
D
--
A
F
I
-
C
L
T
----
A
---
A
T
L
A
E
L
P
A
--
G
S
V
V
G
---
T
---
A
S
L
R
R
-
K
S
Q
I
L
H
K
Y
-------
P
A
L
H
V
E
E
N
F
R
G
---
N
---
V
Q
T
R
L
S
K
L
-
Q
G
-
G
K
V
Q
A
T
L
L
A
L
A
G
L
K
R
L
S
M
-
T
-
E
N
V
A
S
I
L
S
L
D
E
M
L
P
A
V
-
A
Q
G
A
I
G
I
A
-
C
R
T
-
D
-
D
-
D
K
M
A
T
Y
L
A
S
-
L
N
H
E
E
T
R
L
A
I
S
C
E
R
A
F
L
E
T
L
D
--
G
--
S
C
R
T
P
I
A
G
Y
A
S
---
K
--
D
E
EG
N
C
I
F
R
G
L
V
A
S
P
D
G
T
K
V
L
E
T
S
R
K
-
G
---------------------------------------
P
Y
V
Y
E
D
M
V
-------
K
M
G
K
D
A
--
G
-
Q
E
L
L
S
------------------
6
PsiBlast_PDB
82.08
39%
-70
- C4 -
4MLQ
2
?
A:
[3-307]
---
M
R
K
I
I
V
G
--
S
R
R
S
K
L
A
L
T
Q
T
-
K
W
V
I
E
Q
L
-
K
K
Q
G
L
-
P
-
F
E
F
E
-----
I
K
E
--
M
V
----------------------
K
E
I
E
Q
A
M
L
D
K
E
I
D
M
A
V
H
S
M
K
D
M
P
A
V
L
P
E
--
G
L
T
I
--
G
C
I
P
L
R
E
D
H
R
D
--
A
L
I
-
S
K
N
----
G
---
E
R
F
E
E
L
P
S
--
G
A
V
I
G
---
T
---
S
S
L
R
R
-
G
A
Q
L
L
S
M
R
-------
S
D
I
E
I
-
K
W
I
R
G
---
N
---
I
D
T
R
L
E
K
L
-
K
N
-
E
D
Y
D
A
I
I
L
A
A
A
G
L
S
R
M
G
W
-
S
K
D
T
V
T
Q
Y
L
E
P
E
I
S
V
P
A
V
-
G
Q
G
A
L
A
I
E
-
C
R
E
-
N
D
H
-
E
L
L
S
L
-
L
Q
A
-
L
N
H
D
E
T
A
R
A
V
R
A
E
R
V
F
L
K
E
M
E
--
G
--
G
C
Q
V
P
I
A
G
Y
G
R
I
L
D
G
--
G
N
---
I
E
L
T
S
L
V
A
S
P
D
G
K
T
I
Y
K
E
H
I
T
-
G
-----------------------------
K
----
D
P
I
A
I
G
--
S
E
A
A
E
-------
R
L
T
S
Q
G
--
A
-
K
L
L
I
D
R
-------
V
K
E
E
------
7
PsiBlast_PDB
81.95
39%
-70
- C4 -
4MLV
2
?
A:
[3-307]
---
M
R
K
I
I
V
G
--
S
R
R
S
K
L
A
L
T
Q
T
-
K
W
V
I
E
Q
L
-
K
K
Q
G
L
-
P
-
F
E
F
E
-----
I
K
E
--
M
V
----------------------
K
E
I
E
Q
A
M
L
D
K
E
I
D
M
A
V
H
S
M
K
D
M
P
A
V
L
P
E
--
G
L
T
I
--
G
C
I
P
L
R
E
D
H
R
D
--
A
L
I
-
S
K
N
----
G
---
E
R
F
E
E
L
P
S
--
G
A
V
I
G
---
T
---
S
S
L
R
R
-
G
A
Q
L
L
S
M
R
-------
S
D
I
E
I
-
K
W
I
R
G
---
N
---
I
D
T
R
L
E
K
L
-
K
N
-
E
D
Y
D
A
I
I
L
A
A
A
G
L
S
R
M
G
W
-
S
K
D
T
V
T
Q
Y
L
E
P
E
I
S
V
P
A
V
-
G
Q
G
A
L
A
I
E
-
C
R
E
-
N
D
H
-
E
L
L
S
L
-
L
Q
A
-
L
N
H
D
E
T
A
R
A
V
R
A
E
R
V
F
L
K
E
M
E
--
G
--
G
C
Q
V
P
I
A
G
Y
G
R
I
L
D
G
--
G
N
---
I
E
L
T
S
L
V
A
S
P
D
G
K
T
I
Y
K
E
H
I
T
-
G
-----------------------------
K
----
D
P
I
A
I
G
--
S
E
A
A
E
-------
R
L
T
S
Q
G
--
A
-
K
L
L
I
D
R
-------
V
K
E
E
------
10
PsiBlast_PDB
75.53
41%
-86
- C4 -
3EQ1
4
HEM3_HUMAN
A:
[19-271]
----
R
V
I
R
V
G
--
T
R
K
S
Q
L
A
R
I
Q
T
-
D
S
V
V
A
T
L
-
K
A
S
-
Y
-
P
G
L
Q
F
E
-----
I
I
A
------------------------
F
T
K
E
L
E
H
A
L
E
K
N
E
V
D
L
V
V
H
S
L
K
D
L
P
T
V
L
P
P
--
G
F
T
I
--
G
A
I
C
K
R
E
N
P
H
D
--
A
V
V
F
H
P
K
----
F
VG-
K
T
L
E
T
L
P
E
--
K
S
V
V
G
---
T
---
S
S
L
R
R
-
A
A
Q
L
Q
R
K
F
-------
P
H
L
E
F
-
R
S
I
Q
G
---
N
---
L
N
T
R
L
R
K
L
D
E
Q
-
Q
E
F
S
A
I
I
L
A
T
A
G
L
Q
R
M
G
W
-
H
N
-
R
V
G
Q
I
L
H
P
E
E
C
M
Y
A
V
-
G
Q
G
A
L
G
V
E
-
V
R
A
-
K
-
D
-
Q
D
I
L
D
-
L
V
G
V
L
H
D
P
E
T
L
L
R
C
I
A
E
R
A
F
L
R
H
L
E
--
G
--
G
C
S
V
P
V
A
V
H
T
A
M
K
-
D
--
G
Q
---
L
Y
L
T
G
G
V
W
S
L
D
G
S
D
S
I
Q
E
T
M
Q
-
A
-----------------------------
T
----
I
H
V
P
Q
H
E
D
D
P
Q
L
V
-------
G
I
T
A
R
N
--
I
-
P
R
G
P
Q
L
-------
A
A
Q
N
------
22
PsiBlast_CBE
75.32
41%
-87
- C4 -
3EQ1
5
HEM3_HUMAN
B:
[19-271]
----
R
V
I
R
V
G
--
T
R
K
S
Q
L
A
R
I
Q
T
-
D
S
V
V
A
T
L
-
K
A
S
-
Y
-
P
G
L
Q
F
E
-----
I
I
A
------------------------
F
T
K
E
L
E
H
A
L
E
K
N
E
V
D
L
V
V
H
S
L
K
D
L
P
T
V
L
P
P
--
G
F
T
I
--
G
A
I
C
K
R
E
N
P
H
D
--
A
V
V
F
H
P
K
----
F
VG-
K
T
L
E
T
L
P
E
--
K
S
V
V
G
---
T
---
S
S
L
R
R
-
A
A
Q
L
Q
R
K
F
-------
P
H
L
E
F
-
R
S
I
Q
G
---
N
---
L
N
T
R
L
R
K
L
D
E
Q
-
Q
E
F
S
A
I
I
L
A
T
A
G
L
Q
R
M
G
W
-
H
N
-
R
V
G
Q
I
L
H
P
E
E
C
M
Y
A
V
-
G
Q
G
A
L
G
V
E
-
V
R
A
-
K
-
D
-
Q
D
I
L
D
-
L
V
G
V
L
H
D
P
E
T
L
L
R
C
I
A
E
R
A
F
L
R
H
L
E
--
G
--
G
C
S
V
P
V
A
V
H
T
A
M
K
-
D
--
G
Q
---
L
Y
L
T
G
G
V
W
S
L
D
G
S
D
S
I
Q
E
T
M
Q
-
A
-----------------------------
T
----
I
H
V
P
Q
H
E
D
D
P
Q
L
V
-------
G
I
T
A
R
N
--
I
-
P
R
G
P
Q
L
-------
A
A
Q
N
------
9
PsiBlast_PDB
75.17
41%
-87
- C4 -
3ECR
1
HEM3_HUMAN
A:
[21-274]
---
M
R
V
I
R
V
G
--
T
R
K
S
Q
L
A
R
I
Q
T
-
D
S
V
V
A
T
L
-
K
A
S
-
Y
-
P
G
L
Q
F
E
-----
I
I
A
--
M
--------------------
L
F
T
K
E
L
E
H
A
L
E
K
N
E
V
D
L
V
V
H
S
L
K
D
L
P
T
V
L
P
P
--
G
F
T
I
--
G
A
I
C
K
R
E
N
P
H
D
--
A
V
V
F
H
P
K
----
F
VG-
K
T
L
E
T
L
P
E
--
K
S
V
V
G
---
T
---
S
S
L
R
R
-
A
A
Q
L
Q
R
K
F
-------
P
H
L
E
F
-
R
S
I
R
G
---
N
---
L
N
T
R
L
R
K
L
D
E
Q
-
Q
E
F
S
A
I
I
L
A
T
A
G
L
Q
R
M
G
W
-
H
N
-
R
V
G
Q
I
L
H
P
E
E
C
M
Y
A
V
-
G
Q
G
A
L
G
V
E
-
V
R
A
-
K
-
D
-
Q
D
I
L
D
-
L
V
G
V
L
H
D
P
E
T
L
L
R
C
I
A
E
R
A
F
L
R
H
L
E
------
C
S
V
P
V
A
V
H
T
A
M
K
-
D
--
G
Q
---
L
Y
L
T
G
G
V
W
S
L
D
G
S
D
S
I
Q
E
T
M
Q
-
A
-----------------------------
T
----
I
H
V
P
A
Q
H
E
D
G
P
E
D
-------
D
P
Q
L
V
G
--
I
-
T
A
R
N
I
P
-------
R
G
P
Q
------
21
PsiBlast_CBE
73.25
41%
-83
- C4 -
3ECR
1
HEM3_HUMAN
B:
[22-274]
----
R
V
I
R
V
G
--
T
R
K
S
Q
L
A
R
I
Q
T
-
D
S
V
V
A
T
L
-
K
A
S
-
Y
-
P
G
L
Q
F
E
-----
I
I
A
--
M
-------------
K
I
G
E
K
-
S
L
F
T
K
E
L
E
H
A
L
E
K
N
E
V
D
L
V
V
H
S
L
K
D
L
P
T
V
L
P
P
--
G
F
T
I
--
G
A
I
C
K
R
E
N
P
H
D
--
A
V
V
F
H
P
K
----
F
VG-
K
T
L
E
T
L
P
E
--
K
S
V
V
G
---
T
---
S
S
L
R
R
-
A
A
Q
L
Q
R
K
F
-------
P
H
L
E
F
-
R
S
I
R
G
---
N
---
L
N
T
R
L
R
K
L
D
E
Q
-
Q
E
F
S
A
I
I
L
A
T
A
G
L
Q
R
M
G
W
-
H
N
-
R
V
G
Q
I
L
H
P
E
E
C
M
Y
A
V
-
G
Q
G
A
L
G
V
E
-
V
R
A
-
K
-
D
-
Q
D
I
L
D
-
L
V
G
V
L
H
D
P
E
T
L
L
R
C
I
A
E
R
A
F
L
R
H
L
E
------
C
S
V
P
V
A
V
H
T
A
M
K
-
D
--
G
Q
---
L
Y
L
T
G
G
V
W
S
L
D
G
S
D
S
I
Q
E
T
M
Q
-
A
-----------------------------
T
----
I
H
P
Q
L
V
G
I
T
A
R
N
I
-------
P
R
G
P
Q
L
--
A
-
A
Q
N
L
G
I
-------
S
L
A
N
------
51
Fugue
67.97
46%
-55
- C4 -
1PDA
2
?
?:
[3-219]
---
D
N
V
L
R
I
A
--
T
R
Q
S
P
L
A
L
W
Q
A
-
H
Y
V
K
D
K
L
-
M
A
S
-
H
P
G
-
L
V
V
E
-----
L
V
P
--
M
V
T
R
G
D
V
---------
I
G
K
-
G
L
F
V
K
E
L
E
V
A
L
L
E
N
R
A
D
I
A
V
H
S
M
K
D
V
P
V
E
F
P
Q
--
G
L
G
L
--
V
T
I
C
E
R
E
D
P
R
D
--
A
F
V
-
S
N
N
----
Y
---
D
S
L
D
A
L
P
A
--
G
S
I
V
G
---
T
---
S
S
L
R
R
-
Q
C
Q
L
A
E
R
R
-------
P
D
L
I
I
-
R
S
L
R
G
---
N
---
V
G
T
R
L
S
K
L
-
D
N
-
G
E
Y
D
A
I
I
L
A
V
A
G
L
K
R
L
G
--
L
E
S
R
I
R
A
A
L
P
P
E
I
S
L
P
A
V
-
G
Q
G
A
V
G
I
E
-
C
R
L
-
D
-
D
--------------------------------------------------------------------------------------------------------------------------------------------------
S
R
T
R
E
L
-------
L
A
A
L
------
55
Fugue
50.14
16%
-41
- C4 -
3E4R
1
?
A:
[25-315]
AAE
P
A
Q
L
R
I
G
Y
Q
K
A
V
S
S
L
V
L
A
K
Q
H
R
L
L
E
Q
R
F
-
P
R
--------
T
K
-----
I
T
W
--
V
E
F
P
A
------------------
G
P
Q
L
L
E
A
L
N
V
G
S
I
D
L
G
G
A
G
--
D
I
P
P
L
F
A
Q
A
A
G
A
D
L
--
L
Y
V
G
W
V
P
P
T
P
K
A
E
T
I
L
-
V
P
S
----
K
---
S
A
L
R
T
V
A
D
LK
G
K
R
I
A
---
F
QKG
S
S
A
H
N
-
L
L
L
R
V
L
A
K
-------
S
G
L
S
M
-
R
D
I
T
P
---
L
YLS
P
A
N
A
R
A
A
F
-
A
A
-
G
Q
V
D
A
W
A
I
W
D
P
W
Y
S
A
L
T
L
-
D
G
-------
S
A
R
L
L
A
N
G
E
-
G
--------
L
G
L
-
T
-
G
-
G
F
F
L
S
-
S
R
R
-
Y
A
T
A
W
G
P
F
V
Q
Q
V
M
G
T
L
N
Q
A
D
G
--
L
--
L
E
R
-----
D
R
A
G
S
-
I
--
K
T
---
L
A
Q
V
S
G
L
P
P
A
V
V
E
R
T
L
A
H
R
P
P
-
A
-----------------------------
S
VQPL
S
A
Q
V
I
K
A
Q
Q
A
T
A
D
-------
L
F
Y
A
Q
R
LL
P
-
K
R
V
L
V
A
-------
P
A
V
W
R
A
P
D--
54
Fugue
42.20
22%
-14
* C5 *
2A35
-
?
A:
[4-215]
---------------------------------------------------------
T
P
K
R
V
L
L
A
G
A
T
G
L
T
G
E
-
H
L
L
D
R
I
L
S
E
P
T
L
A
K
V
I
A
P
A
R
K
A
L
A
E
H
P
---------------------------------------------------------------------------------------
R
L
-
D
N
P
V
G
---
P
---
L
A
E
L
L
P
Q
L
-
D
--
G
S
I
D
T
A
F
C
C
L
G
T
----
T
I
-
K
E
A
G
S
E
E
A
F
R
A
V
D
F
D
L
P
L
-
A
V
G
K
R
A
L
E
-
M
G
A
-
R
-
H
-
Y
L
V
V
S
-
A
L
G
-
A
D
A
K
S
S
I
F
Y
N
R
V
K
G
E
L
E
Q
A
L
Q
E
Q
G
--
W
P
Q
L
T
I
A
R
P
S
L
L
F
-
G
PR
E
E
---
F
R
L
A
E
I
L
A
A
P
-------
I
A
G
K
-
Y
-----------------------------
H
----
G
I
E
A
C
D
L
A
R
A
L
W
R
-------
L
A
L
E
E
G
--
K
G
V
R
F
V
E
S
-------
D
E
L
R
K
L
G
KGS
58
Fugue
42.02
12%
-21
- C4 -
3UIF
3
?
A:
[2-331]
VED
L
K
V
V
R
I
A
--
S
V
A
T
N
V
G
G
K
T
V
-
Y
A
G
S
A
S
L
-
V
V
N
-
G
-
A
-
F
P
E
E
-----
L
R
K
Q
G
I
K
V
E
W
V
P
A
----------
A
M
A
S
V
G
P
V
I
N
E
G
F
A
S
G
K
I
D
F
G
I
Y
G
D
L
P
P
I
I
L
N
A
S
--
K
P
T
V
--
Q
L
V
A
P
W
G
T
T
S
N
--
S
Y
L
-
V
V
P
KNST
A
---
K
S
I
K
D
L
-
K
--
G
K
K
I
A
L
HR
G
---
R
P
W
E
L
-
A
F
S
N
L
L
Q
S
-------
E
G
L
T
F
-
K
D
F
K
I
V
N
V
N
---
P
Q
V
G
A
A
A
L
-
A
S
-
G
T
V
D
G
F
F
S
L
F
D
S
Y
I
L
E
D
R
-
G
V
G
K
I
I
W
S
T
K
T
A
P
V
D
W
K
L
M
G
G
V
W
A
R
N
D
-
F
V
K
Q
N
-
P
-
E
I
T
Q
A
-
I
V
T
-
A
Y
L
K
S
V
H
W
V
A
Q
D
E
N
K
E
T
Y
I
R
E
--
Y
SN
K
I
Y
P
E
S
V
N
R
R
E
Y
D
-
Q
--
D
N
---
V
S
W
R
Q
R
W
S
P
L
Y
D
V
A
L
Q
E
H
Y
R
K
A
V
-----------------------------
A
----
Y
A
Q
A
S
G
L
T
R
T
Q
A
D
V
Q
Q
M
L
NP
H
F
V
A
T
A
--
L
-
K
E
L
K
L
E
GF
W
T
P
N
A
E
N
L
Y
------
46
HHSearch
34.65
28%
-69
- C4 -
1SW5
1
?
A:
[6-63]
----
E
R
V
V
I
G
--
S
K
P
F
N
E
Q
Y
I
L
A
-
N
M
I
A
I
L
L
-
E
E
N
-
G
---
Y
K
A
E
-----
V
K
E
G-
L
G
G
T
L
V
--------------------
N
Y
E
A
L
K
R
N
D
I
Q
L
Y
V
E
Y
T
G
T
A
Y
N
V
I
L
R
--
K
Q
P
P
--
E
L
W
D
Q
Q
Y
I
F
D
E
--
V
K
K
-
G
L
L
----
E
---
A
D
G
V
V
V
A
A
--
K
L
G
F
R
---
D
---
D
Y
A
L
A
-
V
R
A
D
W
A
E
E
-------
N
G
V
E
K
-
I
S
D
L
A
---
E
---
F
A
D
Q
L
V
F
G
-
S
D
-
P
E
F
A
S
R
P
D
G
L
P
Q
I
K
K
V
Y
G
-
F
E
F
K
E
V
K
Q
M
E
P
T
L
M
Y
E
A
I
-
K
N
K
Q
V
D
V
I
-
P
A
Y
-
T
-
T
-
D
S
R
V
D
-
L
F
N
-
L
K
I
L
E
D
D
K
G
A
L
P
P
Y
D
A
I
I
I
V
N
--
G
--
N
T
A
K
D
E
K
L
I
S
V
L
K
-
L
--
L
E
---
D
R
I
D
T
D
T
M
R
A
L
N
Y
Q
Y
D
V
E
K
K
D
-
A
-----------------------------
R
----
E
I
A
M
S
F
L
K
E
Q
G
L
V
-------
K
--------------------------------
42
HHSearch
34.29
18%
-47
- C4 -
2X26
1
SSUA_ECOLI
A:
[44-161]
-------------------------------------------------------------------------------
Q
M
L
E
A
L
N
V
G
S
I
D
L
G
S
T
G
D
I
P
P
I
F
A
Q
A
A
--
G
A
D
L
VY
V
G
V
E
P
P
K
P
K
A
E
--
V
I
L
-
V
A
E
----
N
SPI
K
T
V
A
D
L
-
K
--
G
H
K
V
A
---
F
---
Q
K
G
S
S
S
H
N
L
L
L
R
A
L
R
Q
A
GLKF
T
D
I
Q
P
---
T
Y
L
---
T
---
P
A
D
A
R
A
A
F
-
Q
Q
-
G
N
V
D
A
W
A
I
W
D
P
Y
Y
S
A
A
L
L
-
Q
G
G
V
R
V
L
K
D
G
T
D
L
N
Q
T
G
S
-
F
Y
L
A
A
R
P
Y
-
A
E
K
-
N
-
G
-
A
F
I
Q
G
-
V
L
A
-
T
F
S
E
A
D
A
L
T
R
S
Q
R
E
Q
S
I
A
L
L
A
--
K
--
T
M
G
L
P
A
P
V
I
A
S
Y
L
-
D
--
H
R
---
P
P
T
T
I
K
P
V
N
A
E
V
A
A
L
Q
Q
Q
T
A
D
-
L
-----------------------------
F
----
Y
E
N
R
L
V
P
K
K
V
D
I
R
-------
Q
R
I
W
Q
P
--
T
-
Q
L
E
G
K
Q
-------
L
E
F
R
------