@TOME V2.3
(Mar 2018)
Ref.
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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 : spr1954: (2018-01-23 )
MVYYPQPVDNLVNKRSCKRRRYITMKKIKPHGPLPSQTQLAYLGDELAAFIHFGPNTFYDQEWGTGQEDPERFNPSQLDAREWVRVLKETGFKKLILVVKHHDGFVLYPTAHTDYSVKVSPWRRGKGDLLLEVSQAATEFDMDMGVYLSPWDAHSPLYHVDREADYNAYYLAQLKEILSNPNYGNAGKFAEVWMDGARGEGAQKVNYEFEKWFETIRDLQGDCLIFSTEGTSIRWIGNERGYAGDPLWQKVNLDKLGTEAELNYLQHGDPSGTIFSIGEADVSIRPGWFYHEDQDPKSLEELVEIYFHSVGRGTPLLLNIPPNQAGLFDAKDIERPYEFATYRNELYKEDLALGAEVSGPALSADFDCRHLTDGLETSSWASDADLPIQLELDLGSPKTFDVIELREDLKLGQRIAAFHVQVEVDGVWQEFGRGFTVGHKRLLRGPLVEAQKVRVMITEAQSIPVLTKISLYKTPGLSKKEVVQELAFAEKSLAVAKGETLHFRIERSRSSSSLEAKISIQPGTGVHGVAYQDEIYALAFQAGETEKRLTLPTLYFAGDKTLDFYLNLTVDGQLVDQLQVQVS
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.......470.......480.......490.......500.......510---------...-.....520..----.....530---.---........540.......550---.---....-..560.......570.......580.
(Atome)
(Ident)
(Tito)
(Num)
(QMean)
(Ligand)
(Uniprot)
MVYYPQ
P
V
D
N
L
V
N
K
R
S
CKRR
R
Y
I
T
MKKIKPHGPLPSQ
T
Q
L
A
Y
L
G
D
E
L
A
A
F
I
HFGPNTF--YD-Q-EWGTGQ------EDPERF
N
P
S
QL
D
A
R
E
W
V
R
V
L
K
ETGF
K
K
L
I
L
V
V
KHHD
G
F
V
L
Y
PTAHT
D
Y
S
V
KVSPWRRGKG
D
L
L
L
E
V
S
QAA
T
E
FDMDM
G
V
Y
LS-PWDAH---SP
L
Y
------------
H
VDREA------DY
N
A
Y
Y
L
A
Q
L
K
E
I
LSNPNYGNAG
K
F
A
E
V
---
W
MDGARG-----EG--A------------QKVN-------
Y
E
-
F
E
K
W
F
E
T
I
R
DLQG
D
C
L
I
F
-S----TEG----
T
----
S
I
R
W
IGNERGYAGDP
L
W
QKV------------
N
L
D
K----L------G--
T
-----
E
----
A
--E-
L
N
-------------
Y
---L--Q-------HGDPSG
T
I
F
S
I------------------------GEA
D
V
S
IR-----PG-----WFYH--EDQ--
D
P
--
K
--
S
L
E
E
L
V
E
I
Y
F
H
SVGRGT
P
L
L
L
NIPPNQAGLF
D
A
K
D
IERP
Y
E
F
A
T
Y
R
N
E
L
Y
K
E
D
L
ALGAEVS-GPAL-S-ADFD
C
R
H
LTDGLETSSWA-SDA-D-
L
P
I
Q
L
E
L
DLGSPKT--
F
D
V
I
E
L
R
E
D
L
K
LG
Q
R
I
A
A
F
H
V
Q
V
E
V-
D
-
G
V
-
W
---
Q
EF-------GR--------G---F---TV
G
H
K
R
L
LRGPLVE
A
Q
K
V
R
V
M
I
TEAQSI
P
V
L
T
K
I
S
L
Y
KTPGL
S
K
K
E
V
V
Q
E
L
A
F
A
E
K
S
L
A
VAKG
E
T
L
H
F
R
I
ERSRSS----------SS
L
-
E
A
K
I
S
IQPGT----GVHG
V
A
-----Y---QD
E
I
Y
A
L
A
FQAGETEK
R
L
TL
P
---
T
---
L
Y
FA-GD
K
T
L
D
F
Y
L
N
L
T
VD
G
Q
L
V
D
Q
L
Q
V
QVS
25
PsiBlast_CBE
75.13
34%
-23
- C2 -
-
3UET
4
?
B:
[19-477]
----------------------------------
P
S
S
R
Q
L
A
W
Q
R
M
E
M
Y
A
F
L
H
F
G
M
N
T
M
--
T
D
-
R
-
E
W
G
L
G
H
------
E
D
P
A
L
F
N
P
R
N
V
D
V
D
Q
W
M
D
A
L
V
A
G
G
M
A
G
V
I
L
T
C
K
H
H
D
G
F
C
L
W
P
S
R
L
T
R
H
T
V
A
S
S
P
W
R
E
G
K
G
D
L
V
R
E
V
S
E
S
A
R
R
H
G
L
K
F
G
V
Y
L
S
-
P
W
D
R
T
---
E
E
S
Y
------------
G
K
G
K
A
--------
Y
D
D
F
Y
V
G
Q
L
T
E
L
L
T
-----
Q
Y
G
P
I
F
S
V
---
W
L
A
G
A
N
G
-----
E
G
KN
G
------------
K
T
Q
Y
-------
Y
D
-
W
D
R
Y
Y
N
V
I
R
S
L
Q
P
D
A
V
I
--
S
----
V
C
G
----
P
----
D
V
R
W
A
G
N
A
A
G
H
V
R
D
N
E
W
S
V
V
------------
P
R
R
L
----
R
------
S
--
A
-----
E
----
L
------------------------------------------
T
T
V
SSQDDDLGSREAVAGYGDNVCWYP
A
E
V
D
T
S
I
R
-----
P
G
-----
W
F
Y
H
--
Q
S
E
--
D
D
--
K
VM
S
A
D
Q
L
F
D
L
W
L
S
A
V
G
G
N
S
S
L
L
L
N
I
P
P
S
P
E
G
L
L
A
E
P
D
V
Q
S
L
K
G
L
G
R
R
V
S
E
-
F
R
E
A
L
A
-
S
V
R
C
E
-
A
R
T
S
-
S
-
A
S
A
A
A
A
H
L
V
D
G
N
R
D
T
F
W
R
-
P
D
A
D
D
-
A
A
P
A
I
T
L
T
L
P
Q
P
T
T
--
I
N
A
I
V
I
E
E
A
I
E
H
G
Q
R
I
E
H
L
R
V
T
G
A
L
P
D
-
G
T
-
E
---
R
V
L
-------
G
Q
--------
A
---
G
---
T
V
G
Y
R
R
I
L
R
F
D
D
V
E
V
S
S
V
T
L
H
V
D
G
S
R
L
A
P
M
I
S
R
A
A
A
V
R
--------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
74.79
36%
-5
- C2 -
-
5K9H
8
?
A:
[33-469]
----------------------------
E
P
C
G
P
V
P
T
E
N
Q
L
R
W
Q
D
M
E
M
Y
A
F
I
H
Y
S
L
N
T
Y
--
T
D
-
E
-
E
W
G
Y
G
N
------
E
D
P
Q
L
F
N
P
S
S
L
D
C
R
Q
W
A
R
V
C
K
Q
A
G
M
R
G
I
I
F
T
A
K
H
H
C
G
F
C
M
W
P
S
A
Y
T
E
Y
S
V
K
N
S
P
W
K
N
G
K
G
D
V
V
R
E
L
A
D
A
C
R
E
E
G
L
K
F
A
V
Y
L
S
-
P
W
D
R
N
---
H
P
A
Y
------------
G
---
Q
P
------
A
Y
V
A
Y
F
R
N
Q
L
R
E
L
L
T
-----
N
Y
G
E
I
F
E
V
---
W
F
D
G
A
N
G
GDGWY
G
G
--
A
------------
N
E
T
R
K
I
DRTTY
Y
Q
-
W
P
E
T
Y
K
M
I
R
Q
L
Q
P
N
C
L
I
W
-
N
D
G--
S
D
R
----
G
----
D
L
R
W
V
G
T
E
A
G
N
V
G
E
T
N
W
S
L
L
------------
N
H
D
G
--------------------
E
----
V
--
E
-
W
H
-------------
M
---
L
--
H
-------
Y
G
L
E
N
G
D
S
W
V
P
------------------------
G
E
T
N
T
S
I
R
-----
P
G
-----
W
F
Y
H
DT
E
N
E
--
H
V
--
K
--
S
L
S
K
L
M
D
T
Y
Y
K
S
V
G
R
N
S
T
L
L
L
N
F
P
I
A
P
N
G
R
I
H
P
N
D
S
L
R
G
I
A
F
K
K
M
I
G
E
V
F
R
K
N
L
A
E
K
A
----------------
R
T
Q
T
K
G
D
E
T
V
----------------
I
D
F
G
K
P
T
T
--
F
N
R
F
L
A
E
E
D
I
R
Y
G
Q
R
V
K
K
F
L
L
E
A
E
I
-
N
-
G
Q
-
W
---
Q
Q
L
K
DALVEN
G
D
--------
G
---
L
T--
T
I
G
H
R
R
I
I
C
F
P
T
V
N
A
T
K
L
R
F
T
V
V
N
T
K
C
E
P
F
I
K
K
L
G
V
Y
L
A
P
E
L
T
---------------------------------------------------------------------------------------------------------------------------------------
50
HHSearch
74.15
37%
-18
- C2 -
-
3UES
2
?
B:
[13-477]
----------------------------
Y
L
A
N
V
R
P
S
S
R
Q
L
A
W
Q
R
M
E
M
Y
A
F
L
H
F
G
M
N
T
M
--
T
D
-
R
-
E
W
G
L
G
H
------
E
D
P
A
L
F
N
P
R
N
V
D
V
D
Q
W
M
D
A
L
V
A
G
G
M
A
G
V
I
L
T
C
K
H
H
D
G
F
C
L
W
P
S
R
L
T
R
H
T
V
A
S
S
P
W
R
E
G
K
G
D
L
V
R
E
V
S
E
S
A
R
R
H
G
L
K
F
G
V
Y
L
S
-
P
W
D
R
T
---
E
E
S
Y
------------
G
--
K
G
K
------
A
Y
D
D
F
Y
V
G
Q
L
T
E
L
L
T
Q
-----
Y
G
P
I
F
S
V
---
W
L
D
G
A
N
G
-----
E
G
--
K
NG----------
K
T
Q
Y
-------
Y
D
-
W
D
R
Y
Y
N
V
I
R
S
L
Q
P
D
A
V
I
S
-
V
-----
C
G
----
P
----
D
V
R
W
A
G
N
E
A
G
H
V
R
D
N
E
W
S
V
V
------------
P
R
R
L
RSAE
L
T--------------------------TTVSSQDDDLGSR
E
---
A
--
V
-------
A
G
Y
G
D
N
V
C
W
Y
P
------------------------
A
E
V
D
T
S
I
R
-----
P
G
-----
W
F
Y
H
--
Q
S
E
DD
K
V
--
M
--
S
A
D
Q
L
F
D
L
W
L
S
A
V
G
G
N
S
S
L
L
L
N
I
P
P
S
P
E
G
L
L
A
E
P
D
V
Q
S
L
K
G
L
G
R
R
V
S
E
F
-
R
E
A
L
A
S
V
-
R
C
E
-
A
R
T
S
-
S
-
A
S
A
A
A
A
H
L
V
D
G
N
R
D
T
F
W
R
-
P
D
A
-
D
D
A
A
P
A
I
T
L
T
L
P
Q
P
T
T
--
I
N
A
I
V
I
E
E
A
I
E
H
G
Q
R
I
E
H
L
R
V
T
G
A
L
-
P
D
G
T
-
E
---
R
V
L
-------
G
Q
--------
A
---
G
---
T
V
G
Y
R
R
I
L
R
F
D
D
V
E
V
S
S
V
T
L
H
V
D
G
S
R
L
A
P
M
I
S
R
A
A
A
V
R
--------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
73.79
34%
-19
- C2 -
-
3UES
2
?
B:
[19-477]
----------------------------------
P
S
S
R
Q
L
A
W
Q
R
M
E
M
Y
A
F
L
H
F
G
M
N
T
M
--
T
D
-
R
-
E
W
G
L
G
H
------
E
D
P
A
L
F
N
P
R
N
V
D
V
D
Q
W
M
D
A
L
V
A
G
G
M
A
G
V
I
L
T
C
K
H
H
D
G
F
C
L
W
P
S
R
L
T
R
H
T
V
A
S
S
P
W
R
E
G
K
G
D
L
V
R
E
V
S
E
S
A
R
R
H
G
L
K
F
G
V
Y
L
S
-
P
W
D
R
T
---
E
E
S
Y
------------
G
K
G
K
A
--------
Y
D
D
F
Y
V
G
Q
L
T
E
L
L
T
-----
Q
Y
G
P
I
F
S
V
---
W
L
D
G
A
N
G
-----
E
G
KN
G
------------
K
T
Q
Y
-------
Y
D
-
W
D
R
Y
Y
N
V
I
R
S
L
Q
P
D
A
V
I
--
S
----
V
C
G
----
P
----
D
V
R
W
A
G
N
E
A
G
H
V
R
D
N
E
W
S
V
V
------------
P
R
R
L
----
R
------
S
--
A
-----
E
----
L
--
T
---------------------------------------
T
T
V
SSQDDDLGSREAVAGYGDNV
C
W
Y
P
A
E
V
D
T
S
I
R
-----
P
G
-----
W
F
Y
H
--
Q
S
E
--
D
D
--
K
VM
S
A
D
Q
L
F
D
L
W
L
S
A
V
G
G
N
S
S
L
L
L
N
I
P
P
S
P
E
G
L
L
A
E
P
D
V
Q
S
L
K
G
L
G
R
R
V
S
E
-
F
R
E
A
L
A
-
S
V
R
C
E
-
A
R
T
S
-
S
-
A
S
A
A
A
A
H
L
V
D
G
N
R
D
T
F
W
R
-
P
D
A
D
D
-
A
A
P
A
I
T
L
T
L
P
Q
P
T
T
--
I
N
A
I
V
I
E
E
A
I
E
H
G
Q
R
I
E
H
L
R
V
T
G
A
L
P
D
-
G
T
-
E
---
R
V
L
-------
G
Q
--------
A
---
G
---
T
V
G
Y
R
R
I
L
R
F
D
D
V
E
V
S
S
V
T
L
H
V
D
G
S
R
L
A
P
M
I
S
R
A
A
A
V
R
--------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
73.76
34%
-21
- C2 -
-
3UET
4
?
A:
[19-477]
----------------------------------
P
S
S
R
Q
L
A
W
Q
R
M
E
M
Y
A
F
L
H
F
G
M
N
T
M
--
T
D
-
R
-
E
W
G
L
G
H
------
E
D
P
A
L
F
N
P
R
N
V
D
V
D
Q
W
M
D
A
L
V
A
G
G
M
A
G
V
I
L
T
C
K
H
H
D
G
F
C
L
W
P
S
R
L
T
R
H
T
V
A
S
S
P
W
R
E
G
K
G
D
L
V
R
E
V
S
E
S
A
R
R
H
G
L
K
F
G
V
Y
L
S
-
P
W
D
R
T
---
E
E
S
Y
------------
G
K
G
K
A
--------
Y
D
D
F
Y
V
G
Q
L
T
E
L
L
T
-----
Q
Y
G
P
I
F
S
V
---
W
L
A
G
A
N
G
-----
E
G
KN
G
------------
K
T
Q
Y
-------
Y
D
-
W
D
R
Y
Y
N
V
I
R
S
L
Q
P
D
A
V
I
--
S
----
V
C
G
----
P
----
D
V
R
W
A
G
N
A
A
G
H
V
R
D
N
E
W
S
V
V
------------
P
R
R
L
----
R
------
S
--
A
-----
E
----
L
------------------------------------------
T
T
V
SSQDDDLGSREAVAGYGDNV
C
W
Y
P
A
E
V
D
T
S
I
R
-----
P
G
-----
W
F
Y
H
--
Q
S
E
--
D
D
--
K
VM
S
A
D
Q
L
F
D
L
W
L
S
A
V
G
G
N
S
S
L
L
L
N
I
P
P
S
P
E
G
L
L
A
E
P
D
V
Q
S
L
K
G
L
G
R
R
V
S
E
-
F
R
E
A
L
A
-
S
V
R
C
E
-
A
R
T
S
-
S
-
A
S
A
A
A
A
H
L
V
D
G
N
R
D
T
F
W
R
-
P
D
A
D
D
-
A
A
P
A
I
T
L
T
L
P
Q
P
T
T
--
I
N
A
I
V
I
E
E
A
I
E
H
G
Q
R
I
E
H
L
R
V
T
G
A
L
P
D
-
G
T
-
E
---
R
V
L
-------
G
Q
--------
A
---
G
---
T
V
G
Y
R
R
I
L
R
F
D
D
V
E
V
S
S
V
T
L
H
V
D
G
S
R
L
A
P
M
I
S
R
A
A
A
V
R
--------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
73.26
34%
-21
- C2 -
-
3UES
2
?
A:
[19-477]
----------------------------------
P
S
S
R
Q
L
A
W
Q
R
M
E
M
Y
A
F
L
H
F
G
M
N
T
M
--
T
D
-
R
-
E
W
G
L
G
H
------
E
D
P
A
L
F
N
P
R
N
V
D
V
D
Q
W
M
D
A
L
V
A
G
G
M
A
G
V
I
L
T
C
K
H
H
D
G
F
C
L
W
P
S
R
L
T
R
H
T
V
A
S
S
P
W
R
E
G
K
G
D
L
V
R
E
V
S
E
S
A
R
R
H
G
L
K
F
G
V
Y
L
S
-
P
W
D
R
T
---
E
E
S
Y
------------
G
K
G
K
A
--------
Y
D
D
F
Y
V
G
Q
L
T
E
L
L
T
-----
Q
Y
G
P
I
F
S
V
---
W
L
D
G
A
N
G
-----
E
G
KN
G
------------
K
T
Q
Y
-------
Y
D
-
W
D
R
Y
Y
N
V
I
R
S
L
Q
P
D
A
V
I
--
S
----
V
C
G
----
P
----
D
V
R
W
A
G
N
E
A
G
H
V
R
D
N
E
W
S
V
V
------------
P
R
R
L
----
R
------
S
--
A
-----
E
----
L
--
T
---------------------------------------
T
T
V
SSQDDDLGSREAVAGYGDNV
C
W
Y
P
A
E
V
D
T
S
I
R
-----
P
G
-----
W
F
Y
H
--
Q
S
E
--
D
D
--
K
VM
S
A
D
Q
L
F
D
L
W
L
S
A
V
G
G
N
S
S
L
L
L
N
I
P
P
S
P
E
G
L
L
A
E
P
D
V
Q
S
L
K
G
L
G
R
R
V
S
E
-
F
R
E
A
L
A
-
S
V
R
C
E
-
A
R
T
S
-
S
-
A
S
A
A
A
A
H
L
V
D
G
N
R
D
T
F
W
R
-
P
D
A
D
D
-
A
A
P
A
I
T
L
T
L
P
Q
P
T
T
--
I
N
A
I
V
I
E
E
A
I
E
H
G
Q
R
I
E
H
L
R
V
T
G
A
L
P
D
-
G
T
-
E
---
R
V
L
-------
G
Q
--------
A
---
G
---
T
V
G
Y
R
R
I
L
R
F
D
D
V
E
V
S
S
V
T
L
H
V
D
G
S
R
L
A
P
M
I
S
R
A
A
A
V
R
--------------------------------------------------------------------------------------------------------------------------------------------
53
HHSearch
72.84
36%
9
- C2 -
-
4ZRX
7
?
A:
[26-580]
----------------------------
M
A
A
R
L
V
P
T
P
Q
Q
Y
A
W
Q
Q
M
E
L
T
A
F
L
H
F
G
I
N
T
F
--
T
G
-
R
-
E
W
G
D
G
K
------
E
D
P
A
L
F
N
P
S
E
L
D
A
E
Q
W
V
R
T
L
K
E
A
G
F
K
M
V
L
L
T
A
K
H
H
D
G
F
C
L
W
P
T
A
T
T
K
H
S
V
A
S
S
P
W
K
N
G
Q
G
D
V
V
K
E
L
R
A
A
C
D
K
Y
D
M
K
F
G
V
Y
L
S
-
P
W
D
R
N
---
A
E
C
Y
------------
G
--
D
S
P
------
R
Y
N
D
F
F
I
R
Q
L
T
E
L
L
T
N
-----
Y
G
E
V
H
E
V
---
W
F
D
G
A
N
G
-----
E
G
--
P
NG----------
K
K
Q
V
-------
Y
D
-
W
D
A
F
Y
Q
T
I
Q
R
L
Q
P
K
A
V
M
A
-
I
-----
M
G
----
D
----
D
V
R
W
V
G
N
E
K
G
V
G
R
E
T
E
W
N
A
T
------------
V
L
T
P
----
G
I-----
Y
--
A
R
S
Q
E
N
N
K
---
R
--
L
-
G
V
-------------
F
---
S
KA
E
DLGSRKI
L
E
K
A
T
E
L
F
W
Y
P
------------------------
S
E
V
D
V
S
I
R
-----
P
G
-----
W
F
Y
H
--
A
E
E
DG
K
V
--
K
--
S
L
K
H
L
S
D
I
Y
F
Q
S
V
G
Y
N
S
V
L
L
L
N
I
P
P
D
R
R
G
L
I
H
E
A
D
I
K
R
L
K
E
F
A
D
Y
R
Q
Q
T
F
A
D
N
R
V
K
N
------------------------
G
R
K
Y
W
S
-
T
T
S
----
G
G
E
A
V
Y
A
L
K
S
K
S
E
--
I
N
L
V
M
L
Q
E
D
I
T
K
G
Q
R
V
E
A
F
T
V
E
A
L
T
-
D
-
N
G
-
W
---
K
E
V
-------
G
K
--------
G
---
T
---
T
I
G
Y
K
R
M
L
R
F
P
A
V
N
A
N
K
L
R
V
R
I
D
E
C
R
L
T
A
Y
V
S
Q
V
A
A
Y
Y
A
E
P
L
Q
E
E
T
T
K
E
------------
D
W
N
N
L
P
R
S
G
W
K
Q
V
A
A
SPLTIDLG
K
T
V
T
L
S
S
F
T
Y
A
P
S
K
A
E
----
V
K
P
T
M
A
F
R
Y
Q
F
F
V
S
M
D
G
K
S
W
K
E
V
P
A
S
G
E
F
S
N
I
M
H
N
P
L
P
Q
T
---
V
A
F
S
Q
K
V
Q
A
R
F
I
K
L
E
A
T
T
P
D
A
T
V
A
K
V
N
M
N
E
I
52
HHSearch
72.77
33%
1
- C2 -
-
5K9H
8
?
A:
[33-581]
----------------------------
E
P
C
G
P
V
P
T
E
N
Q
L
R
W
Q
D
M
E
M
Y
A
F
I
H
Y
S
L
N
T
Y
--
T
D
-
E
-
E
W
G
Y
G
N
------
E
D
P
Q
L
F
N
P
S
S
L
D
C
R
Q
W
A
R
V
C
K
Q
A
G
M
R
G
I
I
F
T
A
K
H
H
C
G
F
C
M
W
P
S
A
Y
T
E
Y
S
V
K
N
S
P
W
K
N
G
K
G
D
V
V
R
E
L
A
D
A
C
R
E
E
G
L
K
F
A
V
Y
L
S
-
P
W
D
R
N
---
H
P
A
Y
------------
G
---
Q
P
------
A
Y
V
A
Y
F
R
N
Q
L
R
E
L
L
T
N
-----
Y
G
E
I
F
E
V
---
W
F
D
G
A
N
G
-----
G
D
--
G
WYGGAN
E
T
R
K
I
D
R
T
T
Y
-------
Y
Q
-
W
P
E
T
Y
K
M
I
R
Q
L
Q
P
N
C
L
I
W
-
N
----
D
G
S
DR--
G
----
D
L
R
W
V
G
T
E
A
G
N
V
G
E
T
N
W
S
L
L
------------
N
H
D
G
----
E
------
V
----------------
E
-
W
H
-------------
M
---
L
--
H
-------
Y
G
L
E
N
G
D
S
W
V
P
------------------------
G
E
T
N
T
S
I
R
-----
P
G
-----
W
F
Y
H
--
D
T
E
NE
H
V
--
K
--
S
L
S
K
L
M
D
T
Y
Y
K
S
V
G
R
N
S
T
L
L
L
N
F
P
I
A
P
N
G
R
I
H
P
N
D
S
L
R
G
I
A
F
K
K
M
I
G
E
V
F
R
K
N
L
A
E
K
A
R
T
Q
-
T
-------------------------------
K
G
D
E
T
V
I
D
F
G
K
P
T
T
--
F
N
R
F
L
A
E
E
D
I
R
Y
G
Q
R
V
K
K
F
L
L
E
A
E
I
-
N
-
G
Q
-
W
---
Q
Q
L
-------
K
D
ALVENGDG
L
---
T
---
T
I
G
H
R
R
I
I
C
F
P
T
V
N
A
T
K
L
R
F
T
V
V
N
T
K
C
E
P
F
I
K
K
L
G
V
Y
L
A
P
E
L
T
A
D
I
P
D
A
G
--------
E
K
K
--
S
S
N
L
H
L
F
F
S
S
P
T
Q
M
M
I
D
W
ETE--
Q
T
I
T
S
F
R
Y
L
P
P
Q
E
S
KDGT
V
T
H
Y
T
L
-----
W
A
S
T
D
W
S
N
W
T
K
-
L
A
S
G
E
F
S
N
V
V
N
N
P
---
I
W
Q
T
I
K
F
Q
-
P
V
R
A
K
I
L
K
L
D
A
D
R
L
A
T
G
-
N
R
M
A
Y
G
D
V
70
Fugue
71.57
35%
11
- C2 -
-
3EYP
4
?
A:
[2-460]
--------------------------
S
L
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
--
E
E
-
Y
V
N
E
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
---
E
H
L
S
------------
P
L
Y
T
T
E
------
R
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
D
-----
Y
G
K
I
W
E
T
---
W
W
D
G
A
G
A
-----
D
E
--
L
------------
T
--
T
-------
P
V
-
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
TKNS
Y
P
F
----
A
----
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
A
T
T
------------
D
S
V
A
----
I
------
R
--
D
-----
E
----
A
--
Q
Y
Y
K
-------------
G
---
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
--
D
S
RV
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
A
T
N
V
R
-
G
-
A
K
Y
S
P
E
K
M
L
D
N
E
K
N
T
Y
F
A
G
K
D
G
-
E
-
V
K
A
D
I
I
F
T
L
P
K
T
I
E
--
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
-
G
K
N
W
---
I
T
I
-------
P
E
--------
A
---
T
DKQ
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
Q
S
P
V
F
---------------------------------------------------------------------------------------------------------------------------------------
54
HHSearch
70.05
35%
17
- C2 -
-
3EYP
4
?
B:
[4-460]
----------------------------
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
--
E
E
Y
V
-
N
E
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
---
E
H
L
S
------------
P
L
Y
T
T
E
------
R
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
D
-----
Y
G
K
I
W
E
T
---
W
W
D
G
A
G
A
-----
D
E
----------------
L
T
T
-------
P
V
-
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
----
T
K
N
SYPF
A
----
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
A
T
T
------------
D
S
V
A
----
I
------
R
D-
E
-----
A
----
Q
--
Y
-
Y
K
-------------
G
---
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
DS
R
V
--
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
-
A
T
N
V
-
R
G
A
K
Y
S
P
E
K
M
L
D
N
E
K
N
T
Y
F
A
-
G
K
D
-
G
E
V
K
A
D
I
I
F
T
L
P
K
T
I
E
--
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
G
K
N
-
W
---
I
T
I
-------
P
E
--------
A
TDK
Q
---
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
Q
S
P
V
F
---------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
67.72
36%
42
- C2 -
-
4OZO
3
?
A:
[3-455]
---------------------------
L
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
EE
Y
V
-
N
-
E
-
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
E
H
L
S
P
L
Y
------------
T
T
E
R
---------
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
-----
D
Y
G
K
I
W
E
T
---
W
W
D
G
A
--------
G
--
A
------------
D
E
L
T
-------
T
P
V
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
----
T
K
N
----
S
YPFA
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
--
A
------------
T
T
D
S
----
V
------
A
--
I
-----
R
----
D
--
E
-
A
Q
-------------
Y
Y
K
G
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
--
D
S
RV
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
-
A
T
N
V
R
G
-
A
K
Y
S
P
E
K
M
L
D
N
-
E
K
N
T
Y
F
-
A
G
K
-
D
-
G
E
V
K
A
D
I
I
F
T
L
P
K
T
I
E
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
-
G
K
N
W
I
T
I
P
E
A
-------
T
D
--------
K
---
Q
---
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
--------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
67.70
36%
40
- C2 -
-
4OUE
3
?
A:
[3-455]
---------------------------
L
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
EE
Y
V
-
N
-
E
-
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
E
H
L
S
P
L
Y
------------
T
T
E
R
---------
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
-----
D
Y
G
K
I
W
E
T
---
W
W
D
G
A
--------
G
--
A
------------
D
E
L
T
-------
T
P
V
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
----
T
K
N
----
S
YPFA
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
--
A
------------
T
T
D
S
----
V
------
A
--
I
-----
R
----
D
--
E
-
A
Q
-------------
Y
Y
K
G
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
--
D
S
RV
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
-
A
T
N
V
R
G
-
A
K
Y
S
P
E
K
M
L
D
N
-
E
K
N
T
Y
F
-
A
G
K
-
D
-
G
E
V
K
A
D
I
I
F
T
L
P
K
T
I
E
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
-
G
K
N
W
I
T
I
P
E
A
-------
T
D
--------
K
---
Q
---
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
--------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
67.67
39%
3
* C2 *
-
4ZRX
6
?
A:
[31-458]
---------------------------------
V
P
T
P
Q
Q
Y
A
W
Q
Q
M
E
L
T
A
F
L
H
F
G
I
N
T
F
--
T
G
-
R
-
E
W
G
D
G
K
------
E
D
P
A
L
F
N
P
S
E
L
D
A
E
Q
W
V
R
T
L
K
E
A
G
F
K
M
V
L
L
T
A
K
H
H
D
G
F
C
L
W
P
T
A
T
T
K
H
S
V
A
S
S
P
W
K
N
G
Q
G
D
V
V
K
E
L
R
A
A
C
D
K
Y
D
M
K
F
G
V
Y
L
S
-
P
W
D
R
N
---
A
E
C
Y
--------------
G
D
S
P
------
R
Y
N
D
F
F
I
R
Q
L
T
E
L
L
T
N
-----
Y
G
E
V
H
E
V
---
W
F
D
G
A
N
G
-----
E
G
PN
G
------------
K
K
Q
V
-------
Y
D
-
W
D
A
F
Y
Q
T
I
Q
R
L
Q
P
K
A
-
V
M
-
A
----
I
M
G
----
D
----
D
V
R
W
V
G
N
E
K
G
V
G
R
E
T
E
W
N
A
T
VLTPGIYAR
S
Q
E
N
N
K
R
----
L
------
G
VF
S
-----
K
----
A
--
E
D
L
G
-------------
S
---
R
--
K
-------
I
L
E
K
A
T
E
L
F
W
Y
P
-----------------------
S
E
V
D
V
S
I
R
-----
P
G
-----
W
F
Y
H
AE
E
D
G
--
K
V
--
K
--
S
L
K
H
L
S
D
I
Y
F
Q
S
V
G
Y
N
S
V
L
L
L
N
I
P
P
D
R
R
G
L
I
H
E
A
D
I
K
R
L
K
E
F
A
D
Y
R
Q
Q
T
F
A
D
N
----------------------
R
V
K
N
G
R
K
Y
W
S
T
T
-
S
G
G
-
E
-
A
V
Y
A
L
K
----
S
K
S
E
--
I
N
L
V
M
L
Q
E
D
I
T
K
G
Q
R
V
E
A
F
T
V
E
A
L
T
-
D
-
N
G
-
W
---
K
E
V
-------
G
K
--------
G
---
T
---
T
I
G
Y
K
R
M
L
R
F
P
A
V
N
A
N
K
L
R
V
R
I
D
E
C
R
L
T
A
Y
V
S
Q
V
A
A
Y
---------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
67.56
36%
39
- C2 -
-
4OUE
3
?
B:
[3-455]
---------------------------
L
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
EE
Y
V
-
N
-
E
-
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
EHL
S
P
L
Y
------------
T
T
E
R
---------
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
-----
D
Y
G
K
I
W
E
T
---
W
W
D
G
A
--------
G
--
A
------------
D
E
L
T
-------
T
P
V
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
----
T
K
N
----
S
YPFA
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
--
A
------------
T
T
D
S
----
V
------
A
--
I
-----
R
----
D
--
E
-
A
Q
-------------
Y
YKG
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
--
D
S
RV
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
-
A
T
N
V
R
G
-
A
K
Y
S
P
E
K
M
L
D
N
-
E
K
N
T
Y
F
-
A
G
K
-
D
-
G
E
V
K
A
D
I
I
F
T
L
P
K
T
IE
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
-
G
K
N
W
ITI
P
E
A
-------
T
D
--------
K
---
Q
---
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
--------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
67.53
36%
41
- C2 -
-
4OZO
3
?
B:
[3-455]
---------------------------
L
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
EE
Y
V
-
N
-
E
-
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
EHL
S
P
L
Y
------------
T
T
E
R
---------
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
-----
D
Y
G
K
I
W
E
T
---
W
W
D
G
A
--------
G
--
A
------------
D
E
L
T
-------
T
P
V
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
----
T
K
N
----
S
YPFA
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
--
A
------------
T
T
D
S
----
V
------
A
--
I
-----
R
----
D
--
E
-
A
Q
-------------
Y
YKG
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
--
D
S
RV
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
-
A
T
N
V
R
G
-
A
K
Y
S
P
E
K
M
L
D
N
-
E
K
N
T
Y
F
-
A
G
K
-
D
-
G
E
V
K
A
D
I
I
F
T
L
P
K
T
IE
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
-
G
K
N
W
ITI
P
E
A
-------
T
D
--------
K
---
Q
---
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
--------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
67.48
36%
39
- C2 -
-
3EYP
4
?
B:
[3-455]
---------------------------
L
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
EE
Y
V
-
N
-
E
-
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
EHL
S
P
L
Y
------------
T
T
E
R
---------
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
-----
D
Y
G
K
I
W
E
T
---
W
W
D
G
A
--------
G
--
A
------------
D
E
L
T
-------
T
P
V
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
----
T
K
N
----
S
YPFA
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
--
A
------------
T
T
D
S
----
V
------
A
--
I
-----
R
----
D
--
E
-
A
Q
-------------
Y
YKG
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
--
D
S
RV
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
-
A
T
N
V
R
G
-
A
K
Y
S
P
E
K
M
L
D
N
-
E
K
N
T
Y
F
-
A
G
K
-
D
-
G
E
V
K
A
D
I
I
F
T
L
P
K
T
IE
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
-
G
K
N
W
ITI
P
E
A
-------
T
D
--------
K
---
Q
---
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
--------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
66.89
36%
41
- C2 -
-
3EYP
4
?
A:
[3-455]
---------------------------
L
A
P
C
G
L
V
P
S
A
R
Q
L
E
W
Y
N
R
E
M
I
A
F
F
H
F
G
I
N
T
F
EE
Y
V
-
N
-
E
-
G
D
G
K
------
A
S
T
A
I
F
N
P
T
A
L
D
C
R
Q
W
M
Q
T
L
K
A
A
G
I
P
A
A
I
L
T
A
K
H
A
D
G
F
C
L
W
P
S
K
Y
T
D
Y
S
V
K
N
A
A
W
K
N
G
K
G
D
V
V
R
E
F
V
D
A
C
E
E
Y
G
L
K
A
G
I
Y
L
G
-
P
H
D
R
H
E
H
L
S
P
L
Y
------------
T
T
E
R
---------
Y
K
E
Y
Y
A
H
Q
L
G
E
L
M
S
-----
D
Y
G
K
I
W
E
T
---
W
W
D
G
A
--------
G
--
A
------------
D
E
L
T
-------
T
P
V
Y
R
H
W
Y
K
I
V
R
E
K
Q
P
D
C
V
I
F
-
G
----
T
K
N
----
S
YPFA
D
V
R
W
M
G
N
E
A
G
E
A
G
D
P
C
W
--
A
------------
T
T
D
S
----
V
------
A
--
I
-----
R
----
D
--
E
-
A
Q
-------------
Y
Y
K
G
L
--
N
-------
E
G
M
L
D
G
D
A
Y
I
P
------------------------
A
E
T
D
V
S
I
R
-----
P
S
-----
W
F
Y
H
--
A
E
E
--
D
S
RV
K
--
S
V
R
E
L
W
D
I
Y
C
T
S
V
G
R
N
S
V
L
L
L
N
F
P
P
D
R
R
G
L
I
H
S
T
D
S
L
H
A
A
L
L
K
Q
G
I
D
E
T
F
S
T
N
L
L
R
G
A
K
V
K
-
A
T
N
V
R
G
-
A
K
Y
S
P
E
K
M
L
D
N
-
E
K
N
T
Y
F
-
A
G
K
-
D
-
G
E
V
K
A
D
I
I
F
T
L
P
K
T
I
E
F
D
C
L
M
I
E
E
V
I
E
L
G
H
R
T
T
K
W
S
V
E
Y
T
V
-
D
-
G
K
N
W
I
T
I
P
E
A
-------
T
D
--------
K
---
Q
---
A
I
G
H
K
W
I
V
R
L
A
P
V
K
A
K
Q
V
R
L
R
I
Q
D
G
K
A
C
P
A
I
H
T
F
G
V
Y
K
--------------------------------------------------------------------------------------------------------------------------------------------
51
HHSearch
61.68
28%
29
- C2 -
-
3GZA
6
?
A:
[6-442]
------------------------------
E
L
P
V
P
K
P
H
Q
L
K
W
H
E
A
E
M
G
A
V
F
H
Y
D
L
H
V
F
--
D
G
-
I
-
R
Y
G
Q
G
N
N
R
I
NPI
E
D
Y
N
I
F
N
P
T
E
L
N
T
D
Q
W
V
Q
A
A
K
A
A
G
C
K
F
A
V
L
T
A
T
H
E
T
G
F
G
L
W
Q
S
D
V
N
P
Y
C
L
K
A
V
K
W
R
D
G
K
G
D
I
V
R
D
F
V
N
S
C
R
K
Y
G
L
Q
P
G
I
Y
I
G
-
I
-
R
W
N
---
S
L
L
G
IHNFKAEGEG
A
F
A
R
N
R
Q
A
------
W
Y
K
R
L
C
E
K
M
V
T
E
L
C
T
R
-----
Y
G
D
L
Y
M
I
---
W
F
D
G
G
A
D
-----
D
------------------
P
R
-------
A
D
-
G
P
D
V
E
P
I
V
N
K
Y
Q
P
N
C
L
F
Y
-
H
----
N
I
D
R---
A
----
D
F
R
W
G
G
S
E
T
G
T
V
E
Y
P
C
W
S
T
F
------------
P
V
P
C
----
S
------
H
--
H
-----
K
RIES
S
ID
Q
-
L
E
-------------
L
---
L
--
K
-------
H
G
D
K
N
G
R
Y
W
V
P
------------------------
A
M
A
D
T
P
L
R
GANGR
H
E
-----
W
F
W
E
--
P
D
D
EN
N
I
--
Y
--
P
L
N
T
L
M
D
K
Y
E
K
S
V
G
R
N
A
T
L
I
L
G
L
T
P
D
P
T
G
L
I
P
A
G
D
A
Q
R
L
K
E
M
G
D
E
I
N
R
R
F
S
S
P
I
A
R
I
S
---------------------
G
--------------
Q
K
K
S
L
T
L
K
L
G
K
E
Q
S
--
V
N
Y
C
I
I
Q
E
N
I
K
N
G
E
R
I
R
Q
Y
Q
I
E
A
K
V
-
N
-
G
K
-
W
---
Q
T
V
-------
C
K
--------
G
---
E
---
S
V
G
H
K
R
I
E
K
F
E
P
V
E
A
T
A
L
R
L
T
V
S
E
S
I
A
L
P
D
I
I
N
F
S
A
Y
S
V
-------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
60.33
25%
37
- C2 -
-
3GZA
6
?
A:
[8-440]
--------------------------------
P
V
P
K
P
H
Q
L
K
W
H
E
A
E
M
G
A
V
F
H
Y
D
L
H
V
F
--
D
G
-
I
-
R
Y
G
Q
G
N
N
R
I
NPI
E
D
Y
N
I
F
N
P
T
E
L
N
T
D
Q
W
V
Q
A
A
K
A
A
G
C
K
F
A
V
L
T
A
T
H
E
T
G
F
G
L
W
Q
S
D
V
N
P
Y
C
L
K
A
V
K
W
R
D
G
K
G
D
I
V
R
D
F
V
N
S
C
R
K
Y
G
L
Q
P
G
I
Y
I
G
I
R
W
N
S
L
---
L
G
I
H
------------
N
F
K
A
E
G
EG
A
F
A
R
N
R
Q
A
W
Y
-
K
R
L
C
E
K
M
V
T
E
L
C
T
R
Y
G
D
L
Y
M
I
---
W
F
D
G
---------
G
--
A
------------
D
D
P
R
-------
A
D
-
G
P
D
V
E
P
I
V
N
K
Y
Q
P
N
C
L
F
Y
H
N
----
I
D
R
----
A
----
D
F
R
W
G
G
S
E
T
G
T
V
E
Y
P
C
W
S
T
F
------------
P
V
P
C
----
S
HHKRIE
S
--
S
-----
I
----
D
--
Q
-
L
E
-------------
L
---
L
--
K
-------
H
G
D
K
N
G
R
Y
W
V
P
------------------------
A
M
A
D
T
P
L
R
-----
G
A
NGRHE
W
F
W
E
--
P
D
D
--
E
N
--
N
IY
P
L
N
T
L
M
D
K
Y
E
K
S
V
G
R
N
A
T
L
I
L
G
L
T
P
D
P
T
G
L
I
P
A
G
D
A
Q
R
L
K
E
M
G
D
E
I
N
R
R
F
S
S
P
I
---
A
R
I
S
-
G
Q
K
K
-
S
------------------------------
L
T
L
K
L
G
K
E
Q
S
--
V
N
Y
C
I
I
Q
E
N
I
K
N
G
E
R
I
R
Q
Y
Q
I
E
A
K
V
-
N
-
G
K
-
W
---
Q
T
V
-------
C
K
--------
G
---
E
---
S
V
G
H
K
R
I
E
K
F
E
P
V
E
A
T
A
L
R
L
T
V
S
E
S
I
A
L
P
D
I
I
N
F
S
A
Y
---------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
45.25
29%
-84
- C2 -
-
4JFU
5
?
A:
[71-204]
--------------------------------------------------------------------------------
D
Q
W
N
P
T
K
F
D
A
K
K
W
A
K
M
A
K
E
M
G
T
K
Y
V
K
I
T
T
K
H
H
E
G
F
C
L
W
P
S
K
Y
T
K
Y
T
V
A
N
T
P
Y
K
R
---
D
I
L
G
E
L
V
K
A
Y
N
D
E
G
I
D
V
H
F
Y
F
S
-
V
M
D
W
S
---
N
P
D
Y
------------
R
Y
D
I
K
S
------
K
E
D
S
I
A
F
S
R
F
L
E
F
T
D
N
Q
L
K
E
L
A
T
R
Y
P
T
V
K
D
F
W
F
D
G
T
W
D
-----
A
S
--
V
------------
K
K
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------