@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 : PA0074: (2015-12-20 )
MDIELPGFDIERELGEGAMATVYLATQRSLQRKVALKVMAAALAADPSFAERFLREGRTLARLSHPNTVTIHDIGNVGSCYYMAMEYLPNGTLKERIQQGLDPEQGLAYVRQVAAALGYAHSQGLVHRDVKPANILFRADGTAVLSDFGIAKSIEDNTQFTQVGFAVGTPSYMSPEQARGQEIDGRADLYALGVVLYEILTGKLPYNGKDSLSTALAHLTEPLPELPIEQGRYQDILRQLLAKDPAERFPTAGALIAALDRLAPSALEATQIRPLATPQGSPRASNPPPAEPAPLPPADLGGLQPVSIQLPPVTPSAGGATPPPPPPSQAAKPPSPPPPPLPPAKPRAGGSRTPLIAAAAAAVLLAIGGGAWWLLGSGDAPSAADPAPLGQTPADKPQQQTPVADAEQDGGERPLLMPGKKTLFQRVLTKPGAAISAEAGGPPRAGAVPAFSVLYVYARKQVGGSPWLRVGASSNGEGDGWLPASAVSDWKQSLVLKFTERSGRAPVMFLNSAEQVERLLGDTRAARDTLTQAVDHKGDPQVVAVEPNDRAIPQDQFYLLPIFDSKESFDADGQPAQLLEVASIDPGGSAAAPQAPGQAGQGGASGAASDTFRTGIVLVVDTSVSMQPYIDRVREVIDGLQRQIGERGDLDKVSFGLVGFRNNTDKTPGLEYVSKTLVPLQPGNDAQRFAELSSQVRATDVSSHSFNEDAFAGIMQAVDEMDWSPYAGRVVLLVTDAGALRKNDPLGRTQMNEAEVRQAALRKGVKIYALHLRTPAGKNNHGYAEQQYRSLTADANPKIADLYIPVAGGEVNAFGNTVKEIGTVFADLVHDAGNRKPQAPRFDAAPSVASKSAAIGYAMQMEFLGRRDPVRAPQVVTAWTADRDLTNPALPAFQVCVLLSKLQLNELQQSLKLIVDAAKRTQTSPKDFFQEIASASAYMSRDPAQLVKGSNLAQSGVLGEYLEGLPYRSKSLNMTQDLWLSLSVAEQQDFIDELESKIRLYETFHNDVANWVRFGDADAGDALYRVPLSTLP
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.......590.......600.......610.......620.......630.......640.......650.......660.......670.......680.......690.......700.......710.......720.......730.......740.......750.......760.......770.......780.......790.......800.......810.......820.......830.......840.......850.......860.......870.......880.......890.......900.......910.......920.......930.......940.......950.......960.......970.......980.......990.......1000......1010......1020......1030
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MDIELPGF
D
I
E
R
E
LGEG
A
M
A
T
V
Y
L
A
T
Q
R
S
L
Q
R
K
V
A
L
K
V
M
A
A
A
LAA
D
P
S
F
A
E
R
F
L
REG
R
T
L
A
RLSHP
N
T
V
T
I
H
DIGNV----
G
S
C
Y
Y
M
A
M
E
YLPN
G
T
L
K
E
R
I
Q
QG--L
D
P
E
Q
G
L
A
--
Y
V
----
R
Q
V
A
A
A
LGYAHSQGLVHRDVKP
A
N
I
L
F
R---ADG
T
A
V
L
S
DFGIAKSIEDNT
Q
F
T
Q
V
G
F
AVGTPSYM
S
P
E
QARGQEIDGR
A
D
L
Y
A
L
G
V
V
L
Y
E
I
L
TGKLPYNG
K
D
S
L
S
T
A
L
A
H
L
TE-PLPELP------IE----QG
R
Y
Q
D
---
I
L
R
Q
L
L
AKD
P
A
E
RFPTA
G
A
L
I
A
A
L
D
R
LAPSALEATQIRPLATPQGSPRASNPPPAEPAPLPPADLGGL
Q
P
V
S
I
QLPPVTPSAGGATPPPPPPSQAAKPPSPPPPPLPPAKPRAGGSRTP
L
I
A
A
A
A
A
A
V
L
L
A
IGG
G
A
W
W
L
LGSGDAPSAADPAPLGQTPADKPQQQTPVADAEQDGGER
P
L
LMP
G
K
K
T
L
F
Q
R
V
LTKPG
A
A
I
SAEAGGPPRAGA
V
P
A
F
S
V
L
Y
V
Y
A
R
K
QVGGSP
W
L
R
VGASSNGEGDGWL
P
A
S
A
V
S
D
W
K
Q
S
L
V
L
K
F
TERSGRA
P
V
M
F
LN
S
A
E
Q
V
E
R
L
LGD
T
R
A
A
R
D
T
L
T
Q
A
VDHKGDP
Q
V
V
A
VEPNDRAIPQD
Q
F
Y
L
L
P
I
FDSKESFDADGQP
A
Q
L
L
E
V
A
SIDPGGSAAAPQAPGQAGQGGASGAASDTFRT
G
I
V
L
V
VDTSVSM
Q
P
Y
I
D
R
V
R
E
V
I
D
G
L
Q
R
Q
IGERGDL
D
K
V
S
F
G
L
V
GFRNNTDKTP
G
L
E
Y
V
S
K
T
L
V
PLQPG
N
D
A
Q
R
F
A
E
L
S
S
Q
VRATDVSSHSF
N
E
D
A
F
A
G
I
M
Q
A
V
D
EMDWSPYA
G
R
V
V
L
L
VTDAGALRKNDPLGRTQM
N
E
A
E
V
R
Q
A
A
L
RKG
V
K
I
Y
A
L
H
L
RTPAGKNNHG
Y
A
E
Q
Q
Y
R
S
LTADANP
K
I
A
D
L
Y
I
PVAGGE
V
N
A
F
G
N
T
V
K
E
I
G
T
V
F
A
D
L
V
H
DAGNRKPQAPRFDAAPSVASKS
A
A
I
G
Y
A
M
Q
M
E
F
LGRRDPVRAP
Q
V
V
T
A
WTADRDLTNP
A
L
P
A
F
Q
V
C
V
L
L
S
K
L
Q
L
N
E
L
Q
Q
S
L
K
L
I
V
D
A
A
K
RTQT
S
P
K
D
F
F
Q
E
I
A
S
A
S
A
YMSR
D
P
A
Q
L
VKGSNLAQSG
V
L
G
E
Y
L
EGLPYRSKSLNM
T
Q
D
L
W
L
S
L
S
V
A
E
Q
Q
D
F
I
D
E
L
E
S
K
I
R
L
Y
E
T
F
H
N
D
V
A
N
W
V
RFGDADAGD
A
L
Y
RVPLSTLP
8
PsiBlast_PDB
75.69
39%
-88
- C2 -
3F61
5
PKNB_MYCTU
A:
[14-279]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
D
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
------------------
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
D
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
G
E
P
P
E
A
P
K
V
L
T
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
75.35
39%
-89
- C2 -
2FUM
1
PKNB_MYCTU
C:
[31-296]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
L
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
ETPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
---------------------
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
74.62
39%
-83
- C2 -
1O6Y
3
PKNB_MYCTU
A:
[31-296]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
L
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
R
A
I
A
---------------
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
73.66
39%
-87
- C2 -
3ORK
3
?
A:
[14-279]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
D
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
-----------------
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
G
E
P
P
E
A
P
K
V
L
T
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
72.70
39%
-79
- C2 -
2FUM
1
PKNB_MYCTU
A:
[31-296]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
L
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
ETPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
R
A
I
A
D
-----------
G
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
72.31
39%
-86
- C2 -
3ORM
2
?
A:
[14-279]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
L
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
A
T
G
E
A
ETPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
R
A
I
A
-------------
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
G
E
P
P
E
A
P
K
V
L
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
69.90
39%
-76
- C2 -
3ORO
2
?
A:
[14-279]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
D
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
ETPA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
R
A
I
A
-------
T
A
A
V
I
G
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
G
E
P
P
E
A
P
K
V
L
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
69.23
39%
-79
- C2 -
3ORT
2
?
A:
[14-279]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
D
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
R
-----------------
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
G
E
P
P
E
A
P
K
V
L
T
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
68.91
39%
-80
- C2 -
3ORP
1
?
A:
[14-279]
-------
Y
E
L
G
E
I
L
G
F
G
G
M
S
E
V
H
L
A
R
D
L
R
D
H
R
D
V
A
V
K
V
L
R
A
D
L
A
R
D
P
S
F
Y
L
R
F
R
R
E
A
Q
N
A
A
A
L
N
H
P
A
I
V
A
V
Y
D
T
G
E
A
E
T
PA
G
P
L
P
Y
I
V
M
E
Y
V
D
G
V
T
L
R
D
I
V
H
T
E
GP
M
T
P
K
R
A
I
E
--
V
I
----
A
D
A
C
Q
A
L
N
F
S
H
Q
N
G
I
I
H
R
D
V
K
P
A
N
I
M
I
S
---
A
T
N
A
V
K
V
M
D
F
G
I
A
---------------
I
G
T
A
Q
Y
L
S
P
E
Q
A
R
G
D
S
V
D
A
R
S
D
V
Y
S
L
G
C
V
L
Y
E
V
L
T
G
E
P
P
F
T
G
D
S
P
V
S
V
A
Y
Q
H
V
R
E
D
P
I
P
P
S
A
------
R
H
----
E
G
L
S
A
D
L
D
A
V
V
L
K
A
L
A
K
N
P
E
N
R
Y
Q
T
A
A
E
M
R
A
D
L
V
R
V
H
N
G
E
P
P
E
A
P
K
V
L
T
D
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
PsiBlast_CBE
64.92
37%
-74
- C2 -
4EQM
2
?
B:
[13-262]
-------
Y
K
I
V
D
K
L
G
G
G
G
M
S
T
V
Y
L
A
E
D
T
I
L
N
I
K
V
A
I
K
A
I
F
I
P
P
R
E
K
E
E
T
L
K
R
F
E
R
E
V
H
N
S
S
Q
L
S
H
Q
N
I
V
S
M
I
D
V
D
E
E
----
D
D
C
Y
Y
L
V
M
E
Y
I
E
G
P
T
L
S
E
Y
I
E
S
H
GP
L
S
V
D
T
A
I
N
--
F
T
----
N
Q
I
L
D
G
I
K
H
A
H
D
M
R
I
V
H
R
D
I
K
P
Q
N
I
L
I
D
---
S
N
K
T
L
K
I
F
D
F
G
I
A
K
A
L
--------------
T
V
Q
Y
F
S
P
E
Q
A
K
G
E
A
T
D
E
C
T
D
I
Y
S
I
G
I
V
L
Y
E
M
L
V
G
E
P
P
F
N
G
E
T
A
V
S
I
A
I
K
H
I
Q
D
-
S
V
P
N
V
T
TDVRKD
I
P
----
Q
S
L
S
N
V
---
I
L
R
A
-
T
E
K
D
K
A
N
R
Y
K
T
I
Q
E
M
K
D
D
L
S
S
V
L
H
E
N
R
A
N
E
D
V
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
25
PsiBlast_CBE
64.12
37%
-73
- C2 -
4EQM
2
?
C:
[13-262]
-------
Y
K
I
V
D
K
L
G
G
G
G
M
S
T
V
Y
L
A
E
D
T
I
L
N
I
K
V
A
I
K
A
I
F
I
P
P
R
E
K
E
E
T
L
K
R
F
E
R
E
V
H
N
S
S
Q
L
S
H
Q
N
I
V
S
M
I
D
V
D
E
E
----
D
D
C
Y
Y
L
V
M
E
Y
I
E
G
P
T
L
S
E
Y
I
E
S
H
GP
L
S
V
D
T
A
I
N
--
F
T
----
N
Q
I
L
D
G
I
K
H
A
H
D
M
R
I
V
H
R
D
I
K
P
Q
N
I
L
I
D
---
S
N
K
T
L
K
I
F
D
F
G
I
A
K
A
L
--------------
T
V
Q
Y
F
S
P
E
Q
A
K
G
E
A
T
D
E
C
T
D
I
Y
S
I
G
I
V
L
Y
E
M
L
V
G
E
P
P
F
N
G
E
T
A
V
S
I
A
I
K
H
I
Q
D
-
S
V
P
N
V
T
TDVRKD
I
P
----
Q
S
L
S
N
V
---
I
L
R
A
-
T
E
K
D
K
A
N
R
Y
K
T
I
Q
E
M
K
D
D
L
S
S
V
L
H
E
N
R
A
N
E
D
V
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
63.41
37%
-73
- C2 -
4EQM
2
?
A:
[13-262]
-------
Y
K
I
V
D
K
L
G
G
G
G
M
S
T
V
Y
L
A
E
D
T
I
L
N
I
K
V
A
I
K
A
I
F
I
P
P
R
E
K
E
E
T
L
K
R
F
E
R
E
V
H
N
S
S
Q
L
S
H
Q
N
I
V
S
M
I
D
V
D
E
E
----
D
D
C
Y
Y
L
V
M
E
Y
I
E
G
P
T
L
S
E
Y
I
E
S
H
GP
L
S
V
D
T
A
I
N
--
F
T
----
N
Q
I
L
D
G
I
K
H
A
H
D
M
R
I
V
H
R
D
I
K
P
Q
N
I
L
I
D
---
S
N
K
T
L
K
I
F
D
F
G
I
A
K
A
L
--------------
T
V
Q
Y
F
S
P
E
Q
A
K
G
E
A
T
D
E
C
T
D
I
Y
S
I
G
I
V
L
Y
E
M
L
V
G
E
P
P
F
N
G
E
T
A
V
S
I
A
I
K
H
I
Q
D
-
S
V
P
N
V
T
TDVRKD
I
P
----
Q
S
L
S
N
V
---
I
L
R
A
-
T
E
K
D
K
A
N
R
Y
K
T
I
Q
E
M
K
D
D
L
S
S
V
L
H
E
N
R
A
N
E
D
V
Y
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
63.21
37%
-68
- C2 -
4OW8
2
PKNA_MYCTU
A:
[13-265]
-------
Y
R
L
Q
R
L
I
A
T
G
G
M
G
Q
V
W
E
A
V
D
N
R
L
G
R
R
V
A
V
K
V
L
K
S
E
F
S
S
D
P
E
F
I
E
R
F
R
A
E
A
R
T
T
A
M
L
N
H
P
G
I
A
S
V
H
D
Y
G
E
S
Q----
R
T
A
Y
L
V
M
E
L
V
N
G
E
P
L
N
S
V
L
K
R
T
GR
L
S
L
R
H
A
L
D
--
M
L
----
E
Q
T
G
R
A
L
Q
I
A
H
A
A
G
L
V
H
R
D
V
K
P
G
N
I
L
I
T
---
P
T
G
Q
V
K
I
T
D
F
G
I
A
K
A
V
-
D
A
A
P
V
T
Q
T
G
M
V
M
G
T
A
Q
Y
I
A
P
E
Q
A
L
G
H
D
A
S
P
A
S
D
V
Y
S
L
G
V
V
G
Y
E
A
V
S
G
K
R
P
F
A
G
D
G
A
L
T
V
A
M
K
H
I
K
E
P
P
P
P
L
P
P
------
D
L
----
P
P
N
V
R
E
---
L
I
E
I
T
L
V
K
N
P
A
M
R
Y
R
S
G
G
P
F
A
D
A
V
A
A
V
R
A
G
R
R
P
P
R
P
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
24
PsiBlast_CBE
61.85
37%
-75
- C2 -
4EQM
1
?
D:
[13-262]
-------
Y
K
I
V
D
K
L
G
G
G
G
M
S
T
V
Y
L
A
E
D
T
I
L
N
I
K
V
A
I
K
A
I
F
I
P
P
R
E
K
E
E
T
L
K
R
F
E
R
E
V
H
N
S
S
Q
L
S
H
Q
N
I
V
S
M
I
D
V
D
E
E
----
D
D
C
Y
Y
L
V
M
E
Y
I
E
G
P
T
L
S
E
Y
I
E
S
H
GP
L
S
V
D
T
A
I
N
--
F
T
----
N
Q
I
L
D
G
I
K
H
A
H
D
M
R
I
V
H
R
D
I
K
P
Q
N
I
L
I
D
---
S
N
K
T
L
K
I
F
D
F
G
I
A
K
----------------
T
V
Q
Y
F
S
P
E
Q
A
K
G
E
A
T
D
E
C
T
D
I
Y
S
I
G
I
V
L
Y
E
M
L
V
G
E
P
P
F
N
G
E
T
A
V
S
I
A
I
K
H
I
Q
D
-
S
V
P
N
V
T
TDVRKD
I
P
----
Q
S
L
S
N
V
---
I
L
R
A
-
T
E
K
D
K
A
N
R
Y
K
T
I
Q
E
M
K
D
D
L
S
S
V
L
H
E
N
R
A
N
E
D
V
Y
E
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
61.68
37%
-72
- C2 -
4EQM
1
?
F:
[13-262]
-------
Y
K
I
V
D
K
L
G
G
G
G
M
S
T
V
Y
L
A
E
D
T
I
L
N
I
K
V
A
I
K
A
I
F
I
P
P
R
E
K
E
E
T
L
K
R
F
E
R
E
V
H
N
S
S
Q
L
S
H
Q
N
I
V
S
M
I
D
V
D
E
E
----
D
D
C
Y
Y
L
V
M
E
Y
I
E
G
P
T
L
S
E
Y
I
E
S
H
GP
L
S
V
D
T
A
I
N
--
F
T
----
N
Q
I
L
D
G
I
K
H
A
H
D
M
R
I
V
H
R
D
I
K
P
Q
N
I
L
I
D
---
S
N
K
T
L
K
I
F
D
F
G
I
A
K
----------------
T
V
Q
Y
F
S
P
E
Q
A
K
G
E
A
T
D
E
C
T
D
I
Y
S
I
G
I
V
L
Y
E
M
L
V
G
E
P
P
F
N
G
E
T
A
V
S
I
A
I
K
H
I
Q
D
-
S
V
P
N
V
T
TDVRKD
I
P
----
Q
S
L
S
N
V
---
I
L
R
A
-
T
E
K
D
K
A
N
R
Y
K
T
I
Q
E
M
K
D
D
L
S
S
V
L
H
E
N
R
A
N
E
D
V
Y
E
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
61.26
37%
-72
- C2 -
4EQM
1
?
E:
[13-262]
-------
Y
K
I
V
D
K
L
G
G
G
G
M
S
T
V
Y
L
A
E
D
T
I
L
N
I
K
V
A
I
K
A
I
F
I
P
P
R
E
K
E
E
T
L
K
R
F
E
R
E
V
H
N
S
S
Q
L
S
H
Q
N
I
V
S
M
I
D
V
D
E
E
----
D
D
C
Y
Y
L
V
M
E
Y
I
E
G
P
T
L
S
E
Y
I
E
S
H
GP
L
S
V
D
T
A
I
N
--
F
T
----
N
Q
I
L
D
G
I
K
H
A
H
D
M
R
I
V
H
R
D
I
K
P
Q
N
I
L
I
D
---
S
N
K
T
L
K
I
F
D
F
G
I
A
K
----------------
T
V
Q
Y
F
S
P
E
Q
A
K
G
E
A
T
D
E
C
T
D
I
Y
S
I
G
I
V
L
Y
E
M
L
V
G
E
P
P
F
N
G
E
T
A
V
S
I
A
I
K
H
I
Q
D
-
S
V
P
N
V
T
TDVRKD
I
P
----
Q
S
L
S
N
V
---
I
L
R
A
-
T
E
K
D
K
A
N
R
Y
K
T
I
Q
E
M
K
D
D
L
S
S
V
L
H
E
N
R
A
N
E
D
V
Y
E
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
60.47
32%
-86
- C2 -
3IS5
5
?
A:
[24-277]
-------
F
I
F
K
R
K
L
G
S
G
A
F
G
D
V
H
L
V
E
E
R
S
S
G
L
E
R
V
I
K
T
I
N
K
D
R
S
Q
V
P
--
M
E
Q
I
E
A
E
I
E
V
L
K
S
L
D
H
P
N
I
I
K
I
F
E
V
F
E
D
----
Y
H
N
M
Y
I
V
M
E
T
C
E
G
G
E
L
L
E
R
I
V
S
A
--
Q
A
R
G
K
A
L
S
E
G
Y
V
A
E
L
M
K
Q
M
M
N
A
L
A
Y
F
H
S
Q
H
V
V
H
K
D
L
K
P
E
N
I
L
F
Q
DTS
P
H
S
P
I
K
I
I
D
F
G
L
A
E
L
-------------
A
G
T
A
L
Y
M
A
P
E
V
F
K
-
R
D
V
T
F
K
C
D
I
W
S
A
G
V
V
M
Y
F
L
L
T
G
C
L
P
F
T
G
T
-
S
L
E
E
V
Q
Q
K
A
T
Y
-
K
E
P
N
Y
A
------
V
-RPL-
T
P
Q
A
V
D
---
L
L
K
Q
M
L
T
K
D
P
-
E
R
R
P
S
A
A
Q
V
L
H
H
E
W
F
K
Q
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
PsiBlast_CBE
60.17
32%
-86
- C2 -
3IS5
4
?
B:
[24-277]
-------
F
I
F
K
R
K
L
G
S
G
A
F
G
D
V
H
L
V
E
E
R
S
S
G
L
E
R
V
I
K
T
I
N
K
D
R
S
Q
V
P
--
M
E
Q
I
E
A
E
I
E
V
L
K
S
L
D
H
P
N
I
I
K
I
F
E
V
F
E
D
----
Y
H
N
M
Y
I
V
M
E
T
C
E
G
G
E
L
L
E
R
I
V
S
A
--
Q
A
R
G
K
A
L
S
E
G
Y
V
A
E
L
M
K
Q
M
M
N
A
L
A
Y
F
H
S
Q
H
V
V
H
K
D
L
K
P
E
N
I
L
F
Q
DTS
P
H
S
P
I
K
I
I
D
F
G
L
A
E
L
F
K
-----------
A
G
T
A
L
Y
M
A
P
E
V
F
K
-
R
D
V
T
F
K
C
D
I
W
S
A
G
V
V
M
Y
F
L
L
T
G
C
L
P
F
T
G
T
-
S
L
E
E
V
Q
Q
K
A
T
Y
-
K
E
P
N
Y
A
--------PL--
T
P
Q
A
V
D
---
L
L
K
Q
M
L
T
K
D
P
-
E
R
R
P
S
A
A
Q
V
L
H
H
E
W
F
K
Q
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
59.84
32%
-87
- C2 -
3IS5
4
?
E:
[24-277]
-------
F
I
F
K
R
K
L
G
S
G
A
F
G
D
V
H
L
V
E
E
R
S
S
G
L
E
R
V
I
K
T
I
N
K
D
R
S
Q
V
P
--
M
E
Q
I
E
A
E
I
E
V
L
K
S
L
D
H
P
N
I
I
K
I
F
E
V
F
E
D
----
Y
H
N
M
Y
I
V
M
E
T
C
E
G
G
E
L
L
E
R
I
V
S
A
--
Q
A
R
G
K
A
L
S
E
G
Y
V
A
E
L
M
K
Q
M
M
N
A
L
A
Y
F
H
S
Q
H
V
V
H
K
D
L
K
P
E
N
I
L
F
Q
DTS
P
H
S
P
I
K
I
I
D
F
G
L
A
E
L
F
K
--------------
A
L
Y
M
A
P
E
V
F
K
-
R
D
V
T
F
K
C
D
I
W
S
A
G
V
V
M
Y
F
L
L
T
G
C
L
P
F
T
G
T
-
S
L
E
E
V
Q
Q
K
A
T
Y
-
K
-------------PL--
T
P
Q
A
V
D
---
L
L
K
Q
M
L
T
K
D
P
-
E
R
R
P
S
A
A
Q
V
L
H
H
E
W
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
27
PsiBlast_CBE
58.73
32%
-79
- C2 -
3IS5
4
?
F:
[24-277]
-------
F
I
F
K
R
K
L
G
S
G
A
F
G
D
V
H
L
V
E
E
R
S
S
G
L
E
R
V
I
K
T
I
N
K
D
R
S
Q
V
P
--
M
E
Q
I
E
A
E
I
E
V
L
K
S
L
D
H
P
N
I
I
K
I
F
E
V
F
E
D
----
Y
H
N
M
Y
I
V
M
E
T
C
E
G
G
E
L
L
E
R
I
V
S
A
--
Q
A
R
G
-
A
L
S
E
G
Y
V
A
E
L
M
K
Q
M
M
N
A
L
A
Y
F
H
S
Q
H
V
V
H
K
D
L
K
P
E
N
I
L
F
Q
DTS
P
H
S
P
I
K
I
I
D
F
G
L
A
E
L
F
K
----------
A
A
G
T
A
L
Y
M
A
P
E
V
F
K
-
R
D
V
T
F
K
C
D
I
W
S
A
G
V
V
M
Y
F
L
L
T
G
C
L
P
F
T
G
T
-
S
L
E
E
V
Q
Q
K
A
T
Y
-
K
E
P
N
Y
A
------
V
E
CRPL
T
P
Q
A
V
D
---
L
L
K
Q
M
L
T
K
D
P
-
E
R
R
P
S
A
A
Q
V
L
H
H
E
W
F
K
Q
A
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------