@TOME V2.3
(Nov 2016)
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 : PF00092_ITAL_H: (2014-08-24 )
MKDSCITVMAMALLSGFFFFAPASSYNLDVRGARSFSPPRAGRHFGYRVLQVGNGVIVGAPGEGNSTGSLYQCQSGTGHCLPVTLRGSNYTSKYLGMTLATDPTDGSILACDPGLSRTCDQNTYLSGLCYLFRQNLQGPMLQGRPGFQECIKGNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSYKTEFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGARPDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLHKFASKPASEFVKILDTFEKLKDLFTELQKKIYVIEGTSKQDLTSFNMELSSSGISADLSRGHAVVGAVGAKDWAGGFLDLKADLQDDTFIGNEPLTPEVRAGYLGYTVTWLPSRQKTSLLASGAPRYQHMGRVLLFQEPQGGGHWSQVQTIHGTQIGSYFGGELCGVDVDQDGETELLLIGAPLFYGEQRGGRVFIYQRRQLGFEEVSELQGDPGYPLGRFGEAITALTDINGDGLVDVAVGAPLEEQGAVYIFNGRHGGLSPQPSQRIEGTQVLSGIQWFGRSIHGVKDLEGDGLADVAVGAESQMIVLSSRPVVDMVTLMSFSPAEIPVHEVECSYSTSNKMKEGVNITICFQIKSLIPQFQGRLVANLTYTLQLDGHRTRRRGLFPGGRHELRRNIAVTTSMSCTDFSFHFPVCVQDLISPINVSLNFSLWEEEGTPRDQRAQGKDIPPILRPSLHSETWEIPFEKNCGEDKKCEANLRVSFSPARSRALRLTAFASLSVELSLSNLEEDAYWVQLDLHFPPGLSFRKVEMLKPHSQIPVSCEELPEESRLLSRALSCNVSSPIFKAGHSVALQMMFNTLVNSSWGDSVELHANVTCNNEDSDLLEDNSATTIIPILYPINILIQDQEDSTLYVSFTPKGPKIHQVKHMYQVRIQPSIHDHNIPTLEAVVGVPQPPSEGPITHQWSVQMEPPVPCHYEDLERLPDAAEPCLPGALFRCPVVFRQEILVQVIGTLELVGEIEASSMFSLCSSLSISFNSSKHFHLYGSNASLAQVVMKVDVVYEKQMLYLYVLSGIGGLLLLLLIFIVLYKVGFFKRNLKEKMEAGRGVPNGIPAEDSEQLASGQEAGDPGCLKPLHEKDSESGGGKD
Atome Classification :
(23 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......1040......1050......1060......1070......1080......1090......1100......1110......1120......1130......1140......1150......1160......1170
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MKD
S
C
I
T
V
M
A
M
A
L
LS
G
F
F
F
FAPASS
Y
N
L
D
V
RGARSFSPPRAGRHFG
Y
R
V
L
Q
VGN
G
V
I
V
GAPGEGNSTG
S
L
Y
Q
CQSGTG
H
C
L
P
V
T
L
RGSNYTS
K
Y
L
G
M
T
L
ATDPTDG
S
I
L
A
CDPGLSRTCDQN
T
Y
L
S
G
L
C
Y
L
F
R
QNLQGPMLQGRP
G
F
Q
E
C
IKGNV
D
L
V
F
L
FDGSMSL
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
LSNTS
Y
Q
F
A
A
V
Q
F
STSYKTEFD
F
S
D
Y
V
KRK
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
TNTFG
A
I
N
Y
V
A
T
E
V
F
R
E
E
LGARPDA
T
K
V
L
I
I
I
TDGEATDSGN
I
D
A
A
K
D
I
I
R
Y
I
I
GIGKHFQT
K
E
S
Q
E
T
L
H
K
F
A
SK
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
EGTSKQD
L
T
S
F
N
M
E
LSSSGISADLSRG
H
A
V
V
G
AVGA
K
D
WAG
G
F
L
D
L
K
ADLQDDTFIGNEPL
T
P
E
VRA
G
Y
L
G
Y
T
V
T
WLPSRQ
K
T
S
L
LASGA
P
R
Y
Q
HM
G
R
V
L
L
F
QEPQGGGHW
S
Q
V
Q
T
IHGTQIGSYFGG
E
L
CGVDVDQDGE
T
E
L
L
L
I
GAP
L
F
YGEQRG
G
R
V
F
I
Y
Q
R
R
QL
G
F
E
E
V
S
E
LQGDPGYPL
G
R
F
G
E
A
I
T
A
LTDINGD
G
L
V
D
V
AVGAPLEEQ
G
A
V
Y
I
FNGRHGGLSPQPSQRI
E
G
T
Q
V
L
S
G
I
Q
W
F
G
R
SIHGVKDLEGDGL
A
D
V
AVGAE
S
Q
M
I
V
LSSRP
V
V
D
M
V
T
L
MSFSPAE
I
P
V
H
E
V
E
C
SYSTSNKMKEGV
N
I
T
I
C
F
Q
I
K
S
L
I
P
Q
FQG
R
L
V
A
N
L
T
Y
T
L
Q
LDGHRTRRRGLFPG
G
R
H
E
L
R
R
N
I
A
V
T
TSMSCTDFSFH
F
P
V
C
V
Q
D
L
I
SPI
N
V
S
L
N
F
S
L
WEEEGTPRDQRAQGKDIPPILRPSLHSE
T
W
EIPFEKNCGEDKKCEA
N
L
R
V
S
FSPARS
R
A
L
R
L
T
A
F
A
S
L
S
V
E
L
S
LSNLEE
D
A
Y
W
V
Q
L
D
L
HFPPGL
S
F
R
K
V
E
MLKPHSQIPV
S
C
E
EL
P
E
E
S
R
L
L
S
R
A
LSCNVSS
P
I
F
KA
G
H
S
V
A
L
Q
M
M
F
N
T
L
VNSSWG
D
S
V
E
L
H
A
N
V
T
CNNEDSDLLEDNSA
T
T
I
I
P
I
L
Y
P
I
N
I
L
I
QDQED
S
T
L
Y
V
S
FTPKGP
K
I
H
Q
V
K
H
M
Y
Q
V
R
IQPSIHDHNIP
T
L
E
A
V
VGVPQPPSEGPI
T
H
Q
W
S
VQMEPPVPC
H
Y
E
D
L
E
RLPDAAEPCL
P
G
A
L
F
R
C
P
V
V
F
R
Q
E
I
L
V
Q
V
I
G
T
L
E
L
V
G
EI
E
A
S
S
M
F
S
L
C
S
S
L
S
I
SFNSS
K
H
F
H
L
YGSN
A
S
L
A
Q
V
V
M
K
V
D
V
V
Y
EK
Q
M
L
Y
L
Y
V
L
S
G
I
G
G
L
L
L
L
L
L
I
F
I
V
L
Y
K
V
G
F
F
K
R
N
L
K
E
K
M
E
AGRGVPNGIPAE
D
S
E
Q
L
ASGQEAGDPGCLKPLHEKDSESGGGKD
5
PsiBlast_PDB
51.99
98%
-100
- C1 -
1RD4
1
ITAL_HUMAN
A:
[8-191]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
PsiBlast_CBE
51.97
98%
-98
- C1 -
1RD4
2
ITAL_HUMAN
C:
[8-191]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
23
PsiBlast_CBE
51.90
98%
-100
- C1 -
1RD4
1
ITAL_HUMAN
B:
[8-191]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
PsiBlast_CBE
51.61
98%
-97
- C1 -
1RD4
2
ITAL_HUMAN
D:
[8-191]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
E
G
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
51.58
99%
-100
- C1 -
1CQP
2
ITAL_HUMAN
A:
[1-182]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
29
PsiBlast_CBE
51.57
99%
-97
- C1 -
1XDD
2
ITAL_HUMAN
B:
[5-186]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
35
PsiBlast_CBE
51.53
99%
-103
- C1 -
3F78
1
ITAL_HUMAN
C:
[2-181]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
51.41
99%
-96
- C1 -
1XUO
1
ITAL_HUMAN
A:
[5-185]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
PsiBlast_CBE
51.31
99%
-100
- C1 -
1CQP
2
ITAL_HUMAN
B:
[1-182]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
17
PsiBlast_PDB
51.31
99%
-99
- C1 -
3BQN
2
ITAL_HUMAN
B:
[1-182]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
51.28
99%
-95
- C1 -
3E2M
2
ITAL_HUMAN
A:
[4-185]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
PsiBlast_CBE
51.27
99%
-96
- C1 -
3BQN
2
ITAL_HUMAN
C:
[1-182]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
30
PsiBlast_CBE
51.26
99%
-93
- C1 -
3E2M
2
ITAL_HUMAN
B:
[4-185]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
19
PsiBlast_PDB
51.26
100%
-98
- C1 -
2O7N
1
ITAL_HUMAN
A:
[5-183]
---------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
18
PsiBlast_PDB
51.25
100%
-96
- C1 -
2ICA
1
ITAL_HUMAN
A:
[5-182]
---------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
51.25
99%
-98
- C1 -
4IXD
1
?
A:
[5-186]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
51.24
99%
-95
- C1 -
1XDD
2
ITAL_HUMAN
A:
[5-186]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
PsiBlast_CBE
51.19
99%
-96
- C1 -
3BQM
2
ITAL_HUMAN
C:
[1-182]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
20
PsiBlast_PDB
51.19
100%
-96
- C1 -
3M6F
1
ITAL_HUMAN
A:
[5-183]
---------------------------------------------------------------------------------------------------------------------------------------------------------
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
R
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
51.19
99%
-98
- C1 -
3BQM
2
ITAL_HUMAN
B:
[1-182]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
36
PsiBlast_CBE
51.14
99%
-96
- C1 -
3F78
4
ITAL_HUMAN
B:
[2-181]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
PsiBlast_CBE
51.13
99%
-95
- C1 -
3F78
2
ITAL_HUMAN
A:
[2-181]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
28
PsiBlast_CBE
50.89
99%
-96
- C1 -
1XDG
2
ITAL_HUMAN
B:
[5-186]
--------------------------------------------------------------------------------------------------------------------------------------------------------
G
N
V
D
L
V
F
L
F
D
G
S
M
S
L
Q
P
D
E
F
Q
K
I
L
D
F
M
K
D
V
M
K
K
L
S
N
T
S
Y
Q
F
A
A
V
Q
F
S
T
S
Y
K
T
E
F
D
F
S
D
Y
V
K
W
K
D
P
D
A
L
L
K
H
V
K
H
M
L
L
L
T
N
T
F
G
A
I
N
Y
V
A
T
E
V
F
R
E
E
L
G
A
R
P
D
A
T
K
V
L
I
I
I
T
D
G
E
A
T
D
S
G
N
I
D
A
A
K
D
I
I
R
Y
I
I
G
I
G
K
H
F
Q
T
K
E
S
Q
E
T
L
H
K
F
A
S
K
P
A
S
E
F
V
K
I
L
D
T
F
E
K
L
K
D
L
F
T
E
L
Q
K
K
I
Y
V
I
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------