@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 : PA5045: (2016-03-04 )
MRLLKFLWWTCVTLICGVLLSFSGAYLYLSPSLPSVEALRNVQLQIPLKVYSEDGKLISEFGEMRRTPIRFADIPQDFIHALLSAEDDNFANHYGVDVKSLMRAAAQLLKSGHIQTGGSTITMQVAKNYFLTNERSFSRKINEILLALQIERQLTKDEILELYVNKIYLGNRAYGIEAAAQVYYGKPIKDLSLAEMAMIAGLPKAPSRYNPLVNPTRSTERRNWILERMLKLGFIDQQRYQAAVEEPINASYHVQTPELNAPYIAEMARAEMVGRYGSEAYTEGYKVITTVRSDLQNAASQSVRDGLIDYDQRHGYRGPETRLPGQTRDAWLKHLGQQRSIGGLEPAIVTQVEKSGIMVMTRDGKEEAVTWDSMKWARPFLSNNSMGPMPRQPADVAQAGDQIRVQRQEDGTLRFVQIPAAQSALISLDPKDGAIRSLVGGFSFEQSNYNRAIQAKRQPGSSFKPFIYSAALDNGFTAASLVNDAPIVFVDEYLDKVWRPKNDTNTFLGPIPLREALYKSRNMVSIRVLQGLGIERAISYITKFGFQRDELPRNFSLALGTATVTPMEIAGAWSVFANGGYKVNPYVIERIESRDGQVLYQANPPRVPVEEQVAADAEDAGNPGDPEHPESAEGEGSIEAQQVAAKAQTTFEPTPAERIIDARTAYIMTSMLQDVIKRGTGRRALALKRTDLAGKTGTTNDSKDGWFSGYNSDYVTSVWVGFDQPETLGRREYGGTVALPIWIRYMGFALKDKPMHTMAEPPGIVSLRIDPVTGRSAAPGTPGAYFEMFKNEDTPPSVNELPPGSFPGSPLPDDEGAPIDLF
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
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
M
R
L
L
K
F
L
W
W
T
C
V
T
L
I
C
G
V
L
L
SFSG
A
Y
L
Y
LSPSLP
S
V
E
A
L
RN
V
Q
L
Q
--
I
P
L
K
V
YSED
G
K
L
I
S
E
F
-
G
-
E
-
M
RRTPIRFADI
P
Q
D
F
-
I
H
A
L
LSAEDDNFANHYGV
D
V
K
S
L
M
R
A
A
A
Q
L
L
KSGHIQTGG
S
T
I
T
M
Q
V
A
K
N
YFLTN
E
R
S
F
S
R
K
I
N
E
I
L
L
A
L
Q
---
I
E
R
QL
T
K
D
E
I
L
E
L
Y
V
N
K
I
Y
LGNRAY
G
I
E
A
A
A
Q
VYYGKPIKD-------
L
S
L
A
E
M
A
M
I
AGLPKAPSRYNPLVNPTR
S
T
E
R
R
N
W
I
L
E
R
-
M
L
KLGF
I
D
Q
Q
R
Y
Q
A
A
V
EEPINA
S
Y
H
V--Q-T-------PELN
A
P
Y
I
A
E
M
A
R
A
E
M
V
G
RYG------
S
E
A
Y
TEGY
K
V
I
T
T
V
R
S
D
L
Q
N
A
A
S
Q
S
V
R
D
GLID
Y
D
Q
RHGYRGPETRLPGQ
T
R
D
A
W
L
K
H
LGQQR-SIGGL
E
P
A
I
V
T
Q
VEKS
G
I
M
V
M
TR-DGKEEAVTWDS
M
K
W
A
R
P
F
LSNNSMGPMPRQ
P
A
D
V
A
QAG
D
Q
I
R
V
Q
R-QEDG
T
L
R
F
V
QIPAAQ
S
A
L
I
S
LDPKD
G
A
I
R
S
L
V
GGFSFE-Q-SNYN
R
A
I
Q
AKRQPGSSFK
P
F
-
I
-
Y
S
AALDN-G--F-
T
A
-
A
S
LVNDA
P
I
V
F
V
D
E
Y
L
D
K
VWRPKNDTNTFL--G
P
I
P
L
R
E
A
L
Y
KSR
N
M
V
S
I
R
V
---
L
QGL----
G
I
E
----
R
A
I
S
Y
I
T
KFGF
Q
R
DELP------RN
F
S
L
A
LG--
T
--
A
T--V
T
P
M
E
I
A
G
A
W
S
VFANGGYKV
N
P
Y
V
I
E
R
IESRD
G
Q
V
L
Y
QANPPRVP
V
E
E
Q
VAADAEDAGNPGDPEHPESAEGEGS
I
E
A
Q
Q
V
A
A
K
AQTTFEPT
P
A
E
R
I
I
-
D
A
R
T
A
Y
I
-
M
T
S
-
M
L
Q
D
V
I
K
-RGTGR
R
A
--------
L
A
-
L
KRTDL-AGKTGT-------T--------------N--------------DS----KDGWFSGYNSD
Y
V
T
-
S
V
W
-VGFD--Q
P
E
TLG---R----REYG
G
T
V
A
L
P
I
W
I
R
Y
-
M
G
F
ALKDKP----MHTMAEPP
G
I
V
-
S
L
R
I
DPVTGRSAAPGT
P
G
A
Y
F
E
M
F
KNEDTP--PSVNELPPGSFPGSPLPDDEGAPIDLF
1
PsiBlast_PDB
94.84
100%
-75
- C2 -
4OON
1
PBPA_PSEAE
A:
[20-765]
------------------------------------------------
P
L
K
V
Y
S
E
D
G
K
L
I
S
E
F
-
G
-
E
-
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
T
-------
P
E
L
N
A
P
Y
I
A
E
M
A
R
A
E
M
V
G
R
Y
G
------
S
E
A
Y
T
E
G
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T
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N
A
A
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G
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Q
R
-
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I
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G
L
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P
A
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-
D
G
K
E
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A
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T
W
D
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M
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W
A
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P
F
L
S
N
N
S
M
G
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M
P
R
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P
A
D
V
A
Q
A
G
D
Q
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-
Q
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A
A
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L
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D
G
A
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G
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F
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-
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-
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N
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N
R
A
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P
G
S
S
F
K
P
F
-
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-
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S
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A
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N
-
G
--
F
-
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-
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N
D
A
P
I
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F
V
D
E
Y
L
-----------
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F
L
--
G
P
I
P
L
R
E
A
L
Y
K
S
R
N
M
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---
L
Q
G
L
----
G
I
E
----
R
A
I
S
Y
I
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K
F
G
F
Q
R
D
E
L
P
------
R
N
F
S
L
A
L
G
--
T
--
A
T
--
V
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M
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I
A
G
A
W
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A
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G
G
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K
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N
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G
Q
V
L
Y
Q
A
N
P
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V
P
V
------------------------------------------
E
P
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P
A
E
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I
-
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I
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V
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-
R
G
T
G
R
R
A
--------
L
A
-
L
K
R
T
D
L
-
A
G
K
T
G
T
-------
T
--------------
N
--------------
D
S
----
K
D
G
W
F
S
G
Y
N
S
D
Y
V
T
-
S
V
W
-
V
G
F
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--
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P
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T
L
G
---
R
----
R
E
Y
G
G
T
V
A
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P
I
W
I
R
Y
-
M
G
F
A
L
K
D
K
P
----
M
H
T
M
A
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P
P
G
I
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-
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L
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I
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S
A
A
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G
T
P
G
A
Y
F
E
M
F
K
N
E
--------------------------------
53
Fugue
82.22
47%
-69
- C2 -
3UDI
1
?
A:
[19-727]
-----------------------------------------------
K
P
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Q
V
Y
T
A
-------------------------------------------------------------------
D
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DSS
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E
-------
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M
A
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--
R
-
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-------
L
N
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G
A
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A
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--
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----
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N
--------------------------------------
A
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I
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L
-
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G
K
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G
T
-------
T
--------------
N
--------------
D
A
----
K
D
A
W
F
A
G
F
N
G
K
L
V
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-
V
T
W
-
V
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F
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--
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T
L
G
---
R
----
R
E
Y
G
G
I
A
A
L
P
I
W
I
N
F
-
M
G
Q
A
L
Q
G
T
P
----
A
A
W
V
R
L
E
----------------------------------------------------------------
29
HHSearch
76.20
27%
-70
* C2 *
2OLV
1
?
A:
[9-623]
---------------------------------------
A
K
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Q
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P
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I
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I
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--------------------------------------------------------------------------------------------------------------
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K-
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L
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H
--------------------------------------------------
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P
Y
G
S
A
Y
G
H
---------
G
-
V
S
G
V
N
M
-
G
A
K
T
G
T
-------
G
--------------
T
Y
G
A
E
T
Y
S
Q
Y
NLPDN
A
A
----
K
D
V
W
I
N
G
F
T
P
Q
Y
T
M
-
S
V
W
-
M
G
F
S
--
K
V
K
Q
Y
G
---
E
NSFV
G
H
S
Q
Q
E
Y
P
Q
F
L
Y
E
N
V
-
M
S
K
I
S
S
R
D
-----
G
E
D
F
K
R
P
S
S
V
S
G
S
I
P
S
I
N
V
S
G
S
-------------------------------------------------
54
Fugue
68.45
25%
-54
- C2 -
2OLU
1
?
A:
[10-634]
----------------------------------------
K
L
Q
D
P
--
I
P
A
K
I
Y
D
K
N
G
E
L
V
K
T
L
D
N
-
G
-
Q
R
H
E
H
V
N
L
K
D
V
P
-
K
S
M
K
D
A
V
L
A
T
E
D
N
R
F
Y
E
H
G
A
L
D
Y
G
F
-------------
G
S
E
G
A
S
T
L
T
Q
Q
V
V
K
D
A
F
L
----
S
I
G
R
K
A
Q
E
A
Y
L
S
Y
R
---
L
E
Q
E
Y
S
K
D
D
I
F
Q
V
Y
L
N
K
I
Y
Y
S
D
G
V
T
G
I
K
A
A
A
K
Y
Y
F
N
K
D
L
K
D
-------
L
N
L
A
E
E
A
Y
L
A
G
L
P
Q
V
P
N
N
Y
N
I
Y
D
H
P
K
A
A
E
D
R
K
N
T
V
L
Y
L
M
H
Y
H
-
K
R
I
T
D
K
Q
W
E
D
A
K
K
I
D
L
K
A
N
L
V
N
--
R
-
T
-------
P
E
E
R
Q
N
I
---------------------------------------------------------------
D
T
N
Q
D
S
E
Y
N
S
Y
V
N
F
V
K
S
E
L
M
N
N
K
A
F
K
D
E
N
L
G
N
V
L
Q
S
G
I
K
I
Y
T
N
M
D
K
D
V
Q
K
T
L
Q
N
D
V
D
N
G
S
F
Y
K
N
K
D
-------------------------------------
Q
Q
V
G
A
T
I
L
D
S
K
T
G
G
L
V
A
I
S
G
G
R
D
F
K
-
D
V
V
N
R
N
Q
A
T
D
-
P
H
P
T
G
S
S
L
K
P
F
-
L
A
Y
G
P
A
I
E
N
M
K
--
W
-
A
T
-
N
H
A
I
Q
D
E
S
S
Y
Q
V
D
G
-----
S
T
F
R
N
Y
D
T
K
S
H
--
G
T
V
S
I
Y
D
A
L
R
Q
S
F
N
I
P
A
L
K
A
---
W
Q
S
V
----
K
Q
N
AGND
A
P
K
K
F
A
A
K
L
G
L
N
Y
E
G
-
D
------
I
G
P
S
E
V
L
G
GS
A
--
S
E
--
F
S
P
T
Q
L
A
S
A
F
A
A
I
A
N
G
G
T
Y
N
N
A
H
S
I
Q
K
V
V
T
R
D
G
E
T
I
E
Y
D
H
T
----------------------------------------------------
S
H
K
A
M
S
D
Y
T
A
Y
-
M
L
A
E
M
L
K
G
T
F
K
P
-
Y
G
S
A
Y
G
H
--------
G
---
V
S
G
V
N
M
G
A
K
T
G
T
-------
G
T
Y
G
A
E
T
Y
S
Q
Y
NLPD
N
--------------
A
A
----
K
D
V
W
I
N
G
F
T
P
Q
-
Y
T
M
S
V
W
M
G
F
S
K
--
V
K
Q
Y
G
E
NSF
V
----
G
H
S
Q
Q
E
Y
P
Q
F
L
Y
E
N
V
M
S
--
K
I
S
S
R
D
----
G
E
D
F
K
R
P
S
S
V
S
--------------------------
G
S
I
P
S
--
I
N
V
S
G
S
Q
D
N
N
T
T
N
R
S
T
H
----------
30
HHSearch
66.65
31%
-62
- C2 -
3ZG9
5
?
B:
[9-464]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
D
E
I
M
E
M
Y
L
N
R
S
Y
F
G
N
G
E
W
G
V
E
N
A
S
L
K
Y
F
G
K
S
A
A
D
-------
L
N
I
P
E
A
A
T
I
A
G
L
L
Q
A
P
S
A
Y
D
P
Y
Q
H
I
D
K
A
T
N
R
R
N
M
V
L
N
A
-
M
V
E
T
G
T
I
S
K
A
E
G
D
K
Y
K
A
T
K
I
V
L
N
D
Q
S
--
K
D
P
-------
L
A
N
K
Y
P
W
Y
V
D
A
V
I
N
E
A
V
N
E
A
D
IT
Q
---
D
E
I
M
Q
K
G
Y
K
I
Y
T
E
L
D
Q
N
Y
Q
T
S
L
E
N
V
Y
N
N
D
G
L
F
P
S
N
---------------------------------------------------------------------------------------------------------
A
N
D
G
T
L
V
Q
S
G
A
V
L
M
D
P
A
T
G
G
I
R
A
L
V
G
G
R
G
E
H
V
F
-
R
G
F
N
R
A
T
Q
M
K
A
Q
P
G
S
T
M
K
P
L
-
A
V
Y
T
P
A
L
Q
S
-
G
--
Y
-
D
V
-
D
S
M
L
K
D
E
K
I
T
Y
K
G
-----
N
Y
T
P
T
N
V
G
G
V
Y
S
--
G
E
V
P
M
Y
K
A
V
A
N
S
I
N
A
P
A
V
W
L
---
L
D
Q
I
----
G
I
D
----
K
G
V
K
S
V
E
K
F
G
I
T
V
P
E
K
D
------
R
T
L
G
L
A
L
G
--
G
MS
K
G
--
A
S
P
V
E
M
A
T
A
Y
A
T
F
A
N
N
G
A
K
P
E
S
H
I
I
T
K
I
V
D
P
S
G
N
T
V
Y
E
N
V
P
K
--------------------------------------------------
T
K
Q
I
I
-
S
E
T
V
S
N
E
-
M
T
S
-
M
L
L
D
V
I
N
-
T
G
T
G
Q
S
A
---------
A
-
V
S
G
H
E
M
-
A
G
K
T
G
S
-------
T
--------------
Q
V
PFDD
T
S
-------
G
T
----
K
D
Q
W
F
V
G
Y
T
P
N
L
V
G
-
A
V
W
-
M
G
Y
D
--
K
T
D
K
E
H
---
Y
L---
T
T
T
S
S
A
G
V
S
S
L
A
H
Y
V
-
M
N
S
G
L
Q
Y
Q
----------------------------------------------------------------------------
18
PsiBlast_PDB
55.07
29%
-51
- C2 -
3ZG7
2
?
B:
[172-436]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
G
T
L
-------
V
Q
S
G
A
V
L
M
D
P
A
T
G
G
I
R
A
L
V
G
G
R
G
E
H
-
V
F
R
G
F
N
R
A
T
Q
M
K
A
Q
P
G
S
T
M
K
P
L
A
V
-
Y
T
P
A
L
Q
S
-
G
--
Y
-
D
V
-
D
S
M
L
K
D
E
K
I
T
Y
K
G
N
Y
T
-----
P
T
N
V
G
G
V
Y
S
--
G
E
V
P
M
Y
K
A
V
A
N
S
I
N
A
P
A
V
W
L
---
L
D
Q
I
----
G
I
D
----
K
G
V
K
S
V
E
K
F
G
I
T
V
P
E
K
D
------
R
T
L
G
L
A
L
G
--
G
--
M
S
K
G
A
S
P
V
E
M
A
T
A
Y
A
T
F
A
N
N
G
A
K
P
E
S
H
I
I
T
K
I
V
D
P
S
G
N
T
V
Y
E
-
N
V
P
K
T
-------------------------------------------------
K
Q
I
I
-
S
E
T
V
S
N
E
-
M
T
S
-
M
L
L
D
V
I
N
-
T
G
T
G
Q
S
A
---------
A
-
V
S
G
H
E
M
-
A
G
K
T
G
S
T
Q
V
PFDD
T
--------------
S
--------------
G
T
----
K
D
Q
W
F
V
G
Y
T
P
N
L
V
G
-
A
V
W
-
M
G
Y
D
--
K
T
D
---------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
54.87
30%
-57
- C2 -
3VMA
-
PBPB_ECOLI
A:
[435-712]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
E
T
A
I
V
V
V
D
R
F
S
G
E
V
R
A
M
V
G
G
S
E
P
Q
-
F
-
A
G
Y
N
R
A
M
Q
A
R
R
S
I
G
S
L
A
K
P
A
-
T
-
Y
L
T
A
L
S
Q
-
P
KI
Y
-
R
L
-
N
T
W
I
A
D
A
P
I
A
L
R
Q
P
N
-
G
Q
V
W
S
P
Q
N
D
D
R
R
Y
S
ES
G
R
V
M
L
V
D
A
L
T
R
S
M
N
V
P
T
V
N
L
---
G
M
A
L
----
G
L
P
----
A
V
T
E
T
W
I
K
L
G
V
P
K
D
Q
L
H
------
P
V
P
A
M
L
L
G
--
A
--
L
N
--
L
T
P
I
E
V
A
Q
A
F
Q
T
I
A
S
G
G
N
R
A
P
L
S
A
L
R
S
V
I
A
E
D
G
K
V
L
Y
Q
S
F
P
--------------------------------------------------
Q
A
E
R
A
V
-
P
A
Q
A
A
Y
L
-
T
L
W
-
T
M
Q
Q
V
V
Q
-
R
G
T
G
R
Q
L
--------
G
A
K
Y
P
N
L
H
L
-
A
G
K
T
G
T
-------
T
--------------
N
--------------
N
N
----
V
D
T
W
F
A
G
I
D
G
S
T
V
T
-
I
T
W
-
V
G
R
D
NN
Q
P
T
K
L
-----------
Y
G
A
S
G
A
M
S
I
Y
Q
R
Y
-
L
A
----------------------------------------------------------------------------------
4
PsiBlast_PDB
54.64
49%
-78
- C2 -
3NB7
-
PBPA_AQUAE
A:
[59-243]
----------------------------------------------------------------
G
-
I
-
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
-
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
--------
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
I
K
---
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
-------
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
-
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
53.88
30%
-50
- C2 -
3ZG8
3
?
B:
[172-436]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
G
T
L
-------
V
Q
S
G
A
V
L
M
D
P
A
T
G
G
I
R
A
L
V
G
G
R
G
E
H
-
V
F
R
G
F
N
R
A
T
Q
M
K
A
Q
P
G
S
T
M
K
P
L
A
V
-
Y
T
P
A
L
Q
S
-
G
--
Y
-
D
V
-
D
S
M
L
K
D
E
K
I
T
Y
K
G
N
Y
-----
T
P
T
N
V
G
G
V
Y
S
--
G
E
V
P
M
Y
K
A
V
A
N
S
I
N
A
P
A
V
W
L
---
L
D
Q
I
----
G
I
D
----
K
G
V
K
S
V
E
K
F
G
I
T
V
P
E
K
D
------
R
T
L
G
L
A
L
G
GM
S
--
K
G
--
A
S
P
V
E
M
A
T
A
Y
A
T
F
A
N
N
G
A
K
P
E
S
H
I
I
T
K
I
V
D
P
S
G
N
T
V
Y
E
-
N
V
P
K
T
-------------------------------------------------
K
Q
I
I
-
S
E
T
V
S
N
E
-
M
T
S
-
M
L
L
D
V
I
N
-
T
G
T
G
Q
S
A
---------
A
-
V
S
G
H
E
M
-
A
G
K
T
G
S
T
Q
V
PFDD
T
--------------
S
--------------
G
T
----
K
D
Q
W
F
V
G
Y
T
P
N
L
V
G
-
A
V
W
-
M
G
Y
D
--
K
T
D
---------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
53.27
30%
-46
- C2 -
3ZGA
3
?
B:
[172-436]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
G
T
L
-------
V
Q
S
G
A
V
L
M
D
P
A
T
G
G
I
R
A
L
V
G
G
R
G
E
H
-
V
F
R
G
F
N
R
A
T
Q
M
K
A
Q
P
G
S
T
M
K
P
L
A
V
-
Y
T
P
A
L
Q
S
-
G
--
Y
-
D
V
-
D
S
M
L
K
D
E
K
I
T
Y
K
G
N
Y
-----
T
P
T
N
V
G
G
V
Y
S
--
G
E
V
P
M
Y
K
A
V
A
N
S
I
N
A
P
A
V
W
L
---
L
D
Q
I
----
G
I
D
----
K
G
V
K
S
V
E
K
F
G
I
T
V
P
E
K
D
------
R
T
L
G
L
A
L
G
GM
S
--
K
G
--
A
S
P
V
E
M
A
T
A
Y
A
T
F
A
N
N
G
A
K
P
E
S
H
I
I
T
K
I
V
D
P
S
G
N
T
V
Y
E
-
N
V
P
K
T
-------------------------------------------------
K
Q
I
I
-
S
E
T
V
S
N
E
-
M
T
S
-
M
L
L
D
V
I
N
-
T
G
T
G
Q
S
A
---------
A
-
V
S
G
H
E
M
-
A
G
K
T
G
S
T
Q
V
PFDD
T
--------------
S
--------------
G
T
----
K
D
Q
W
F
V
G
Y
T
P
N
L
V
G
-
A
V
W
-
M
G
Y
D
--
K
T
D
---------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
53.23
30%
-48
- C2 -
3ZG9
5
?
B:
[172-436]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
G
T
L
-------
V
Q
S
G
A
V
L
M
D
P
A
T
G
G
I
R
A
L
V
G
G
R
G
E
H
-
V
F
R
G
F
N
R
A
T
Q
M
K
A
Q
P
G
S
T
M
K
P
L
A
V
-
Y
T
P
A
L
Q
S
-
G
--
Y
-
D
V
-
D
S
M
L
K
D
E
K
I
T
Y
K
G
N
Y
-----
T
P
T
N
V
G
G
V
Y
S
--
G
E
V
P
M
Y
K
A
V
A
N
S
I
N
A
P
A
V
W
L
---
L
D
Q
I
----
G
I
D
----
K
G
V
K
S
V
E
K
F
G
I
T
V
P
E
K
D
------
R
T
L
G
L
A
L
G
GM
S
--
K
G
--
A
S
P
V
E
M
A
T
A
Y
A
T
F
A
N
N
G
A
K
P
E
S
H
I
I
T
K
I
V
D
P
S
G
N
T
V
Y
E
-
N
V
P
K
T
-------------------------------------------------
K
Q
I
I
-
S
E
T
V
S
N
E
-
M
T
S
-
M
L
L
D
V
I
N
-
T
G
T
G
Q
S
A
---------
A
-
V
S
G
H
E
M
-
A
G
K
T
G
S
T
Q
V
PFDD
T
--------------
S
--------------
G
T
----
K
D
Q
W
F
V
G
Y
T
P
N
L
V
G
-
A
V
W
-
M
G
Y
D
--
K
T
D
---------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
52.75
49%
-77
- C2 -
3NB6
-
PBPA_AQUAE
A:
[61-243]
--------------------------------------------------------------------
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
-
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
Y
R
A
G
R
I
A
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
I
K
---
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
-------
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
-
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
52.58
34%
-68
- C2 -
2OLV
1
?
A:
[9-228]
-----------------------------------------
A
K
L
Q
D
P
I
P
A
K
I
Y
D
K
N
G
E
L
V
K
T
L
-
D
-
N
G
Q
R
H
E
H
V
N
L
K
D
V
P
K
S
M
-
K
D
A
V
L
A
T
E
D
N
R
F
Y
E
H
G
A
L
D
Y
K
R
L
F
G
A
I
G
K
---------
G
A
S
T
L
T
Q
Q
V
V
K
D
A
F
L
S
Q
H
K
S
I
G
R
K
A
Q
E
A
Y
L
S
Y
R
---
L
E
Q
E
Y
S
K
D
D
I
F
Q
V
Y
L
N
K
I
Y
Y
S
D
G
V
T
G
I
K
A
A
A
K
Y
Y
F
N
K
D
L
K
D
-------
L
N
L
A
E
E
A
Y
L
A
G
L
P
Q
V
P
N
N
Y
N
I
Y
D
H
P
K
A
A
E
D
R
K
N
T
V
L
Y
L
-
M
H
Y
H
K
R
I
T
D
K
Q
W
E
D
A
K
K
I
D
L
K
A
N
L
V
N
--
R
-
T
-------
P
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
52.38
34%
-76
- C2 -
2OLU
1
?
A:
[10-228]
------------------------------------------
K
L
Q
D
P
I
P
A
K
I
Y
D
K
N
G
E
L
V
K
T
L
-
D
-
N
G
Q
R
H
E
H
V
N
L
K
D
V
P
K
S
M
-
K
D
A
V
L
A
T
E
D
N
R
F
Y
E
H
G
A
L
D
Y
-------------
G
F
G
S
E
G
A
S
T
L
T
Q
Q
V
V
K
D
A
F
L
S
----
I
G
R
K
A
Q
E
A
Y
L
S
Y
R
---
L
E
Q
E
Y
S
K
D
D
I
F
Q
V
Y
L
N
K
I
Y
Y
S
D
G
V
T
G
I
K
A
A
A
K
Y
Y
F
N
K
D
L
K
D
-------
L
N
L
A
E
E
A
Y
L
A
G
L
P
Q
V
P
N
N
Y
N
I
Y
D
H
P
K
A
A
E
D
R
K
N
T
V
L
Y
L
-
M
H
Y
H
K
R
I
T
D
K
Q
W
E
D
A
K
K
I
D
L
K
A
N
L
V
N
--
R
-
T
-------
P
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
33
HHSearch
50.89
48%
-79
- C2 -
2OQO
2
PBPA_AQUAE
A:
[14-199]
-------------------------------------------------------------
T
I
-
G
-
I
-
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
-
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
------
V
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
I
K
---
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
-------
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
-
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
37
HHSearch
50.84
28%
-50
- C2 -
2V2F
2
?
F:
[63-380]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
L
Q
V
A
S
T
V
V
D
V
S
N
G
K
V
I
A
Q
L
G
A
R
H
----S
F
G
T
N
Q
A
V
E
T
N
R
D
W
G
S
A
M
K
P
I
-
T
D
Y
A
P
A
I
E
Y
-
G
--
V
Y
D
S
T
A
T
M
V
N
D
I
P
Y
N
Y
P
G
----
T
S
T
P
V
Y
N
W
D
R
A
Y
F
--
G
N
I
T
L
Q
Y
A
L
Q
Q
S
R
N
V
T
A
V
E
T
---
L
N
K
V
----
G
L
D
----
R
A
K
T
F
L
N
G
L
G
I
D
Y
P
S
M
H
YANAIS
S
N
T
T
E
S
N
K
--
Q
--
Y
G
--
A
S
S
E
K
M
A
A
A
Y
A
A
F
A
N
G
G
I
Y
H
K
P
M
Y
I
N
K
V
V
F
S
D
G
S
K
K
E
F
S
-
D
--------------------------------------------------
V
G
T
R
A
M
-
K
E
T
T
A
Y
M
-
M
T
E
-
M
M
K
T
V
L
A
-
Y
G
T
G
R
G
A
---------
Y
-
L
P
W
L
A
Q
-
A
G
K
T
G
T
-------
S
--------------
N
--------------
Y
T
DYVA
P
D
E
M
F
V
G
Y
T
R
K
Y
S
M
-
A
V
W
-
T
G
Y
S
--
N
R
L
T
P
I
--------
V
G
D
G
F
L
V
A
A
K
V
Y
R
S
M
-
I
T
Y
L
S
E
G
S
-----
P
E
D
W
N
I
P
E
G
L
Y
-
R
N
---------------------------------------------------------
3
PsiBlast_PDB
50.68
49%
-76
- C2 -
2OQO
2
PBPA_AQUAE
A:
[14-200]
-------------------------------------------------------------
T
I
-
G
-
I
-
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
-
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
------
V
Q
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
I
K
---
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
-------
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
-
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
31
HHSearch
50.35
24%
-40
- C2 -
2Y2M
13
?
A:
[122-461]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
E
V
G
N
V
L
M
D
N
Q
T
G
A
I
L
G
F
V
G
G
R
N
Y
Q
-
E
-
N
Q
N
N
H
A
F
D
T
K
R
S
P
A
S
T
T
K
P
L
-
L
A
Y
G
I
A
I
D
Q
-
G
--
L
M
G
S
-
E
T
I
L
S
N
Y
P
T
N
F
A
N
-----
G
N
P
I
M
Y
A
N
S
K
G
T
--
G
M
M
T
L
G
E
A
L
N
Y
S
W
N
I
P
A
Y
W
T
Y
R
M
L
R
E
N
----
G
V
D
-----
V
K
G
Y
M
E
K
M
G
Y
E
I
P
E
-
Y
------
G
I
E
S
L
P
M
G
G-
G
--
I
E
--
V
T
V
A
Q
H
T
N
G
Y
Q
T
L
A
N
N
G
V
Y
H
Q
K
H
V
I
S
K
I
E
A
A
D
G
R
V
V
Y
E
Y
Q
D
K
--------------------------------------------------
P
V
Q
V
Y
-
S
K
A
T
A
T
I
-
M
Q
G
-
L
L
R
E
V
L
S
-
S
R
V
T
T
T
F
K
S
N
L
T
S
L
N
P
T
-
L
A
N
A
D
W
-
I
G
K
T
G
T
-------
T
--------------
G
--------------
Q
D
----
E
N
M
W
L
M
L
S
T
P
R
L
T
L
-
G
G
W
-
I
G
H
D
--
D
N
H
S
L
S
---
Q
-----
Q
A
G
Y
S
N
N
S
N
Y
M
A
H
L
-
V
N
A
I
Q
Q
A
S
P
SIWG
N
E
R
F
A
L
D
P
S
V
V
-
K
S
E
V
L
K
S
T
G
Q
K
P
G
K
V
S
V
E
-
G
K
E
V
E
V
T
G
S
T
V
T
S
Y
W
A
------------------------
57
Fugue
50.17
50%
-75
- C2 -
2OQO
2
PBPA_AQUAE
A:
[14-200]
-------------------------------------------------------------
T
I
-
G
-
I
-
Q
K
R
F
Y
V
S
I
D
K
I
P
E
H
V
-
I
N
A
F
V
A
T
E
D
R
N
F
W
H
H
F
G
I
D
P
V
A
I
V
R
A
A
I
V
N
V
Q
------
G
G
S
T
I
T
Q
Q
L
A
K
N
L
F
L
T
R
E
R
T
L
E
R
K
I
K
E
A
L
L
A
I
K
---
I
E
R
T
F
D
K
K
K
I
M
E
L
Y
L
N
Q
I
Y
L
G
S
G
A
Y
G
V
E
A
A
A
Q
V
Y
F
G
K
H
V
W
E
-------
L
S
L
D
E
A
A
L
L
A
A
L
P
K
A
P
A
K
Y
N
P
F
Y
H
P
E
R
A
L
Q
R
R
N
L
V
L
K
R
-
M
L
E
E
G
Y
I
T
P
E
Q
Y
E
E
A
V
N
K
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
49.21
37%
-67
- C2 -
3VMS
-
MGT_STAAM
A:
[87-266]
-----------------------------------------------------------------------------
N
M
P
E
Y
V
-
K
G
A
F
I
S
M
E
D
E
R
F
Y
N
H
H
G
F
D
L
K
G
T
T
R
A
L
F
S
T
--------
G
G
S
T
I
T
Q
Q
V
V
K
N
Y
F
Y
D
N
D
R
S
F
T
R
K
V
K
E
L
F
V
A
H
R
---
V
E
K
Q
Y
N
K
N
E
I
L
S
F
Y
L
N
N
I
Y
F
G
D
N
Q
Y
T
L
E
G
A
A
N
H
Y
F
G
T
T
V
N
K
NSTT
M
S
H
I
T
V
L
Q
S
A
I
L
A
S
K
V
N
A
P
S
V
Y
N
I
N
N
M
S
E
N
F
T
Q
R
V
S
T
N
L
E
K
-
M
K
Q
Q
N
Y
I
N
E
T
Q
Y
Q
Q
A
M
S
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------