@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 : GP158_HUMAN: (2016-01-10 )
MGAMAYPLLLCLLLAQLGLGAVGASRDPQGRPDSPRERTPKGKPHAQQPGRASASDSSAPWSRSTDGTILAQKLAEEVPMDVASYLYTGDSHQLKRANCSGRYELAGLPGKWPALASAHPSLHRALDTLTHATNFLNVMLQSNKSREQNLQDDLDWYQALVWSLLEGEPSISRAAITFSTDSLSAPAPQVFLQATREESRILLQDLSSSAPHLANATLETEWFHGLRRKWRPHLHRRGPNQGPRGLGHSWRRKDGLGGDKSHFKWSPPYLECENGSYKPGWLVTLSSAIYGLQPNLVPEFRGVMKVDINLQKVDIDQCSSDGWFSGTHKCHLNNSECMPIKGLGFVLGAYECICKAGFYHPGVLPVNNFRRRGPDQHISGSTKDVSEEAYVCLPCREGCPFCADDSPCFVQEDKYLRLAIISFQALCMLLDFVSMLVVYHFRKAKSIRASGLILLETILFGSLLLYFPVVILYFEPSTFRCILLRWARLLGFATVYGTVTLKLHRVLKVFLSRTAQRIPYMTGGRVMRMLAVILLVVFWFLIGWTSSVCQNLEKQISLIGQGKTSDHLIFNMCLIDRWDYMTAVAEFLFLLWGVYLCYAVRTVPSAFHEPRYMAVAVHNELIISAIFHTIRFVLASRLQSDWMLMLYFAHTHLTVTVTIGLLLIPKFSHSSNNPRDDIATEAYEDELDMGRSGSYLNSSINSAWSEHSLDPEDIRDELKKLYAQLEIYKRKKMITNNPHLQKKRCSKKGLGRSIMRRITEIPETVSRQCSKEDKEGADHGTAKGTALIRKNPPESSGNTGKSKEETLKNRVFSLKKSHSTYDHVRDQTEESSSLPTESQEEETTENSTLESLSGKKLTQKLKEDSEAESTESVPLVCKSASAHNLSSEKKTGHPRTSMLQKSLSVIASAKEKTLGLAGKTQTAGVEERTKSQKPLPKDKETNRNHSNSDNTETKDPAPQNSNPAEEPRKPQKSGIMKQQRVNPTTANSDLNPGTTQMKDNFDIGEVCPWEVYDLTPGPVPSESKVQKHVSIVASEMEKNPTFSLKEKSHHKPKAAEVCQQSNQKRIDKAEVCLWESQGQSILEDEKLLISKTPVLPERAKEENGGQPRAANVCAGQSEELPPKAVASKTENENLNQIGHQEKKTSSSEENVRGSYNSSNNFQQPLTSRAEVCPWEFETPAQPNAGRSVALPASSALSANKIAGPRKEEIWDSFKV
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......----1040......1050--------.......1060...-----...1070......1080........1090........1100......1110...-----...1120......1130......1140..-------....1150......-1160......1170-------.......---------..1180......1190......1200......1210..-----------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
MGA
M
A
Y
P
L
L
L
C
L
L
L
A
Q
LGLGAVGASRDPQGRPDSPRERTPKGKPHAQQP-----GRASASDSSAPWS------------RST
D
G
T
I
L
A
Q
K
L
A
E
EV
P
M
D
V
A
S
Y
L
YTGDSH
Q
L
KRA-NCSG------
R
Y
E
LAGLPGKW
P
-
A
L
A
SA
H
P
S
L
H
R
A
L
D
T
L
T
H
A
T
-----------------
N
F
L
N
V
M
L
QSNKSREQ
N
L
Q
D
D
L
D
W
Y
Q
A
L
V
W
S
L
LEG-EPSI
S
R
A
A
I
T
FST-DSLSAPA
P
Q
V
F
L
Q
A
TRE
E
S
R
I
L
L
Q
-
D
L
SSSAPHLANATL
E
------
T
E
W
F
H
G
L
R
R
K
W
--
R
P
H
LHRRGPNQGPRGLGHSWRR----KDGLGGDKS
H
F
KWSP
P
Y
L
EC--------ENGSYKP
G
W
L
V
T
L
S
S
A
I
YGLQPNL
V
P
E
FR
G
V
M
K
V
D
I
N
L
Q
K
V
D
I
D
QCSSDGWFSG
T
H
K
C
HLNNSE
C
M
PIK
G
L
G
F
V
L
G
A
Y
E
C
I
C
KAGFYHPGVL
P
V
N
N
---
F
RRRGPDQHISGSTKDVSEE
A
Y
V
C
L
PCREG--CPFCADD---SP
C
F
VQED
K
Y
L
R
L
A
I
I
S
F
Q
A
L
C
M
----
L
L
D
F
V
S
M
L
V
V
---
Y
H
F
R
K
A
KSIRAS
G
L
I
L
L
E
T
I
L
F
G
S
L
L
L
Y
F
P
-----
V
V
I
----
L
--
Y
F---EPS
T
F
R
C
I
L
L
R
W
A
R
L
L
G
F
-
A
-
T
V
Y
G
T
V
T
L
K
L
H
R
V
L
K
V
F
L
S
R
T
A
Q
RIPYMT
G
G
R
V
M
R
M
L
---------------
A
V
I
L
------------------
L
V
V
F
W
F
L
IG
W
T
---------------
S
S
V
C
Q
N
L
E
K
Q
I
------
S
L
IGQ--GKTSD
H
L
----
I
F
N
M
---
C
LIDR
W
D
Y
M
T
A
V
----
A
E
F
----
L
F
L
L
W
--
G
V
-
Y
-
L
C
Y
A
V
R
T
V
P
S
A
FHEP
R
---------
Y
M
A
V
A
VH
N
E
L
I
I
S
A
I
F
H
T
I
R
F
V
L
A
S
R
LQSD
W
M
L
M
----
L
Y
F
AH
T
H
------------
L
T
V
T
V
T
I
---
G
L
L
L
I
PKFSHSSNNPR
D
D
I
A
T
E
-------
A
Y
E
D
E
LDMGRSG
S
Y
L
N
S
S
I
N
S
A
W
SEHSL
D
P
E
D
I
R
D
E
L
K
K
----------
L
Y
A
Q
L
E
I
Y
K
R
KKMITNNP
H
L
Q
K
K
R
CSKKGL
G
R
S
I
M
R
R
I
T
E
I
P
E
T
V
S
R
Q
CSKEDKEGADHGTAK
G
T
A
L
I
RKNPPESS-----GNTGK
S
K
E
E
T
L
K
N
R
V
F
S
L
KKSHS
T
Y
D
H
V
R
DQTEESSSLPTES
Q
E
EETTENS
T
L
E
SLS
G
K
K
L
T
Q
K
L
KEDSEAESTES
V
P
L
V
CKSASA------HNLSSEKKTGH
P
R
T
S
M
-----
L
Q
K
S
L
S
V
I
A
SAKEKTLGLAGKTQTA
G
V
E
E
RTKSQKPLPKDKETNRNHSNSDNTETKDPAPQNSNPAEEP--RKP
Q
--
K
SGI
M
K
QQRVNP----TTANSD---LNPGTTQ-MKDNFDIGEVCP
W
------
E
V
YDLTPGPVP
S
E
S
K
V
Q
K
H
V
S
I
V
A
S
E
M
EKN----P
T
F
SLKEKSHHK
P
---------
K
A
A
E
V
C
Q
QS
N
Q
KRI-----
D
K
A
E
V
C
L
WESQ
G
Q
S
I
--LEDE
K
L
L
ISK--TPVL
P
E
R
AKEENGGQPRAANVCAGQ-----SEEL
P
P
K
A
VASKTENE
N
L
N
Q
IGHQEKKTS-------SSEEN
V
R
GSYNSSN-NFQQ
P
L
T
S
RAE----------VCPWEFE---------TPAQPNAG
R
S
V
ALPASSALSANKIAGP
R
K
E
E
I
W
D
SFKV-----------
36
Fugue
78.75
17%
5
- C4 -
4IGL
5
?
A:
[7-1485]
------
E
M
A
I
T
T
L
S
L
P
K
G
G
G
A
I
N
G
M
G
E
S
V
G
Q
A
G
------
P
D
G
M
V
T
F
S
I
P
LPFSA
G
R
G
V
A
P
A
L
S
L
S
Y
S
SGAGNGPFGMG
W
Q
C
S
A
M
S
I
S
R
R
T
Q
K
G
V
P
Q
Y
N
E
D
D
E
F
L
S
P
S
G
E
V
M
A
I
A
L
N
D
S
G
FED
V
R
T
A
N
R
L
Q
G
I
P
L
P
F
S
Y
K
V
T
R
Y
Q
P
R
L
I
Q
D
F
I
K
I
E
Y
W
Q
P
VKQTD
G
T
P
F
W
I
I
Y
S
PD
G
Q
T
H
I
L
G
K
N
S
H
S
R
V
A
N
A
E
N
P
---
S
Q
I
A
S
W
L
L
E
E
T
V
T
P
T
G
E
H
I
Y
Y
Q
Y
S
G
E
N
Q
V
N
C
T
D
A
E
I
A
L
H
P
Q
D
S
A
Q
R
Y
L
A
R
I
D
Y
G
N
I
S
P
Q
A
S
L
F
V
L
D
EELPNL
T
Q
W
L
F
H
L
V
F
D
Y
GE
R
D
I
S
I
N
K
I
P
T
F
E
G
G
T
T
G
W
L
A
R
P
D
M
F
S
R
Y
D
F
G
I
E
I
R
N
R
R
L
C
H
Q
V
L
G
F
H
R
L
E
A
L
N
D
R
D
V
T
D
E
I
P
V
L
V
N
R
L
T
L
D
Y
D
L
N
N
S
-
V
S
T
L
V
A
V
R
Q
V
A
Y
E
T
D
G
S
P
I
T
Q
P
P
L
E
F
D
Y
Q
R
F
D
T
G
S
I
P
G
W
Q
E
M
P
Q
L
E
A
F
N
G
Y
Q
P
Y
Q
M
I
D
L
Y
G
E
G
T
P
G
I
L
Y
Q
E
T
PG
A
W
W
Y
K
S
P
Q
R
Q
I
G
G
D
S
N
A
V
T
Y
G
A
M
K
A
L
P
---
K
--
I
P
R
L
E
G
A
---
T
L
M
D
I
N
G
D
G
R
L
D
W
V
I
T
S
A
G
V
R
G
F
HSIE
W
T
H
F
T
P
L
N
T
L
PTE
Y
F
H
P
K
A
Q
L
A
D
L
V
G
A
G
L
S
D
L
V
L
I
G
------
P
-----
K
S
V
----
R
--
L
Y
---
A
N
Q
N
V
S
L
P
V
I
G
S
R
Q
L
V
A
F
-
A
-
D
M
L
G
S
---
G
Q
Q
H
L
V
E
I
T
-
A
D
S
V
K
C
W
P
N
M
G
H
G
R
F
G
Q
P
L
T
L
E
GFSQPQTSFNPD
R
V
F
L
A
DIDGSG
T
N
D
I
I
Y
A
H
SE
C
L
E
I
Y
L
N
E
S
G
N
R
FSK
P
I
S
L
L
L
P
DG
V
N
F
D
N
T
C
Q
L
Q
A
A
D
I
QGLG
I
A
S
L
V
M
T
V
P
H
M
S
P
T
H
W
----
R
C
D
L
---
A
L
N
K
P
W
L
L
N
V
M
N
NNRG
A
E
T
----
C
L
F
Y
R
S
S
A
Q
-
F
-
W
L
D
E
K
Q
L
V
E
A
A
G
Q
Q
P
E
C
HLP
F
P
M
H
L
H
W
R
S
E
I
F
D
E
I
T
G
N
R
L
T
Q
E
Q
E
Y
A
H
G
S
W
D
G
Q
E
R
E
F
R
GFG
R
L
I
Q
R
D
T
D
G
F
AQGTVDIP
T
H
P
S
R
T
V
S
W
F
A
T
G
I
P
E
I
D
T
T
L
S
A
E
F
W
R
G
D
D
Q
A
F
S
P
F
S
P
R
F
T
R
W
E
D
S
-
E
A
G
S
D
V
A
F
I
P
S
E
H
D
A
F
W
L
N
R
A
M
K
G
Q
L
L
R
S
E
L
Y
G
DDGTPEAEIP
Y
S
V
T
E
M
R
H
Q
V
R
A
L
P
T
T
D
A
T
V
P
S
A
W
C
S
T
I
E
T
R
S
Y
Q
Y
Q
R
V
A
A
D
P
Q
C
S
Q
Q
V
V
I
K
A
D
R
Y
G
S
P
L
L
S
V
A
I
N
Y
P
R
R
K
K
P
E
K
S
P
YPDDL
P
E
T
L
F
D
S
S
Y
D
T
Q
Q
Q
Q
L
H
L
T
K
Q
Q
Q
N
Y
F
H
L
T
N
D
D
N
W
L
L
G
L
P
K
E
Q
R
N
D
G
Y
Q
Y
D
Q
E
R
A
P
A
N
G
F
T
L
E
T
L
I
A
S
N
S
L
I
G
S
N
Q
P
F
T
Y
L
G
Q
S
R
V
A
Y
Q
GGVD
E
Q
P
S
L
Q
A
L
V
A
Y
G
E
T
A
I
L
DEKT
L
Q
A
F
V
G
V
L
D
S
K
T
R
D
E
L
L
F
S
A
G
Y
Q
L
A
P
R
L
F
R
V
E
S
E
P
D
V
W
V
A
R
Q
--
G
Y
S
E
F
G
D
Y
S
Q
F
W
R
P
L
S
Q
R
S
T
L
L
T
G
K
--
T
T
L
K
W
D
K
H
Y
C
V
V
I
E
T
Q
D
A
AQ
L
V
T
Q
A
R
Y
D
YRF
L
T
P
Y
S
L
T
D
A
N
D
N
Q
H
Y
V
V
L
N
P
F
GEVI
A
S
R
F
W
G
T
E
A
G
K
D
A
G
Y
S
T
P
Q
A
K
P
F
V
V
P
A
T
I
E
A
A
L
A
LS
P
G
I
P
V
A
H
C
A
I
F
E
P
ESWM
Q
K
L
T
Q
H
D
V
S
E
R
M
A
D
N
G
T
L
W
-----
N
A
L
L
Q
A
R
F
V
T
E
D
G
Y
V
C
A
L
G
R
R
R
W
M
A
R
H
G
L
S
V
L
M
L
T
L
L
A
E
I
P
R
T
P
P
H
S
L
T
I
T
T
D
R
YDSDD
Q
Q
Q
L
R
Q
R
I
L
F
S
D
G
F
G
R
L
L
Q
S
A
Q
R
V
E
A
G
E
S
W
Q
R
S
EDS
S
L
V
V
N
V
S
G
T
P
A
L
V
V
T
D
N
R
W
A
V
S
G
R
T
E
Y
D
GKGQGI
R
V
Y
Q
P
Y
F
L
D
DWRYLS
D
D
S
A
R
T
D
L
F
A
D
T
H
I
Y
D
P
L
G
R
E
Y
Q
V
I
T
A
K
G
Y
R
R
E
R
Q
Y
T
P
W
F
V
V
N
Q
D
ENDTAAN
35
Fugue
57.78
18%
-109
- C7 -
4OR2
9
C562_ECOLX (first)
A:
[5-372]
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
L
E
D
N
W
E
T
L
N
D
N
L
K
V
I
E
K
A
D
-
N
A
A
Q
V
K
D
A
L
T
K
M
R
A
A
A
L
D
A
Q
K
A
T
P
P
K
L
E
D
K
S
P
D
S
P
E
M
K
D
F
R
H
G
F
D
I
L
V
G
Q
I
D
D
---
A
L
K
L
A
N
E
----
G
K
V
K
E
A
Q
A
A
A
E
Q
L
K
T
T
R
N
A
--
Y
I
Q
K
Y
L
I
---
P
V
R
Y
L
E
W
S
N
I
E
S
I
I
A
I
A
F
S
C
L
G
I
----
L
V
T
L
F
V
T
L
I
F
---
V
L
Y
R
D
T
P
V
V
K
S
S
S
R
E
L
C
Y
I
I
L
A
G
I
F
L
G
Y
V
C
-----
P
F
T
----
L
--
I
A
---
K
P
T
T
T
S
C
Y
L
Q
R
L
L
V
G
L
S
S
-
A
-
M
C
Y
S
A
L
V
T
K
T
N
R
I
A
R
I
L
A
R
K
P
R
F
M
S
A
W
A
Q
V
I
I
A
S
I
L
I
---------------
S
V
Q
L
------------------
T
L
V
V
T
L
I
I
M
E
P
---------------
P
M
P
I
L
S
-------------------
Y
P
S
I
K
E
----
V
Y
L
I
---
C
N
T
S
N
L
G
V
V
A
P
L
----
G
Y
N
----
G
L
L
I
M
--
S
C
T
Y
-
Y
A
F
K
T
R
N
V
P
A
N
F
N
E
A
K
---------
Y
I
A
F
T
M
Y
T
T
C
I
I
W
L
A
F
V
P
I
Y
F
G
------
S
N
Y
K
I
I
----
T
T
C
F
A
V
S
------------
L
S
V
T
V
A
L
---
G
C
M
F
T
P
K
M
Y
I
I
I
A
K
P
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
53.60
23%
-127
- C7 -
4OR2
8
C562_ECOLX (first)
A:
[126-372]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
A
F
S
C
L
G
I
----
L
V
T
L
F
V
T
L
I
F
---
V
L
Y
R
D
T
P
V
V
K
S
S
S
R
E
L
C
Y
I
I
L
A
G
I
F
L
G
Y
V
C
-----
P
F
T
----
L
--
I
A
---
K
P
T
T
T
S
C
Y
L
Q
R
L
L
V
G
L
S
S
-
A
-
M
C
Y
S
A
L
V
T
K
T
N
R
I
A
R
I
L
A
-----
R
K
P
R
F
M
S
A
W
A
Q
V
I
I
---------------
A
S
I
L
------------------
I
S
V
----------------------------
Q
L
T
L
V
V
------
T
L
I
I
M
--
E
P
P
M
P
I
L
S
Y
PS
I
K
E
V
---
Y
L
I
C
N
T
S
N
L
G
V
V
----
A
P
L
G
Y
N
G
L
L
I
M
S
--
C
T
-
Y
-
Y
A
F
K
T
R
N
V
P
A
N
F
N
E
A
K
---------
Y
I
A
F
T
M
Y
T
T
C
I
I
W
L
A
F
V
P
I
Y
F
------
G
S
N
Y
K
I
I
----
T
T
C
F
A
V
S
------------
L
S
V
T
V
A
L
---
G
C
M
F
T
P
K
M
Y
I
I
I
A
K
P
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
41.00
10%
-87
- C4 -
4CAD
1
RCE1_METMP
C:
[8-269]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
P
K
L
Y
F
L
S
T
F
V
V
T
Y
I
L
W
F
-----
T
G
A
----
Y
--
L
S
---
F
S
S
T
Y
S
G
I
Y
M
L
I
M
L
P
G
L
M
-
A
-
P
F
I
I
S
T
I
L
I
A
K
K
K
D
F
I
N
R
L
F
N
L
K
L
I
N
L
K
T
I
P
V
V
F
L
L
M
---------------
P
A
V
I
------------------
L
L
S
I
L
L
S
I
P
F
G
---------------
G
S
I
S
Q
F
Q
F
S
G
----------
G
D
--
F
V
P
V
L
F
L
----
L
L
L
A
---
A
T
F
E
E
L
G
W
R
G
Y
A
----
F
D
S
----
L
Q
S
R
Y
--
S
L
-
F
K
A
S
I
L
F
G
I
F
W
S
L
W
H
F
P
L
---------
I
F
V
N
N
S
Y
Q
Y
E
I
F
N
Q
S
I
W
Y
G
L
N
F
F
L
S
I
L
P
M
G
I
I
I
T
----
W
M
C
L
K
N
R
------------
K
S
I
I
L
A
I
---
I
F
H
F
L
I
N
L
N
Q
E
L
L
A
I
T
Q
D
T
K
I
I
-------
E
T
G
V
L
F
L
V
A
A
A
I
I
L
Y
D
K
K
M
F
F
E
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
8
PsiBlast_PDB
40.65
26%
-8
- C7 -
3UU5
5
GLIC_GLOVI
A:
[205-275]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
I
L
------------------
P
M
L
F
I
L
F
I
S
W
T
---------------
A
F
W
S
T
S
Y
E
A
N
V
------
T
L
V
V
S
--
T
L
I
A
-
H
I
----
A
F
N
I
L
V
E
C
N
L
P
K
T
P
Y
M
T
Y
T
----
G
A
I
----
I
F
M
-----
I
-
Y
-
L
F
Y
F
V
A
V
I
E
V
T
V
Q
H
Y
L
---------
K
V
E
S
Q
P
A
R
A
A
S
I
T
R
A
S
R
I
A
F
P
V
V
F
L
L
A
N
I
I
L
A
F
L
----
F
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
6
PsiBlast_PDB
40.07
26%
98
- C6 -
4CUF
4
A:
[4-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
D
E
C
S
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
I
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
V
S
N
P
C
Q
N
D
A
S
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VH
C
E
V
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
L
D
K
I
N
E
F
Q
C
E
C
P
T
G
----
F
T
G
H
L
C
Q
V
D
L
---
H
H
I
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
39.30
26%
97
- C6 -
4CUE
3
?
A:
[4-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
D
E
C
S
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
I
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
V
S
N
P
C
Q
N
D
A
V
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VH
C
E
V
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
L
D
K
I
N
E
F
Q
C
E
C
P
T
G
----
F
T
G
H
L
C
Q
V
D
L
---
H
H
I
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
15
PsiBlast_PDB
39.19
25%
98
- C6 -
4XL1
8
NOTC1_RAT
A:
[4-90]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
E
C
A
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
L
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
I
S
N
P
C
Q
N
D
A
T
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VY
C
E
I
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
V
D
K
I
N
E
F
L
C
Q
C
P
K
G
----
F
S
G
H
L
C
Q
S
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
39.15
26%
95
- C6 -
4D0E
4
A:
[4-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
D
E
C
S
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
I
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
V
S
N
P
C
Q
N
D
A
T
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VH
C
E
V
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
L
D
K
I
N
E
F
Q
C
E
C
P
T
G
----
F
T
G
H
L
C
Q
V
D
L
---
H
H
I
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
5
PsiBlast_PDB
38.85
26%
93
- C6 -
4D0F
4
A:
[4-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
D
E
C
S
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
I
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
V
S
N
P
C
Q
N
D
A
A
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VH
C
E
V
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
L
D
K
I
N
E
F
Q
C
E
C
P
T
G
----
F
T
G
H
L
C
Q
V
D
L
---
H
H
I
L
D
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
7
PsiBlast_PDB
38.21
26%
-3
- C7 -
3UU3
1
GLIC_GLOVI
A:
[205-275]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
I
I
L
------------------
P
M
L
F
I
L
F
I
S
W
T
---------------
A
F
W
S
T
S
Y
E
A
N
V
------
T
L
V
V
S
--
T
L
I
A
-
H
I
----
A
F
N
I
L
V
E
C
N
L
P
K
T
P
Y
M
T
Y
T
----
G
A
I
----
I
F
M
-----
I
-
Y
-
L
F
Y
F
V
A
V
I
E
V
T
V
Q
H
Y
L
---------
K
V
E
S
Q
P
A
R
A
A
S
I
T
R
A
S
R
I
A
F
P
V
V
F
L
L
A
N
I
I
L
A
F
L
----
F
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
37.88
26%
102
- C6 -
4CUD
4
?
A:
[4-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
D
E
C
S
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
I
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
V
S
N
P
C
Q
N
D
A
T
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VH
C
E
V
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
L
D
K
I
N
E
F
Q
C
E
C
P
T
G
----
F
T
G
H
L
C
Q
V
D
L
---
H
H
I
L
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
10
PsiBlast_PDB
37.81
26%
89
- C6 -
2VJ3
5
A:
[4-92]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
D
E
C
S
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
I
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
V
S
N
P
C
Q
N
D
A
T
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VH
C
E
V
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
L
D
K
I
N
E
F
Q
C
E
C
P
T
G
----
F
T
G
H
L
C
Q
V
D
L
---
H
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
21
HHSearch
37.66
16%
13
* C5 *
3LIC
1
?
A:
[58-173]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
L
K
T
V
L
T
N
R
I
Q
R
-
N
P
D
F
F
G
S
A
I
A
F
K
P
-
N
T
F
-
P
N
K
K
L
F
S
P
Y
V
Y
R
S
G
S
G
F
N
Y
L
-
D
I
G
A
D
G
Y
D
Y
T
D
G
N
W
----------------
D
W
--
W
S
K
A
---------------------------
I
N
Q
V
G
G
Y
W
S
K
A
Y
F
D
E
--------
G
A
G
---
N
V
L
M
I
T
Y
A
V
P
F
G
V
-----
Q
P
D
Y
F
G
V
T
T
V
D
L
A
L
D
R
L
P
E
Q
L
G
I
A
P
S
R
L
V
V
L
D
D
Q
G
R
L
I
F
H
S
D
K
E
K
V
L
A
G
W
L
D
K
Q
N
I
K
N
I
A
F
A
T
L
L
N
D
G
Q
A
G
Q
---
A
S
F
V
D
D
K
G
T
V
Y
L
A
S
V
A
E
V
A
K
L
K
W
R
V
V
V
M
V
P
--
K
H
E
L
F
A
S
---
L
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
38
Fugue
37.45
14%
356
- C7 -
1DEB
-
APC_HUMAN
A:
[1-54]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
A
A
A
S
Y
D
Q
L
L
K
Q
V
E
A
L
K
M
E
N
S
N
L
R
Q
E
L
E
D
N
S
N
H
L
T
K
L
E
T
E
A
S
N
M
K
E
V
L
K
Q
L
Q
G
S
I
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
37.17
25%
151
- C2 -
2ADZ
-
SNTA1_MOUSE
A:
[42-174]
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
S
P
A
D
G
E
P
G
P
E
P
E
P
A
Q
L
N
G
A
A
E
P
GA
A
P
P
Q
L
-
P
E
A
L
L
L
Q
R
E
V
S
P
----
Y
F
K
N
S
------
A
G
G
T
S
-
V
--
G
W
D
S
P
P
A
S
P
L
------
Q
R
Q
P
S
S
P
G
P
Q
P
R
N
L
S
E
A
K
H
V
S
L
K
M
A
Y
V
S
R
R
----
C
T
P
T
D
P
E
-----
P
---------
R
Y
L
E
I
C
A
A
D
G
Q
D
A
V
F
L
R
A
K
D
E
A
S
A
R
S
W
A
G
A
I
Q
A
Q
--
I
G
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
36.99
12%
-64
- C7 -
3ODU
4
CXCR4_HUMAN (first)
A:
[52-150]
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
I
Y
S
I
I
F
L
T
G
I
----
V
G
N
G
L
V
I
L
V
M
---
G
Y
Q
K
K
L
R
--
S
M
T
D
K
Y
R
L
H
L
S
V
A
D
L
L
F
V
-
I
T
-----
L
P
F
W
A
V
D
A
V
A
N
W
---
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
-
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
R
K
L
L
A
E
K
V
V
Y
V
G
---------------
V
W
I
P
------------------
A
L
L
L
T
I
P
D
F
I
F
---------------
A
N
V
S
E
A
D
D
R
Y
I
------
C
D
R
F
Y
--
P
N
D
L
W
V
V
----
V
F
Q
F
---
Q
H
I
M
V
G
L
I
L
P
G
I
----
V
I
L
----
S
C
Y
C
I
--
I
I
-
S
-
K
L
S
H
S
G
S
N
I
F
E
M
L
R
I
D
---------
E
G
L
R
L
K
I
Y
K
D
T
E
G
Y
Y
T
I
G
I
G
H
L
L
T
K
S
P
S
L
N
A
A
K
S
----
E
L
D
K
A
I
G
------------
R
N
T
N
G
V
I
---
T
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
-------
N
A
K
L
K
P
V
Y
D
S
L
D
A
V
R
R
A
A
L
I
N
M
V
F
Q
M
G
E
T
G
V
A
G
F
T
N
S
L
R
----------
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
G
T
W
D
A
Y
G
S
K
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
-----
D
S
F
I
L
L
E
I
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
F
L
G
A
K
F
K
T
S
A
Q
H
A
L
T
S
G
R
P
L
E
V
L
F
Q
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
22
HHSearch
36.82
4%
-61
- C7 -
2Z73
5
OPSD_TODPA
A:
[35-140]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Y
S
L
G
I
F
I
G
I
C
G
I
I
G
C
----
G
G
N
G
I
V
I
Y
L
F
---
T
K
T
K
S
L
Q
--
T
P
A
N
M
F
I
I
N
L
A
F
S
D
F
T
F
S
L
V
N
G
FP
L
M
T
I
S
----
C
--
F
L
KKW
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
-
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
M
S
H
R
R
A
F
I
M
I
I
F
---------------
V
W
L
W
------------------
S
V
L
W
A
I
G
P
I
F
G
---------------
W
G
A
Y
T
L
E
G
V
L
C
------
N
C
S
F
D
--
Y
I
S
R
D
S
T
----
T
R
S
N
---
I
L
C
M
F
I
L
G
F
F
G
P
----
I
L
I
----
I
F
F
C
Y
--
F
N
-
I
-
V
M
S
V
S
N
H
E
K
E
M
A
A
M
A
K
---------
R
L
N
A
K
E
L
R
K
A
Q
A
G
A
N
A
E
M
R
L
A
K
I
S
I
V
I
V
S
Q
F
L
L
S
----
W
S
P
Y
A
V
V
------------
A
L
L
A
Q
F
G
---
P
L
E
W
V
T
P
Y
A
A
Q
L
P
V
M
F
A
K
A
S
A
I
-------
H
N
P
M
I
Y
S
V
S
H
P
K
F
R
E
A
I
S
Q
T
F
P
W
V
L
T
C
C
Q
F
D
D
K
E
T
E
D
D
K
----------
D
A
E
T
E
I
P
A
G
E
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
9
PsiBlast_PDB
36.82
26%
73
- C6 -
1TOZ
-
NOTC1_HUMAN
A:
[412-500]
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
V
D
E
C
S
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
I
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
V
S
N
P
C
Q
N
D
A
T
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VH
C
E
V
N
T
D
E
CAS
S
P
C
L
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
16
PsiBlast_PDB
36.73
25%
90
- C6 -
4XLW
7
NOTC1_RAT
A:
[3-89]
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
D
E
C
A
L
-----
G
A
N
P
C
E
-
H
A
G
K
C
L
N
------
T
L
G
S
F
E
C
Q
C
L
Q
G
Y
T
G
P
R
C
E
I
D
V
N
---
E
C
I
S
N
P
C
Q
N
D
A
T
C
L
D
Q
I
G
E
F
Q
C
I
C
M
P
G
Y
E
G
VY
C
E
I
N
T
D
E
CAS
S
P
C
L
H
N
G
R
C
V
D
K
I
N
E
F
L
C
Q
C
P
K
G
----
F
S
G
H
L
C
Q
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------