@TOME V2.3
(Mar 2018)
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
]
Modeled complexes Tab:
Displays
the 10 best
the 20 best
All
ligands Score after transfer from template to
Tito
Scwrl (Raw)
Scwrl (All SChains of Binding Site Recalculated)
Scwrl (Unconserved SChains of Binding Site Recalculated)
Modeller
model
Cell color: RMS between binding site of experimental template and receptor model:
[
‹ 3Å
|
‹ 10Å
|
› 10Å
]
Result:
pKd
Quality
PSim.
[
Good
|
Correct
|
Acceptable
| Bad | Empty = ligand not selected during the calculation step or result rejected ]
Query sequence : ITK_HUMAN: (2017-06-02 )
WYNKSISRDKAEKLLLDTGKEGAFMVRDSRTAGTYTVSVFTKAVVSENNPCIKHYHIKETNDNPKRYYVAEKYVFDSIPLLINYH
Atome Classification :
(20 SA)
Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model
(Only selected ligand are displayed)
(Atome)
(Ident)
(Tito)
(Num)
(pKd)
(Uniprot)
ACE_B_4
(2EU0)
[Raw transfer]
CIT_A_2
(3S9K)
[Raw transfer]
CIT_A_2
(3S9K)
[Raw transfer]
CHAIN_B_2
(2ETZ)
[Raw transfer]
-
CHAIN_B_2
(2EU0)
[Raw transfer]
-
NH2_B_5
(2EU0)
[Raw transfer]
3
PsiBlast_PDB
88.01
92%
-119
- C2 -
2ETZ
2.4
1
PsiBlast_PDB
87.09
92%
-135
- C2 -
2K79
Calc...
?
2
PsiBlast_PDB
86.99
92%
-138
- C2 -
2K7A
Calc...
?
6
PsiBlast_PDB
85.77
92%
-99
- C2 -
1LUK
Calc...
4
PsiBlast_PDB
85.26
92%
-114
- C2 -
2EU0
3.4
7
PsiBlast_PDB
83.79
92%
-101
- C2 -
1LUM
Calc...
8
PsiBlast_PDB
83.34
92%
-98
- C2 -
1LUN
Calc...
5
PsiBlast_PDB
83.09
92%
-94
- C2 -
1LUI
Calc...
11
PsiBlast_PDB
75.57
54%
-140
- C2 -
2DM0
Calc...
194
HHSearch
73.89
52%
-175
- C2 -
2EKX
Calc...
201
HHSearch
73.52
91%
-54
- C2 -
3S9K
2.4
10
PsiBlast_PDB
73.29
51%
-175
- C2 -
2EKX
-
-
9
PsiBlast_PDB
72.42
92%
-63
- C2 -
3S9K
2.4
207
HHSearch
65.47
25%
-196
- C2 -
2EOB
Calc...
12
PsiBlast_PDB
64.42
50%
-106
- C2 -
2GE9
Calc...
197
HHSearch
62.84
34%
-67
- C2 -
1KA6
Calc...
SH21A_HUMAN
198
HHSearch
62.49
36%
-70
- C2 -
1JU5
Calc...
CRK_HUMAN
199
HHSearch
61.94
33%
-80
- C2 -
2YSX
Calc...
SHIP1_HUMAN
206
HHSearch
60.34
30%
-113
- C2 -
2Y3A
Calc...
204
HHSearch
59.66
25%
-89
- C2 -
1I3Z
Calc...
SH21B_MOUSE
