Predicted ligand sequences


ADAN-name: 1JBP2.PDB (view again the scoring matrix)

PDB name: [1JBP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R A S I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
 A
A
 A
A
A
A
 A
G
A
A
 G
A
A
A
A
 A A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 11.680 ΔGbinding -34.471
TOTAL
 -22.791
Backbone Hb -7.125 Cis_bond 0.000
Sidechain Hb -15.425 Torsional clash 2.461
Van der Waals -19.382 Backbone clash 1.217
Electrostatics -13.784 Helix dipole 0.027
Solvation Polar 29.633 Water bridges -0.725
Solvation Hyd -22.652 Disulfide 0.000
VdW clashes 0.811 Electrost. Kon -5.788
Entropy sc 10.575 Part.cov.bonds 0.000
Entropy mc

6.903

 ΔGstability

9.395
       

Predicted ligand sequences for template [1JBP2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  1JBP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yWRDFFRHRRWRRRRRKFFY 0.0
2 yWRsFFRHRRWRRRRRKFFY 0.0
3 yWRpFFRHRRWRRRRRKFFY 0.01
4 yWRDFFRHRRWRRRRRKFNY 0.01
5 yWRsFFRHRRWRRRRRKFNY 0.01
6 yWRpFFRHRRWRRRRRKFNY 0.02
7 yWRDFFRRRRWRRRRRKFFY 0.02
8 yWRsFFRRRRWRRRRRKFFY 0.02
9 yWRpFFRRRRWRRRRRKFFY 0.03
10 yWRpFFRKRRWRRRRRKFFY 0.04
11 yWRDFFRKRRWRRRRRKFFY 0.04
12 yWRpFFRRRRWRRRRRKFNY 0.04
13 yWRDFFRRRRWRRRRRKFNY 0.04
14 yWRsFFRRRRWRRRRRKFNY 0.04
15 yWRsFFRKRRWRRRRRKFFY 0.04
16 yWRDFFRKRRWRRRRRKFNY 0.05
17 yWRsFFRKRRWRRRRRKFNY 0.05
18 yWRsFFRHRRRRRRRRKFFY 0.06
19 yWRDFFRHRRRRRRRRKFFY 0.06
20 yWRpFFRKRRWRRRRRKFNY 0.06
21 yWRsWFRHRRWRRRRRKFFY 0.07
22 yWRpFFRHRRRRRRRRKFFY 0.07
23 yWRDWFRHRRWRRRRRKFFY 0.07
24 yWRsFFRHRRRRRRRRKFNY 0.08
25 yWRDFFRHRRRRRRRRKFNY 0.08
26 yWWDFFRHRRWRRRRRKFFY 0.08
27 yWRpFFRHRRRRRRRRKFNY 0.08
28 yWRDFFRRRRRRRRRRKFFY 0.08
29 yWWsFFRHRRWRRRRRKFFY 0.08
30 yWRsFFRRRRRRRRRRKFFY 0.08
31 yWRpWFRHRRWRRRRRKFFY 0.08
32 yWWpFFRHRRWRRRRRKFFY 0.09
33 yWRsFFRHRRWRKRRRKFFY 0.09
34 yWRDWFRHRRWRRRRRKFNY 0.09
35 yWRpWFRHRRWRRRRRKFNY 0.09
36 yWRsWFRHRRWRRRRRKFNY 0.09
37 yWRpFFRRRRRRRRRRKFFY 0.09
38 yWRDFFRHRRWRKRRRKFFY 0.09
39 yWRDFFRRRRRRRRRRKFNY 0.1
40 yWWsFFRHRRWRRRRRKFNY 0.1
41 yWRsFFRRRRRRRRRRKFNY 0.1
42 yWRpFFRHRRWRKRRRKFFY 0.1
43 yWRsFFRKRRRRRRRRKFFY 0.1
44 yWRsWFRRRRWRRRRRKFFY 0.1
45 yWRpWFRRRRWRRRRRKFFY 0.1
46 yWRDFFRKRRRRRRRRKFFY 0.1
47 yWRpFFRKRRRRRRRRKFFY 0.1
48 yWRpFFRRRRRRRRRRKFNY 0.1
49 yWWpFFRHRRWRRRRRKFNY 0.1
50 yWWDFFRHRRWRRRRRKFNY 0.1
51 yWRDWFRRRRWRRRRRKFFY 0.1
52 yWRsWFRKRRWRRRRRKFFY 0.11
53 yWRsFFRHRRWRHRRRKFFY 0.11
54 yWRDWFRKRRWRRRRRKFFY 0.11
55 yWRDWFRRRRWRRRRRKFNY 0.11
56 yWWsFFRRRRWRRRRRKFFY 0.11
57 yWRDFFRHRRWRKRRRKFNY 0.11
58 yWWpFFRRRRWRRRRRKFFY 0.11
59 yWRsWFRRRRWRRRRRKFNY 0.11
60 yWRDFFRKRRRRRRRRKFNY 0.11
61 yWWDFFRRRRWRRRRRKFFY 0.11
62 yWRsFFRHRRWRKRRRKFNY 0.11
63 yWRpFFRHRRWRKRRRKFNY 0.11
64 yWRsFFRKRRRRRRRRKFNY 0.11
65 yWRDFFRHRRWRHRRRKFFY 0.11
66 yWWsFFRRRRWRRRRRKFNY 0.12
67 yWRpWFRRRRWRRRRRKFNY 0.12
68 yWRsFFRRRRWRKRRRKFFY 0.12
69 yWRpFFRHRRWRHRRRKFFY 0.12
70 yWWpFFRRRRWRRRRRKFNY 0.12
71 yWWsFFRKRRWRRRRRKFFY 0.12
72 yWWDFFRKRRWRRRRRKFFY 0.12
73 yWRDFFRRRRWRKRRRKFFY 0.12
74 yWRpWFRKRRWRRRRRKFFY 0.12
75 yWRpFFRRRRWRKRRRKFFY 0.12
76 yWWDFFRRRRWRRRRRKFNY 0.12
77 yWRpFFRKRRRRRRRRKFNY 0.12
78 yWRpFFRRRRWRKRRRKFNY 0.13
79 yWRDFFRRRRWRKRRRKFNY 0.13
80 yWRDFFRHRRWRHRRRKFNY 0.13
81 yWRDFFRHRRWRRRRRKFFW 0.13
82 yWRDFFRRRRWRHRRRKFFY 0.13
83 yWRsFFRKRRWRKRRRKFFY 0.13
84 yWRsFFRRRRWRKRRRKFNY 0.13
85 yWRsFFRHRRWRRRRRKFFW 0.13
86 yWRpWFRKRRWRRRRRKFNY 0.13
87 yWRsWFRKRRWRRRRRKFNY 0.13
88 yWRsFFRHRRWRHRRRKFNY 0.13
89 yWRDFFRKRRWRKRRRKFFY 0.13
90 yWRsFFRRRRWRHRRRKFFY 0.13
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yWRDFFRHRRRRRRRRKFFY

9.57

-43.2

-33.63
2 yWRDFFRRRRWRRRRRKFFY

10.42

-42.96

-32.54
3 yWRpFFRRRRWRRRRRKFFY

10.01

-41.57

-31.56
4 yWRsFFRHRRWRRRRRKFFY

10.42

-41.7

-31.28
5 yWRsFFRRRRWRRRRRKFFY

11.22

-42.26

-31.04
6 yWRpFFRKRRWRRRRRKFFY

13.01

-43.7

-30.69
7 yWWDFFRHRRWRRRRRKFFY

10.06

-40.56

-30.5
8 yWRDFFRKRRWRRRRRKFNY

8.8

-39.01

-30.21
9 yWRsFFRHRRWRRRRRKFNY

8.98

-38.79

-29.81
10 yWRDFFRHRRWRRRRRKFNY

9.41

-39.2

-29.79
11 yWRsFFRRRRWRRRRRKFNY

10.11

-39.61

-29.5
12 yWRDFFRHRRWRRRRRKFFY

9.67

-38.71

-29.04
13 yWRpFFRRRRWRRRRRKFNY

9.25

-37.86

-28.61
14 yWRDFFRRRRRRRRRRKFFY

10.01

-38.43

-28.42
15 yWRsFFRHRRRRRRRRKFFY

13.09

-40.4

-27.31
16 yWRpFFRHRRWRRRRRKFFY

11.59

-37.81

-26.22
17 yWRpFFRHRRWRRRRRKFNY

9.17

-34.74

-25.57
18 yWRpFFRKRRWRRRRRKFNY

11.29

-36.66

-25.37
19 yWRsWFRHRRWRRRRRKFFY

10.36

-35.63

-25.27
20 yWRsFFRHRRRRRRRRKFNY

11.52

-35.95

-24.43
21 yWRsFFRRRRRRRRRRKFFY

11.25

-34.4

-23.15
22 yWRsFFRKRRWRRRRRKFNY

9.2

-31.85

-22.65
23 yWRDWFRHRRWRRRRRKFFY

11.77

-33.96

-22.19
24 yWRpFFRHRRRRRRRRKFFY

11.74

-33.59

-21.85
25 yWRDFFRKRRWRRRRRKFFY

12.09

-33.05

-20.96
26 yWRpFFRHRRRRRRRRKFNY

12.3

-32.75

-20.45
27 yWWsFFRHRRWRRRRRKFFY

19.26

-38.83

-19.57
28 yWRDFFRRRRWRRRRRKFNY

17.23

-36.8

-19.57
29 yWRDFFRHRRRRRRRRKFNY

10.22

-29.33

-19.11
30 yWRsFFRKRRWRRRRRKFFY

14.95

-33.35

-18.4

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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