Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-5.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
A
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 1.688 ΔGbinding 1.425
TOTAL
 3.113
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.504
Van der Waals -5.293 Backbone clash 0.051
Electrostatics 0.002 Helix dipole 0.000
Solvation Polar 5.198 Water bridges -0.000
Solvation Hyd -7.671 Disulfide 0.000
VdW clashes 3.874 Electrost. Kon -0.053
Entropy sc 1.103 Part.cov.bonds 0.000
Entropy mc

4.036

 ΔGstability

17.580
       

Predicted ligand sequences for model [ABP1_1JO8-5.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).
 
  ABP1_1JO8-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RIYRRPRPHF 0.0
2 RIYRRPRPHR 0.01
3 RIYRRPRPHH 0.13
4 RIRRRPRPHF 0.2
5 RIRRRPRPHR 0.21
6 RIYRRPRPKF 0.22
7 RIYRRPRPKR 0.24
8 RIYRRPRDHF 0.26
9 RIYRRPRDHR 0.27
10 RIYRRPRHHF 0.29
11 RIYRRPRHHR 0.31
12 RIRRRPRPHH 0.33
13 RIYRRPRPKH 0.35
14 RIYRRPRDHH 0.39
15 RIRRRPRPKF 0.42
16 RIYRRPRHHH 0.42
17 RIYRKPRPHF 0.42
18 RIRRRPRPKR 0.43
19 RIYRKPRPHR 0.43
20 RIYWRPRPHF 0.46
21 RIRRRPRDHF 0.46
22 RKYRRPRPHF 0.46
23 RIRRRPRDHR 0.47
24 RKYRRPRPHR 0.47
25 RIYWRPRPHR 0.48
26 RIYRRPRDKF 0.48
27 RIRRRPRHHF 0.49
28 RIRRRPRHHR 0.5
29 RIYRRPRDKR 0.5
30 RIYRRPRHKF 0.52
31 RIYRRPRHKR 0.53
32 RIRRRPRPKH 0.55
33 RIYRKPRPHH 0.55
34 RIYWRPRPHH 0.59
35 RIRRRPRDHH 0.59
36 RKYRRPRPHH 0.59
37 RIYRRPRDKH 0.61
38 RIRRRPRHHH 0.62
39 RIRRKPRPHF 0.62
40 RIRRKPRPHR 0.63
41 RIYRKPRPKF 0.65
42 RIYRRPRHKH 0.65
43 RIRWRPRPHF 0.66
44 RKRRRPRPHF 0.66
45 RIYRKPRPKR 0.66
46 RIRWRPRPHR 0.67
47 RKRRRPRPHR 0.67
48 RIYRKPRDHF 0.68
49 RKYRRPRPKF 0.68
50 RIRRRPRDKF 0.68
51 RIYWRPRPKF 0.69
52 RIRRRPRDKR 0.69
53 RIYWRPRPKR 0.7
54 RKYRRPRPKR 0.7
55 RIYRKPRDHR 0.7
56 RIRRRPRHKF 0.71
57 RIYWRPRDHF 0.72
58 RKYRRPRDHF 0.72
59 RIYRKPRHHF 0.72
60 RIRRRPRHKR 0.72
61 RKYRRPRDHR 0.73
62 RIYRKPRHHR 0.73
63 RIYWRPRDHR 0.74
64 RKYRRPRHHF 0.75
65 RIRRKPRPHH 0.75
66 RIYWRPRHHF 0.76
67 RKYRRPRHHR 0.77
68 RIYWRPRHHR 0.77
69 RIYRKPRPKH 0.78
70 RIRWRPRPHH 0.79
71 RKRRRPRPHH 0.79
72 RIYRKPRDHH 0.81
73 RIRRRPRDKH 0.81
74 RKYRRPRPKH 0.81
75 RIYWRPRPKH 0.82
76 RIRRKPRPKF 0.84
77 RIRRRPRHKH 0.84
78 RIYWRPRDHH 0.85
79 RIRRKPRPKR 0.85
80 RKYRRPRDHH 0.85
81 RIYRKPRHHH 0.85
82 RIRRKPRDHF 0.88
83 RIRWRPRPKF 0.88
84 RKRRRPRPKF 0.88
85 RKYRRPRHHH 0.88
86 RKYRKPRPHF 0.88
87 RIRWRPRPKR 0.89
88 RKRRRPRPKR 0.89
89 RIYWRPRHHH 0.89
90 RIYWKPRPHF 0.89
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RIRRRPRHHR

2.58

-14.65

-12.07
2 RIYRRPRPHF

2.67

-14.33

-11.66
3 RIYRRPRHKF

1.96

-13.49

-11.53
4 RIRRRPRHHF

2.01

-13.45

-11.44
5 RIYRRPRHHR

2.16

-13.57

-11.41
6 RIYRRPRPHR

2.32

-13.56

-11.24
7 RIRRRPRPKF

2.57

-13.71

-11.14
8 RIRRRPRPHH

1.93

-12.73

-10.8
9 RIYRRPRDHR

2.32

-13.1

-10.78
10 RIRRRPRPHR

3.06

-13.78

-10.72
11 RIRRRPRPHF

2.86

-12.99

-10.13
12 RIYRRPRHHH

2.2

-12.23

-10.03
13 RIYRRPRPKF

2.69

-12.68

-9.99
14 RIYRKPRPHF

2.39

-12.15

-9.76
15 RIYRRPRHHF

2.35

-12.05

-9.7
16 RIYRRPRDHF

2.36

-11.76

-9.4
17 RIYRRPRDHH

3.25

-12.6

-9.35
18 RIYRRPRDKR

3.17

-12.3

-9.13
19 RIRRRPRDHR

3.37

-12.45

-9.08
20 RIRRRPRDHF

1.94

-10.93

-8.99
21 RIYRKPRPHR

2.65

-11.51

-8.86
22 RIYRRPRDKF

2.24

-10.9

-8.66
23 RIYRRPRPKR

3.12

-11.6

-8.48
24 RIYRRPRPKH

2.47

-10.73

-8.26
25 RIYRRPRPHH

2.24

-9.76

-7.52
26 RIRRRPRPKR

3.53

-10.99

-7.46
27 RKYRRPRPHF

2.9

-10.12

-7.22
28 RIYWRPRPHR

2.99

-10.01

-7.02
29 RIYWRPRPHF

2.06

-8.77

-6.71
30 RKYRRPRPHR

2.17

-7.35

-5.18

 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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