Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-1.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    

(Help)

Intraclash 1.700 ΔGbinding -4.674
TOTAL
 -2.974
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 1.282
Van der Waals -3.728 Backbone clash 0.074
Electrostatics -0.051 Helix dipole 0.000
Solvation Polar 3.743 Water bridges -0.001
Solvation Hyd -5.562 Disulfide 0.000
VdW clashes 0.096 Electrost. Kon -0.054
Entropy sc 0.687 Part.cov.bonds 0.000
Entropy mc

1.465

 ΔGstability

27.484
       

Predicted ligand sequences for model [RVS167_FMK-SSH-1.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).
 
  RVS167_FMK-SSH-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRRWRRPY 0.0
2 RRRRRWRRNY 0.01
3 RRRRKWRRNY 0.01
4 RRRRKWRRPY 0.01
5 RRQRRWRRPY 0.01
6 RRQRRWRRNY 0.02
7 RRQRKWRRPY 0.02
8 RRQRKWRRNY 0.03
9 RRRRPWRRPY 0.03
10 RRRRPWRRNY 0.04
11 RRQRPWRRPY 0.04
12 RRSRRWRRPY 0.05
13 RRQRPWRRNY 0.05
14 RRSRRWRRNY 0.05
15 RRSRKWRRPY 0.06
16 RRSRKWRRNY 0.06
17 RRSRPWRRPY 0.08
18 RRSRPWRRNY 0.09
19 RRRRRMRRPY 0.1
20 RRRRKMRRPY 0.11
21 RRQRRMRRPY 0.11
22 RRRRRMRRNY 0.11
23 RRRRRWRRQY 0.12
24 RRQRKMRRPY 0.12
25 RRQRRMRRNY 0.12
26 RRRRKMRRNY 0.12
27 RRRRRWRRPF 0.13
28 RRRRKWRRQY 0.13
29 RRQRRWRRQY 0.13
30 RRQRKMRRNY 0.13
31 RRRRRWRRNF 0.14
32 RRRRPMRRPY 0.14
33 RRRRKWRRPF 0.14
34 RRRRPMRRNY 0.14
35 RRQRRWRRPF 0.14
36 RRQRKWRRQY 0.14
37 RRQRPMRRNY 0.15
38 RRRRKWRRNF 0.15
39 RRSRRMRRPY 0.15
40 RRRRPWRRQY 0.15
41 RRQRPMRRPY 0.15
42 RRQRRWRRNF 0.15
43 RRQRKWRRPF 0.15
44 RRQRKWRRNF 0.16
45 RRSRKMRRPY 0.16
46 RRRRPWRRPF 0.16
47 RRQRPWRRQY 0.16
48 RRSRRMRRNY 0.16
49 RRSRRWRRQY 0.17
50 RRSRKMRRNY 0.17
51 RRQRPWRRPF 0.17
52 RRRRPWRRNF 0.17
53 RRSRKWRRQY 0.18
54 RRSRRWRRPF 0.18
55 RRQRPWRRNF 0.18
56 RRSRRWRRNF 0.18
57 RRSRPMRRPY 0.18
58 RRSRKWRRPF 0.19
59 RRSRPMRRNY 0.19
60 RRSRKWRRNF 0.19
61 RRSRPWRRQY 0.2
62 RRSRPWRRPF 0.21
63 RRSRPWRRNF 0.22
64 RRRRRMRRQY 0.23
65 RRRRRMRRPF 0.23
66 RRRRRWRKPY 0.24
67 RRRRKMRRPF 0.24
68 RRRRRWRRNR 0.24
69 RRRRKMRRQY 0.24
70 RRQRRMRRQY 0.24
71 RRRRRWRRPR 0.24
72 RRQRRMRRPF 0.24
73 RRRRRMRRNF 0.24
74 RRRRRWRKNY 0.25
75 RRQRKMRRQY 0.25
76 RRRRRWRRQF 0.25
77 RRRRKWRRPR 0.25
78 RRQRRWRRPR 0.25
79 RRQRRMRRNF 0.25
80 RRRRKMRRNF 0.25
81 RRQRRWRKNY 0.26
82 RRRRPMRRQY 0.26
83 RRRRKWRRNR 0.26
84 RRQRRWRKPY 0.26
85 RRRRKWRKPY 0.26
86 RRRRKWRRQF 0.26
87 RRQRKMRRPF 0.26
88 RRQRRWRRQF 0.26
89 RRQRKMRRNF 0.26
90 RRQRRWRRNR 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRSRKWRRPY

2.8

-11.51

-8.71
2 RRRRRMRRPY

2.05

-9.94

-7.89
3 RRRRRWRRPY

3.06

-10.83

-7.77
4 RRRRPWRRNY

2.48

-9.93

-7.45
5 RRRRRWRRPF

2.44

-9.77

-7.33
6 RRRRKMRRPY

2.51

-9.74

-7.23
7 RRQRKWRRPY

3.24

-10.34

-7.1
8 RRQRRWRRPY

3.63

-10.47

-6.84
9 RRRRRWRRNY

3.93

-10.67

-6.74
10 RRSRRWRRNY

3.13

-9.86

-6.73
11 RRQRRMRRNY

2.7

-9.3

-6.6
12 RRQRRWRRNY

3.94

-10.52

-6.58
13 RRQRKMRRPY

2.15

-8.65

-6.5
14 RRSRKWRRNY

3.18

-9.61

-6.43
15 RRQRPWRRPY

2.25

-8.63

-6.38
16 RRRRKMRRNY

2.51

-8.67

-6.16
17 RRSRRWRRPY

2.87

-8.96

-6.09
18 RRRRKWRRPY

2.49

-8.57

-6.08
19 RRRRRMRRNY

2.69

-8.63

-5.94
20 RRQRRMRRPY

2.68

-8.52

-5.84
21 RRRRKWRRNY

2.98

-8.82

-5.84
22 RRRRRWRRQY

3.89

-9.68

-5.79
23 RRQRKMRRNY

2.63

-8.21

-5.58
24 RRSRPWRRNY

3.34

-8.89

-5.55
25 RRRRKWRRQY

2.81

-8.28

-5.47
26 RRQRPWRRNY

3.05

-8.28

-5.23
27 RRRRPWRRPY

3.62

-8.68

-5.06
28 RRSRPWRRPY

3.55

-8.59

-5.04
29 RRQRRWRRQY

4.0

-8.97

-4.97
30 RRQRKWRRNY

4.21

-8.22

-4.01

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER