Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-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    

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Intraclash 4.513 ΔGbinding -5.141
TOTAL
 -0.628
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.962
Van der Waals -4.052 Backbone clash 0.072
Electrostatics -0.057 Helix dipole 0.000
Solvation Polar 4.251 Water bridges -0.023
Solvation Hyd -5.847 Disulfide 0.000
VdW clashes 0.103 Electrost. Kon -0.053
Entropy sc 0.755 Part.cov.bonds 0.000
Entropy mc

1.369

 ΔGstability

31.196
       

Predicted ligand sequences for model [RVS167_FYN-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_FYN-SSH-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMRMKWRRRR 0.0
2 RMRMPWRRRR 0.02
3 RMRMKWRKRR 0.03
4 RMRMPWRKRR 0.05
5 RMRMHWRRRR 0.05
6 RMQMKWRRRR 0.06
7 RMRMHWRKRR 0.08
8 RMQMPWRRRR 0.08
9 RMRMKWRDRR 0.08
10 RMSMKWRRRR 0.08
11 RMRMKWKRRR 0.08
12 RMQMKWRKRR 0.09
13 RMRMPWRDRR 0.1
14 RMSMPWRRRR 0.1
15 RMSMKWRKRR 0.11
16 RMQMPWRKRR 0.11
17 RMQMHWRRRR 0.11
18 RMRMPWKRRR 0.11
19 RMRMKWKKRR 0.12
20 RMSMHWRRRR 0.13
21 RMSMPWRKRR 0.13
22 RMRMHWRDRR 0.13
23 RMQMHWRKRR 0.14
24 RMRMPWKKRR 0.14
25 RMQMKWRDRR 0.14
26 RMRMHWKRRR 0.14
27 RMQMKWKRRR 0.15
28 RMRMKWKDRR 0.16
29 RMSMKWKRRR 0.16
30 RMSMHWRKRR 0.16
31 RMSMKWRDRR 0.16
32 RMQMPWRDRR 0.16
33 RMQMPWKRRR 0.17
34 RMRMHWKKRR 0.17
35 RMSMPWRDRR 0.18
36 RMQMKWKKRR 0.18
37 RMRMPWKDRR 0.18
38 RMSMPWKRRR 0.18
39 RMSMKWKKRR 0.19
40 RMQMHWRDRR 0.19
41 RMQMHWKRRR 0.2
42 RMQMPWKKRR 0.2
43 RMSMHWRDRR 0.21
44 RMSMHWKRRR 0.21
45 RMSMPWKKRR 0.21
46 RMRMHWKDRR 0.22
47 RMQMKWKDRR 0.22
48 RMQMHWKKRR 0.23
49 RMSMKWKDRR 0.24
50 RMSMHWKKRR 0.25
51 RMQMPWKDRR 0.25
52 RMSMPWKDRR 0.26
53 RMQMHWKDRR 0.28
54 RMSMHWKDRR 0.29
55 RMRRKWRRRR 0.29
56 RMRRPWRRRR 0.31
57 RMRRKWRKRR 0.32
58 RRRMKWRRRR 0.33
59 RMRRPWRKRR 0.34
60 RMRRHWRRRR 0.34
61 RRRMPWRRRR 0.35
62 RMQRKWRRRR 0.35
63 RRRMKWRKRR 0.36
64 RMSRKWRRRR 0.36
65 RMRRKWRDRR 0.37
66 RMQRPWRRRR 0.37
67 RMRRHWRKRR 0.37
68 RMRRKWKRRR 0.37
69 RRRMHWRRRR 0.38
70 RRRMPWRKRR 0.38
71 RMQRKWRKRR 0.38
72 RMRRPWRDRR 0.39
73 RMRRPWKRRR 0.39
74 RRQMKWRRRR 0.39
75 RMSRPWRRRR 0.39
76 RMRMKWRRRY 0.4
77 RMRRKWKKRR 0.4
78 RMQRHWRRRR 0.4
79 RRSMKWRRRR 0.4
80 RMQRPWRKRR 0.4
81 RMSRKWRKRR 0.4
82 RRRMHWRKRR 0.41
83 RRQMPWRRRR 0.41
84 RRRMKWKRRR 0.41
85 RRRMKWRDRR 0.41
86 RMRRHWRDRR 0.42
87 RMSRPWRKRR 0.42
88 RRQMKWRKRR 0.42
89 RMRMPWRRRY 0.42
90 RMRRHWKRRR 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RMSMHWRRRR

4.51

-15.21

-10.7
2 RMQMPWRRRR

3.87

-14.1

-10.23
3 RMQMKWKRRR

3.95

-13.39

-9.44
4 RMQMHWRRRR

4.36

-13.27

-8.91
5 RMRMPWRRRR

3.63

-12.44

-8.81
6 RMRMPWRDRR

4.13

-12.54

-8.41
7 RMRMHWKRRR

4.11

-12.36

-8.25
8 RMQMKWRRRR

4.06

-12.21

-8.15
9 RMRMKWRRRR

4.3

-12.13

-7.83
10 RMRMKWKRRR

5.1

-12.79

-7.69
11 RMSMKWRKRR

4.07

-11.71

-7.64
12 RMRMPWKRRR

4.22

-11.83

-7.61
13 RMRMKWKDRR

4.06

-11.56

-7.5
14 RMQMKWRDRR

4.2

-11.7

-7.5
15 RMQMHWRKRR

4.04

-11.52

-7.48
16 RMRMHWRDRR

4.11

-11.58

-7.47
17 RMRMPWRKRR

4.62

-12.09

-7.47
18 RMSMPWRRRR

4.16

-11.62

-7.46
19 RMSMKWKRRR

4.91

-12.2

-7.29
20 RMRMHWRKRR

4.04

-11.24

-7.2
21 RMRMKWRDRR

3.78

-10.91

-7.13
22 RMQMPWRKRR

3.86

-10.94

-7.08
23 RMRMPWKKRR

4.08

-11.11

-7.03
24 RMSMKWRRRR

4.0

-11.0

-7.0
25 RMRMKWKKRR

4.12

-10.92

-6.8
26 RMRMHWRRRR

4.39

-11.18

-6.79
27 RMSMHWRKRR

3.95

-10.56

-6.61
28 RMSMPWRKRR

3.92

-10.33

-6.41
29 RMQMKWRKRR

4.43

-10.71

-6.28
30 RMRMKWRKRR

4.03

-10.25

-6.22

 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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