Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-1.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 4.365 ΔGbinding -3.030
TOTAL
 1.335
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 2.258
Van der Waals -4.092 Backbone clash 0.135
Electrostatics -0.122 Helix dipole 0.000
Solvation Polar 3.771 Water bridges 0.002
Solvation Hyd -6.168 Disulfide 0.000
VdW clashes 0.292 Electrost. Kon -0.145
Entropy sc 0.711 Part.cov.bonds 0.000
Entropy mc

1.738

 ΔGstability

14.052
       

Predicted ligand sequences for model [YSC84_2A08-1.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).
 
  YSC84_2A08-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 MHRRPMWREY 0.0
2 MHRRDMWREY 0.1
3 MHRRHMWREY 0.11
4 MMRRPMWREY 0.12
5 MHSRPMWREY 0.18
6 MHLRPMWREY 0.2
7 MMRRDMWREY 0.22
8 MMRRHMWREY 0.23
9 WHRRPMWREY 0.24
10 MHSRDMWREY 0.28
11 MHSRHMWREY 0.29
12 MHLRDMWREY 0.29
13 MHRRPMPREY 0.3
14 MHLRHMWREY 0.3
15 MMSRPMWREY 0.31
16 MMLRPMWREY 0.32
17 MHRRPKWREY 0.32
18 KHRRPMWREY 0.32
19 WHRRDMWREY 0.33
20 MHRRPFWREY 0.33
21 WHRRHMWREY 0.34
22 WMRRPMWREY 0.36
23 MHRRDMPREY 0.39
24 MMSRDMWREY 0.4
25 MHRRHMPREY 0.4
26 MHRRDKWREY 0.41
27 MMSRHMWREY 0.41
28 WHSRPMWREY 0.42
29 MHRRPMWKEY 0.42
30 MHRRHKWREY 0.42
31 MMRRPMPREY 0.42
32 MMLRDMWREY 0.42
33 KHRRDMWREY 0.42
34 KHRRHMWREY 0.43
35 MHRRDFWREY 0.43
36 MMLRHMWREY 0.43
37 WHLRPMWREY 0.44
38 MHRRHFWREY 0.44
39 MMRRPKWREY 0.44
40 MMRRPFWREY 0.45
41 KMRRPMWREY 0.45
42 WMRRDMWREY 0.46
43 WMRRHMWREY 0.47
44 MHSRPMPREY 0.48
45 MHLRPMPREY 0.49
46 MHSRPKWREY 0.5
47 KHSRPMWREY 0.51
48 MHSRPFWREY 0.52
49 MHLRPKWREY 0.52
50 MHRRDMWKEY 0.52
51 KHLRPMWREY 0.52
52 MMRRHMPREY 0.52
53 MMRRDMPREY 0.52
54 WHSRDMWREY 0.52
55 WHLRDMWREY 0.53
56 MHLRPFWREY 0.53
57 WHRRPMPREY 0.53
58 WHSRHMWREY 0.53
59 MHRRHMWKEY 0.53
60 MMRRDKWREY 0.54
61 WMSRPMWREY 0.54
62 KMRRDMWREY 0.54
63 WHLRHMWREY 0.54
64 KMRRHMWREY 0.55
65 MMRRHKWREY 0.55
66 MMRRDFWREY 0.55
67 MMRRPMWKEY 0.55
68 MMRRHFWREY 0.56
69 WMLRPMWREY 0.56
70 WHRRPKWREY 0.56
71 WHRRPFWREY 0.57
72 MHSRDMPREY 0.58
73 MHSRHMPREY 0.59
74 MHLRDMPREY 0.59
75 MMSRPMPREY 0.6
76 MHLRHMPREY 0.6
77 KHSRDMWREY 0.6
78 MHSRDKWREY 0.6
79 KHSRHMWREY 0.61
80 MHSRHKWREY 0.61
81 MHRRPKPREY 0.61
82 MHSRPMWKEY 0.61
83 MHLRDKWREY 0.61
84 MHSRDFWREY 0.61
85 MHSRHFWREY 0.62
86 MHLRDFWREY 0.62
87 KHLRDMWREY 0.62
88 MMSRPKWREY 0.62
89 KHRRPMPREY 0.62
90 MHLRPMWKEY 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WMRRPMWREY

3.08

-11.58

-8.5
2 MMRRDMWREY

3.38

-11.44

-8.06
3 MMSRDMWREY

3.34

-11.14

-7.8
4 MMSRHMWREY

3.18

-10.42

-7.24
5 MMLRPMWREY

3.28

-10.36

-7.08
6 MMRRPMWREY

3.03

-10.01

-6.98
7 MMSRPMWREY

2.99

-9.68

-6.69
8 MHRRPMWREY

3.0

-9.61

-6.61
9 MMRRHMWREY

3.82

-10.4

-6.58
10 MHRRPMWKEY

3.96

-10.04

-6.08
11 MHRRDMWREY

4.42

-10.39

-5.97
12 MHRRHMPREY

3.4

-9.33

-5.93
13 MHLRPMWREY

3.18

-8.9

-5.72
14 WHSRPMWREY

3.22

-8.89

-5.67
15 MHSRPMWREY

2.98

-8.25

-5.27
16 MHRRDMPREY

2.98

-8.14

-5.16
17 MHLRDMWREY

3.28

-8.35

-5.07
18 MHLRHMWREY

3.05

-8.07

-5.02
19 WHRRHMWREY

3.98

-9.0

-5.02
20 WHRRPMWREY

3.66

-8.55

-4.89
21 MHRRHMWREY

4.56

-9.43

-4.87
22 MHSRDMWREY

4.01

-8.87

-4.86
23 WHRRDMWREY

3.59

-8.37

-4.78
24 MHRRPMPREY

4.42

-9.13

-4.71
25 KHRRPMWREY

3.78

-8.22

-4.44
26 MHSRHMWREY

3.53

-7.97

-4.44
27 MHRRPFWREY

4.27

-7.67

-3.4
28 MHRRPKWREY

3.74

-6.69

-2.95
29 MHRRHKWREY

3.72

-6.19

-2.47
30 MHRRDKWREY

3.84

-6.24

-2.4

 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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