Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-11.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 0.232 ΔGbinding -2.119
TOTAL
 -1.887
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.804
Van der Waals -3.326 Backbone clash 0.001
Electrostatics 0.341 Helix dipole 0.000
Solvation Polar 3.634 Water bridges -0.111
Solvation Hyd -4.368 Disulfide 0.000
VdW clashes 0.030 Electrost. Kon 0.461
Entropy sc 0.674 Part.cov.bonds 0.000
Entropy mc

2.292

 ΔGstability

11.911
       

Predicted ligand sequences for model [LSB3_1SSH-11.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).
 
  LSB3_1SSH-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDWLIPR 0.0
2 FDPLIPR 0.07
3 FDWLISR 0.11
4 FDRLIPR 0.13
5 FDWLIRR 0.14
6 FDWLKPR 0.16
7 FDPLISR 0.19
8 FPWLIPR 0.21
9 FRWLIPR 0.22
10 FDPLIRR 0.22
11 FDWLLPR 0.22
12 FDWFIPR 0.23
13 FDPLKPR 0.24
14 FDRLISR 0.24
15 FDWMIPR 0.26
16 FDRLIRR 0.27
17 FDWLKSR 0.28
18 FRPLIPR 0.29
19 FPPLIPR 0.29
20 FDRLKPR 0.3
21 FDWLKRR 0.3
22 FDPLLPR 0.3
23 FDPFIPR 0.3
24 MDWLIPR 0.33
25 FDWLLSR 0.33
26 FRWLISR 0.33
27 FPWLISR 0.33
28 FDWFISR 0.34
29 FDPMIPR 0.34
30 FDRLLPR 0.35
31 FDPLKSR 0.35
32 FPRLIPR 0.35
33 FPWLIRR 0.35
34 FRRLIPR 0.35
35 FDRFIPR 0.36
36 FRWLIRR 0.36
37 FDWLLRR 0.36
38 FDWFIRR 0.37
39 FDWMISR 0.37
40 FPWLKPR 0.38
41 FRWLKPR 0.38
42 FDPLKRR 0.38
43 FDWFKPR 0.39
44 FDRMIPR 0.39
45 FRPLISR 0.4
46 FPPLISR 0.4
47 FDWMIRR 0.4
48 MDPLIPR 0.4
49 FDRLKSR 0.41
50 FDPLLSR 0.41
51 FDPFISR 0.41
52 FDWMKPR 0.43
53 FRPLIRR 0.43
54 FPPLIRR 0.43
55 FDPFIRR 0.44
56 FPWFIPR 0.44
57 FPWLLPR 0.44
58 FRWFIPR 0.44
59 FDRLKRR 0.44
60 FDPLLRR 0.44
61 FRWLLPR 0.44
62 MDWLISR 0.44
63 FDPMISR 0.45
64 FRPLKPR 0.45
65 FDWFLPR 0.45
66 FPPLKPR 0.45
67 FRRLISR 0.46
68 MDRLIPR 0.46
69 FDRLLSR 0.46
70 FPRLISR 0.46
71 MDWLIRR 0.47
72 FDPFKPR 0.47
73 FDRFISR 0.47
74 FDPMIRR 0.48
75 FDWMLPR 0.48
76 FPWMIPR 0.48
77 FRWMIPR 0.48
78 FPRLIRR 0.49
79 FPWLKSR 0.49
80 FRRLIRR 0.49
81 MDWLKPR 0.49
82 FRWLKSR 0.49
83 FDRLLRR 0.49
84 FDWFKSR 0.5
85 FDRFIRR 0.5
86 FDPMKPR 0.5
87 FPPLLPR 0.51
88 FDRMISR 0.51
89 FRRLKPR 0.51
90 FRPLLPR 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FDRLISR

1.0

-10.3

-9.3
2 FDWLIRR

1.85

-10.84

-8.99
3 FDPLISR

1.72

-10.59

-8.87
4 FDRLIRR

1.85

-10.68

-8.83
5 FPWLISR

0.93

-9.54

-8.61
6 FDPLIRR

0.97

-9.53

-8.56
7 FRWLISR

1.89

-10.4

-8.51
8 FDWLISR

1.28

-9.69

-8.41
9 FDWFISR

1.1

-9.19

-8.09
10 FRPLIPR

2.14

-10.22

-8.08
11 FPPLIPR

1.66

-9.65

-7.99
12 FDPLLPR

1.68

-9.64

-7.96
13 FRWLIPR

1.96

-9.92

-7.96
14 FDRLIPR

2.24

-10.17

-7.93
15 FDWLIPR

1.89

-9.64

-7.75
16 FDWFIPR

1.84

-9.59

-7.75
17 FDPMIPR

1.91

-9.65

-7.74
18 MDWLIPR

2.76

-10.27

-7.51
19 FDPLIPR

2.68

-10.11

-7.43
20 FPWLIPR

1.78

-9.19

-7.41
21 FDPFIPR

1.81

-9.16

-7.35
22 FDWLLSR

2.15

-9.42

-7.27
23 FDRLKPR

1.18

-8.35

-7.17
24 FDWLKSR

1.41

-8.57

-7.16
25 FDPLKPR

2.03

-8.83

-6.8
26 FDRLLPR

2.75

-9.54

-6.79
27 FDWLKRR

1.69

-8.35

-6.66
28 FDWLLPR

2.1

-8.73

-6.63
29 FDWMIPR

2.83

-9.24

-6.41
30 FDWLKPR

1.49

-7.78

-6.29

 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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