Predicted ligand sequences


ADAN-name: 1YWI2.PDB (view again the scoring matrix)

PDB name: [1YWI.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P P P L P P
position 1 2 3 4 5 6
poly-Ala 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 1.493 ΔGbinding -7.194
TOTAL
 -5.701
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.745
Van der Waals -6.092 Backbone clash 0.005
Electrostatics -0.327 Helix dipole 0.000
Solvation Polar 5.629 Water bridges 0.008
Solvation Hyd -8.748 Disulfide 0.000
VdW clashes 0.315 Electrost. Kon -0.118
Entropy sc 0.610 Part.cov.bonds 0.000
Entropy mc

0.783

 ΔGstability

14.195
       

Predicted ligand sequences for template [1YWI2.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).
 
  1YWI2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RSRIPP 0.0
2 RPRIPP 0.08
3 RSRIPG 0.09
4 ESRIPP 0.1
5 RPRIPG 0.17
6 EPRIPP 0.19
7 ESRIPG 0.19
8 FSRIPP 0.27
9 EPRIPG 0.27
10 RSRIPA 0.28
11 RSPIPP 0.29
12 FPRIPP 0.35
13 RPRIPA 0.36
14 FSRIPG 0.36
15 RWRIPP 0.37
16 RPPIPP 0.37
17 ESRIPA 0.38
18 RSPIPG 0.38
19 ESPIPP 0.39
20 RSRMPP 0.39
21 RSRDPP 0.42
22 FPRIPG 0.44
23 RWRIPG 0.46
24 EPRIPA 0.46
25 RPPIPG 0.46
26 EPPIPP 0.47
27 EWRIPP 0.47
28 RSsIPP 0.48
29 ESPIPG 0.48
30 RPRMPP 0.48
31 RSRMPG 0.48
32 ESRMPP 0.49
33 RSRDPG 0.51
34 RPRDPP 0.51
35 ESRDPP 0.53
36 FSRIPA 0.55
37 RSsIPG 0.56
38 RPsIPP 0.56
39 EWRIPG 0.56
40 EPPIPG 0.56
41 RPRMPG 0.56
42 RSPIPA 0.56
43 FSPIPP 0.56
44 ESRMPG 0.58
45 EPRMPP 0.58
46 ESsIPP 0.58
47 RPRDPG 0.59
48 EPRDPP 0.61
49 ESRDPG 0.61
50 FPRIPA 0.63
51 FWRIPP 0.64
52 FPPIPP 0.64
53 RPsIPG 0.65
54 RWRIPA 0.65
55 RPPIPA 0.65
56 FSPIPG 0.65
57 FSRMPP 0.66
58 RWPIPP 0.66
59 EPsIPP 0.66
60 EPRMPG 0.66
61 ESsIPG 0.66
62 ESPIPA 0.67
63 RSRMPA 0.67
64 RSPMPP 0.68
65 FSRDPP 0.69
66 RSRDPA 0.7
67 EPRDPG 0.7
68 RSPDPP 0.71
69 FPPIPG 0.73
70 FWRIPG 0.73
71 RSsIPA 0.75
72 FPRMPP 0.75
73 EWRIPA 0.75
74 EPPIPA 0.75
75 FSRMPG 0.75
76 RWPIPG 0.75
77 RPRMPA 0.75
78 EPsIPG 0.75
79 FSsIPP 0.75
80 EWPIPP 0.76
81 RPPMPP 0.76
82 RWRMPP 0.76
83 RSPMPG 0.77
84 ESRMPA 0.77
85 ESPMPP 0.78
86 FSRDPG 0.78
87 RPRDPA 0.78
88 FPRDPP 0.78
89 RWRDPP 0.79
90 RSPDPG 0.8
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EPRIPG

1.96

-8.84

-6.88
2 RPRMPP

1.79

-8.46

-6.67
3 EPPIPP

1.8

-8.11

-6.31
4 RPPIPG

1.94

-8.1

-6.16
5 RWRIPG

2.33

-8.34

-6.01
6 ESRIPP

1.48

-7.43

-5.95
7 RSRIPP

1.45

-7.36

-5.91
8 RPPIPP

1.84

-7.53

-5.69
9 RSsIPP

1.53

-7.07

-5.54
10 RPRIPA

1.96

-7.4

-5.44
11 RPRIPG

2.0

-7.4

-5.4
12 ESPIPP

1.45

-6.85

-5.4
13 ESPIPG

1.44

-6.79

-5.35
14 EPRIPP

1.99

-7.28

-5.29
15 FSRIPG

1.84

-7.12

-5.28
16 RSPIPP

1.39

-6.54

-5.15
17 RWRIPP

2.24

-7.32

-5.08
18 RSRDPP

1.52

-6.59

-5.07
19 RSRMPP

2.28

-7.33

-5.05
20 FPRIPG

1.97

-7.02

-5.05
21 FSRIPP

1.82

-6.8

-4.98
22 FPRIPP

2.61

-7.53

-4.92
23 RSPIPG

1.46

-6.26

-4.8
24 EWRIPP

2.38

-7.14

-4.76
25 RPRIPP

1.98

-6.73

-4.75
26 RSRIPG

1.52

-6.08

-4.56
27 ESRIPG

1.48

-6.0

-4.52
28 EPRIPA

2.24

-6.37

-4.13
29 ESRIPA

1.43

-5.47

-4.04
30 RSRIPA

1.74

-5.43

-3.69

 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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