Predicted ligand sequences


ADAN-name: 1TP52.PDB (view again the scoring matrix)

PDB name: [1TP5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K K E T W V
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 1.567 ΔGbinding -11.460
TOTAL
 -9.893
Backbone Hb -8.250 Cis_bond 0.000
Sidechain Hb -0.800 Torsional clash 0.030
Van der Waals -9.660 Backbone clash 1.530
Electrostatics -1.630 Helix dipole 0.190
Solvation Polar 14.840 Water bridges -0.430
Solvation Hyd -12.410 Disulfide 0.000
VdW clashes 0.660 Electrost. Kon -1.340
Entropy sc 4.730 Part.cov.bonds 0.000
Entropy mc

2.610

 ΔGstability

2.870
       

Predicted ligand sequences for template [1TP52.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).
 
  1TP52.PDB  

(data)
# Predicted Sequences Value Calculate
1 RMMIMV 0.0
2 GMMIMV 0.04
3 AMMIMV 0.06
4 RMMIFV 0.08
5 RMMVMV 0.09
6 RMMMMV 0.09
7 GMMIFV 0.12
8 GMMVMV 0.12
9 GMMMMV 0.13
10 RMMIWV 0.13
11 AMMMMV 0.15
12 AMMIFV 0.15
13 AMMVMV 0.15
14 GMMIWV 0.16
15 RMMVFV 0.17
16 RMMMFV 0.17
17 AMMIWV 0.19
18 GMMMFV 0.21
19 RMMVWV 0.21
20 RMMMWV 0.21
21 GMMVFV 0.21
22 AMMVFV 0.23
23 AMMMFV 0.24
24 GMMMWV 0.25
25 GMMVWV 0.25
26 AMMVWV 0.28
27 AMMMWV 0.28
28 RDMIMV 0.38
29 GDMIMV 0.42
30 ADMIMV 0.44
31 RMMIML 0.44
32 RMLIMV 0.44
33 GMMIML 0.47
34 GMLIMV 0.47
35 RDMMMV 0.47
36 RDMIFV 0.47
37 RDMVMV 0.47
38 RLMIMV 0.48
39 AMMIML 0.5
40 GDMIFV 0.5
41 GDMVMV 0.5
42 AMLIMV 0.5
43 RDMIWV 0.51
44 GDMMMV 0.51
45 GLMIMV 0.52
46 RMLVMV 0.52
47 RMLIFV 0.52
48 RMLMMV 0.52
49 RMMVML 0.52
50 RMMIFL 0.52
51 ADMMMV 0.53
52 ADMIFV 0.53
53 ADMVMV 0.53
54 RMMMML 0.53
55 ALMIMV 0.54
56 GDMIWV 0.54
57 RDMMFV 0.55
58 GMLIFV 0.55
59 RDMVFV 0.55
60 RLMIFV 0.56
61 GMMIFL 0.56
62 GMLVMV 0.56
63 GMMMML 0.56
64 GMLMMV 0.56
65 RMLIWV 0.56
66 RMMIWL 0.56
67 GMMVML 0.56
68 RLMMMV 0.57
69 ADMIWV 0.57
70 RLMVMV 0.57
71 AMLIFV 0.58
72 AMLVMV 0.58
73 AMMIFL 0.58
74 RDMMWV 0.59
75 AMMMML 0.59
76 GDMVFV 0.59
77 GDMMFV 0.59
78 AMMVML 0.59
79 AMLMMV 0.59
80 RDMVWV 0.59
81 GMMIWL 0.6
82 GLMVMV 0.6
83 GLMIFV 0.6
84 GMLIWV 0.6
85 RMLVFV 0.61
86 RMMVFL 0.61
87 RLMIWV 0.61
88 RMLMFV 0.61
89 ADMVFV 0.61
90 RMMMFL 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RMMIFV

1.27

-15.85

-14.58
2 AMMIMV

0.88

-15.43

-14.55
3 GMMIMV

0.97

-15.48

-14.51
4 RMMIMV

1.17

-15.55

-14.38
5 AMMVMV

0.77

-15.06

-14.29
6 AMMIFV

0.96

-15.15

-14.19
7 AMMVWV

1.0

-15.16

-14.16
8 RDMIMV

1.11

-15.27

-14.16
9 RMMVMV

1.13

-15.25

-14.12
10 GMMVWV

0.88

-15.0

-14.12
11 GMMIWV

1.05

-15.09

-14.04
12 GMMMWV

0.95

-14.96

-14.01
13 AMMVFV

0.89

-14.89

-14.0
14 GMMMMV

0.72

-14.65

-13.93
15 RMMMFV

1.17

-15.05

-13.88
16 RMMMWV

1.19

-15.03

-13.84
17 RMMMMV

1.22

-15.02

-13.8
18 AMMMMV

0.76

-14.47

-13.71
19 GMMVMV

0.84

-14.49

-13.65
20 RMMVFV

1.12

-14.69

-13.57
21 GMMMFV

0.76

-14.31

-13.55
22 ADMIMV

1.13

-14.53

-13.4
23 GDMIMV

0.95

-14.27

-13.32
24 AMMMWV

1.03

-14.16

-13.13
25 RMMVWV

1.18

-13.8

-12.62
26 AMMMFV

0.89

-13.38

-12.49
27 RMMIWV

2.27

-14.45

-12.18
28 AMMIWV

1.93

-14.03

-12.1
29 GMMIFV

1.74

-13.78

-12.04
30 GMMVFV

1.53

-13.53

-12.0

 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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