Predicted ligand sequences


ADAN-name: 1TP32.PDB (view again the scoring matrix)

PDB name: [1TP3.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K K E T P 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 4.452 ΔGbinding -9.560
TOTAL
 -5.108
Backbone Hb -9.020 Cis_bond 0.000
Sidechain Hb -5.100 Torsional clash 0.360
Van der Waals -8.620 Backbone clash 1.130
Electrostatics -1.890 Helix dipole 0.140
Solvation Polar 16.240 Water bridges -0.870
Solvation Hyd -10.660 Disulfide 0.000
VdW clashes 2.470 Electrost. Kon -1.470
Entropy sc 6.000 Part.cov.bonds 0.000
Entropy mc

2.870

 ΔGstability

12.770
       

Predicted ligand sequences for template [1TP32.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).
 
  1TP32.PDB  

(data)
# Predicted Sequences Value Calculate
1 GGDMMV 0.0
2 GGDIMV 0.08
3 GLDMMV 0.26
4 HGDMMV 0.26
5 FGDMMV 0.28
6 AGDMMV 0.28
7 GYDMMV 0.31
8 GLDIMV 0.34
9 GMDMMV 0.34
10 HGDIMV 0.34
11 GGDMFV 0.35
12 FGDIMV 0.36
13 AGDIMV 0.36
14 GYDIMV 0.39
15 GGDIFV 0.43
16 GGDMHV 0.43
17 GMDIMV 0.43
18 GGDMYV 0.47
19 GGDIHV 0.51
20 HLDMMV 0.51
21 FLDMMV 0.53
22 ALDMMV 0.53
23 GGDIYV 0.55
24 HYDMMV 0.57
25 AYDMMV 0.59
26 HLDIMV 0.59
27 FYDMMV 0.59
28 GLDMFV 0.6
29 HMDMMV 0.6
30 ALDIMV 0.61
31 HGDMFV 0.61
32 FLDIMV 0.61
33 AMDMMV 0.62
34 FMDMMV 0.62
35 FGDMFV 0.63
36 AGDMFV 0.63
37 HYDIMV 0.65
38 GYDMFV 0.66
39 FYDIMV 0.67
40 AYDIMV 0.67
41 GLDMHV 0.68
42 HMDIMV 0.68
43 GLDIFV 0.69
44 GMDMFV 0.69
45 HGDIFV 0.69
46 HGDMHV 0.69
47 FMDIMV 0.7
48 AMDIMV 0.7
49 FGDIFV 0.71
50 AGDMHV 0.71
51 FGDMHV 0.71
52 AGDIFV 0.71
53 GLDMYV 0.73
54 HGDMYV 0.73
55 GYDMHV 0.74
56 GYDIFV 0.74
57 FGDMYV 0.75
58 AGDMYV 0.75
59 GMDMHV 0.77
60 GLDIHV 0.77
61 HGDIHV 0.77
62 GYDMYV 0.78
63 GMDIFV 0.78
64 AGDIHV 0.79
65 FGDIHV 0.79
66 GLDIYV 0.81
67 HGDIYV 0.81
68 GYDIHV 0.82
69 GMDMYV 0.82
70 FGDIYV 0.83
71 AGDIYV 0.83
72 GMDIHV 0.85
73 HLDMFV 0.86
74 GYDIYV 0.87
75 ALDMFV 0.88
76 FLDMFV 0.88
77 GMDIYV 0.9
78 HYDMFV 0.92
79 HLDIFV 0.94
80 AYDMFV 0.94
81 FYDMFV 0.94
82 HLDMHV 0.94
83 HMDMFV 0.95
84 FLDIFV 0.96
85 FLDMHV 0.96
86 ALDIFV 0.96
87 ALDMHV 0.96
88 FMDMFV 0.97
89 AMDMFV 0.97
90 HLDMYV 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HLDMMV

3.91

-14.87

-10.96
2 GGDMFV

3.15

-13.85

-10.7
3 FGDMMV

3.35

-14.0

-10.65
4 GLDIMV

3.96

-14.54

-10.58
5 GLDMMV

3.76

-14.32

-10.56
6 GGDMMV

3.36

-13.89

-10.53
7 HGDMMV

3.28

-13.81

-10.53
8 GGDIFV

3.65

-14.17

-10.52
9 GYDMMV

4.04

-14.53

-10.49
10 AGDMMV

3.28

-13.7

-10.42
11 ALDMMV

4.22

-14.63

-10.41
12 GGDMYV

3.09

-13.47

-10.38
13 GGDMHV

3.29

-13.67

-10.38
14 AYDMMV

4.35

-14.57

-10.22
15 GMDIMV

3.9

-14.01

-10.11
16 GLDMFV

4.08

-14.07

-9.99
17 FGDIMV

3.6

-13.58

-9.98
18 AGDIMV

3.6

-13.53

-9.93
19 HMDMMV

4.15

-14.04

-9.89
20 ALDIMV

4.54

-14.33

-9.79
21 GGDIYV

3.5

-13.15

-9.65
22 HYDMMV

4.89

-14.28

-9.39
23 FYDMMV

4.13

-13.09

-8.96
24 FLDMMV

4.18

-13.13

-8.95
25 GGDIMV

3.84

-12.4

-8.56
26 GMDMMV

4.42

-12.8

-8.38
27 HGDIMV

3.9

-12.28

-8.38
28 GGDIHV

3.74

-12.0

-8.26
29 HLDIMV

5.18

-13.13

-7.95
30 GYDIMV

4.84

-11.9

-7.06

 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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