Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-9.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.384 ΔGbinding -0.632
TOTAL
 -0.248
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.399
Van der Waals -3.325 Backbone clash 0.023
Electrostatics 0.437 Helix dipole 0.000
Solvation Polar 3.147 Water bridges -0.030
Solvation Hyd -5.053 Disulfide 0.000
VdW clashes 0.052 Electrost. Kon 0.613
Entropy sc 0.445 Part.cov.bonds 0.000
Entropy mc

2.684

 ΔGstability

7.859
       

Predicted ligand sequences for model [BBC1_1TG0-9.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).
 
  BBC1_1TG0-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPKHFRF 0.0
2 RRPKHRRF 0.05
3 RRWKHFRF 0.1
4 RRPRHFRF 0.11
5 RRPIHFRF 0.14
6 RRWKHRRF 0.15
7 RRPKHLRF 0.16
8 RRPRHRRF 0.16
9 RRPIHRRF 0.19
10 RRPKHFRW 0.2
11 RRWRHFRF 0.21
12 RRWIHFRF 0.24
13 RRPKHRRW 0.25
14 RRWKHLRF 0.25
15 RRWRHRRF 0.26
16 RRPRHLRF 0.27
17 RRWIHRRF 0.29
18 RRPIHLRF 0.3
19 RRWKHFRW 0.3
20 RRPRHFRW 0.32
21 RRPKPFRF 0.33
22 RRPIHFRW 0.34
23 RRRKHFRF 0.34
24 RRWKHRRW 0.35
25 RRPKHLRW 0.36
26 RRPRHRRW 0.36
27 RRWRHLRF 0.37
28 RRPKPRRF 0.38
29 RRWIHLRF 0.39
30 RRRKHRRF 0.39
31 RRPIHRRW 0.39
32 FRPKHFRF 0.41
33 RRWRHFRW 0.41
34 RRWKPFRF 0.43
35 RRPKHFKF 0.44
36 RRPRPFRF 0.44
37 RRWIHFRW 0.44
38 FRPKHRRF 0.45
39 RRRRHFRF 0.45
40 RRWKHLRW 0.46
41 RRWRHRRW 0.46
42 RRPIPFRF 0.47
43 RRPRHLRW 0.47
44 RRWKPRRF 0.48
45 RRRIHFRF 0.48
46 RRPKPLRF 0.48
47 RRWIHRRW 0.49
48 RRPKHRKF 0.49
49 RRPRPRRF 0.49
50 RRRKHLRF 0.49
51 RRPIHLRW 0.5
52 RRRRHRRF 0.5
53 FRWKHFRF 0.51
54 FRPRHFRF 0.52
55 RRPIPRRF 0.52
56 RRRIHRRF 0.53
57 RRPKPFRW 0.53
58 RRWRPFRF 0.54
59 RRWKHFKF 0.54
60 RRRKHFRW 0.54
61 FRPIHFRF 0.55
62 FRWKHRRF 0.55
63 FRPKHLRF 0.56
64 RRPRHFKF 0.56
65 RRWRHLRW 0.57
66 FRPRHRRF 0.57
67 RRWIPFRF 0.57
68 RRPKPRRW 0.58
69 RRPIHFKF 0.58
70 RRWKPLRF 0.58
71 RRWKHRKF 0.59
72 RRRKHRRW 0.59
73 RRWRPRRF 0.59
74 FRPIHRRF 0.59
75 RRPRPLRF 0.6
76 RRWIHLRW 0.6
77 RRPRHRKF 0.6
78 RRPKHLKF 0.6
79 FRPKHFRW 0.61
80 RRRRHLRF 0.61
81 RRWIPRRF 0.62
82 FRWRHFRF 0.62
83 RRPIPLRF 0.62
84 RRWKPFRW 0.63
85 RRRIHLRF 0.63
86 RRPIHRKF 0.63
87 RRPKHFKW 0.65
88 RRPRPFRW 0.65
89 FRWIHFRF 0.65
90 RRWRHFKF 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPKPRRF

2.55

-8.56

-6.01
2 RRPKPFRF

2.15

-8.09

-5.94
3 RRWRHFRF

2.52

-7.78

-5.26
4 RRRKHRRF

2.14

-7.34

-5.2
5 RRPRHRRF

2.07

-7.24

-5.17
6 RRPKHRRW

2.1

-7.14

-5.04
7 RRWIHRRF

2.14

-7.14

-5.0
8 RRPKHRRF

2.02

-6.98

-4.96
9 RRWIHLRF

1.6

-6.1

-4.5
10 RRWRHRRF

2.38

-6.85

-4.47
11 RRWIHFRF

1.85

-6.27

-4.42
12 RRPRHFRW

2.08

-6.43

-4.35
13 RRWRHLRF

1.95

-6.3

-4.35
14 RRPKHLRW

2.61

-6.87

-4.26
15 RRPIHFRW

1.91

-6.15

-4.24
16 RRPIHLRF

1.91

-6.1

-4.19
17 RRRKHFRF

1.73

-5.9

-4.17
18 RRPIHFRF

1.97

-6.13

-4.16
19 RRPIHRRF

2.9

-7.05

-4.15
20 RRPRHLRF

2.21

-6.36

-4.15
21 RRWKHLRF

2.51

-6.61

-4.1
22 RRPRHRRW

2.55

-6.56

-4.01
23 RRPRHFRF

2.35

-6.3

-3.95
24 RRWKHRRF

2.48

-6.42

-3.94
25 RRWKHRRW

2.24

-5.97

-3.73
26 RRWKHFRF

2.2

-5.79

-3.59
27 RRPKHLRF

2.23

-5.79

-3.56
28 RRWKHFRW

2.14

-5.67

-3.53
29 RRPKHFRW

2.64

-6.0

-3.36
30 RRPKHFRF

3.09

-6.4

-3.31

 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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