Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1TG0-5.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
A
A
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 1.623 ΔGbinding 1.486
TOTAL
 3.109
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.622
Van der Waals -6.505 Backbone clash 0.036
Electrostatics -0.816 Helix dipole 0.000
Solvation Polar 7.421 Water bridges -0.096
Solvation Hyd -9.717 Disulfide 0.000
VdW clashes 7.921 Electrost. Kon -0.964
Entropy sc 1.917 Part.cov.bonds 0.000
Entropy mc

3.753

 ΔGstability

16.366
       

Predicted ligand sequences for model [BBC1_1TG0-5.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_1TG0-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 QRRFSFRPHP 0.0
2 FRRFSFRPHP 0.05
3 QRRFSFRDHP 0.06
4 FRRFSFRDHP 0.1
5 QRRFSFREHP 0.1
6 QRRHSFRPHP 0.11
7 FRRFSFREHP 0.15
8 FRRHSFRPHP 0.16
9 QRRHSFRDHP 0.17
10 QRRHSFREHP 0.21
11 FRRHSFRDHP 0.22
12 FRRHSFREHP 0.26
13 QMRFSFRPHP 0.28
14 QRRFSFRPSP 0.29
15 FMRFSFRPHP 0.33
16 FRRFSFRPSP 0.34
17 QMRFSFRDHP 0.34
18 QRRFSFRDSP 0.35
19 QRRKSFRPHP 0.36
20 QRRFKFRPHP 0.36
21 QMRFSFREHP 0.38
22 FMRFSFRDHP 0.39
23 QRRFSFRESP 0.39
24 QRRFNFRPHP 0.39
25 QMRHSFRPHP 0.4
26 FRRFSFRDSP 0.4
27 FRRKSFRPHP 0.41
28 FRRFKFRPHP 0.41
29 QRRKSFRDHP 0.41
30 QRRHSFRPSP 0.41
31 QRRFKFRDHP 0.42
32 FMRFSFREHP 0.43
33 FRRFSFRESP 0.44
34 FMRHSFRPHP 0.44
35 FRRFNFRPHP 0.44
36 FRRHSFRPSP 0.45
37 QRRFNFRDHP 0.45
38 QMRHSFRDHP 0.45
39 FRRKSFRDHP 0.46
40 QRRKSFREHP 0.46
41 QRRHSFRDSP 0.46
42 QRRFKFREHP 0.46
43 FRRFKFRDHP 0.47
44 QRRHKFRPHP 0.48
45 QRRFNFREHP 0.49
46 QMRHSFREHP 0.49
47 FRRFNFRDHP 0.49
48 QRRHNFRPHP 0.5
49 FMRHSFRDHP 0.5
50 FRRKSFREHP 0.5
51 QRRHSFRESP 0.5
52 FRRFKFREHP 0.51
53 FRRHSFRDSP 0.51
54 QRRHKFRDHP 0.53
55 FRRFNFREHP 0.53
56 FRRHKFRPHP 0.53
57 FMRHSFREHP 0.54
58 FRRHSFRESP 0.55
59 FRRHNFRPHP 0.55
60 QRRHNFRDHP 0.56
61 QRRHKFREHP 0.57
62 QMRFSFRPSP 0.57
63 FRRHKFRDHP 0.58
64 QRRHNFREHP 0.6
65 FRRHNFRDHP 0.61
66 FMRFSFRPSP 0.62
67 FRRHKFREHP 0.62
68 QMRFSFRDSP 0.63
69 QMRKSFRPHP 0.64
70 FRRHNFREHP 0.65
71 QRRKSFRPSP 0.65
72 QMRFKFRPHP 0.65
73 QRRFKFRPSP 0.66
74 QMRFNFRPHP 0.67
75 QMRFSFRESP 0.67
76 FMRFSFRDSP 0.68
77 QRRFNFRPSP 0.68
78 FMRKSFRPHP 0.69
79 FMRFKFRPHP 0.69
80 QMRHSFRPSP 0.69
81 FRRFKFRPSP 0.7
82 FRRKSFRPSP 0.7
83 QMRFKFRDHP 0.7
84 QMRKSFRDHP 0.7
85 QRRFKFRDSP 0.71
86 QRRKSFRDSP 0.71
87 QRRKKFRPHP 0.72
88 FMRFSFRESP 0.72
89 FMRFNFRPHP 0.72
90 QMRFNFRDHP 0.73
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRRFKFRPHP

5.63

-14.3

-8.67
2 QRRHSFRPHP

6.2

-13.89

-7.69
3 QRRFKFRPHP

6.46

-13.93

-7.47
4 QRRHSFREHP

6.11

-13.23

-7.12
5 QRRKSFRDHP

5.82

-12.42

-6.6
6 FRRHSFREHP

4.91

-11.48

-6.57
7 FRRHSFRDHP

5.78

-12.18

-6.4
8 QRRFNFRPHP

5.37

-11.69

-6.32
9 QMRHSFRPHP

5.09

-11.37

-6.28
10 FRRFSFRPHP

6.83

-13.09

-6.26
11 QRRFSFREHP

5.07

-11.24

-6.17
12 QRRFSFRDHP

5.51

-11.41

-5.9
13 FRRFSFRDHP

5.5

-11.1

-5.6
14 QRRHSFRDHP

4.76

-10.15

-5.39
15 QMRFSFREHP

4.62

-9.95

-5.33
16 QRRHSFRPSP

5.86

-11.1

-5.24
17 FRRFSFRDSP

6.02

-11.14

-5.12
18 QMRFSFRPHP

5.02

-10.04

-5.02
19 FRRKSFRPHP

4.93

-9.92

-4.99
20 QRRKSFRPHP

5.26

-10.13

-4.87
21 FMRFSFRDHP

4.3

-9.02

-4.72
22 QMRFSFRDHP

4.79

-9.44

-4.65
23 QRRFSFRPHP

5.06

-9.59

-4.53
24 QRRFSFRPSP

5.99

-10.27

-4.28
25 FRRHSFRPHP

7.34

-11.39

-4.05
26 FMRFSFRPHP

4.99

-8.86

-3.87
27 QRRFSFRESP

4.84

-8.23

-3.39
28 FRRFSFREHP

5.6

-8.39

-2.79
29 FRRFSFRPSP

4.94

-7.61

-2.67
30 QRRFSFRDSP

7.65

-9.35

-1.7

 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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