Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-14.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
poly-Ala
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 3.848 ΔGbinding -2.412
TOTAL
 1.436
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.219
Van der Waals -4.100 Backbone clash 0.109
Electrostatics 0.506 Helix dipole 0.000
Solvation Polar 3.838 Water bridges 0.000
Solvation Hyd -6.599 Disulfide 0.000
VdW clashes 0.190 Electrost. Kon 0.684
Entropy sc 0.479 Part.cov.bonds 0.000
Entropy mc

3.645

 ΔGstability

93.366
       

Predicted ligand sequences for model [BBC1_2SRC-14.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_2SRC-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 KDFLRFRRR 0.0
2 KDPLRFRRR 0.03
3 KPFLRFRRR 0.04
4 KPPLRFRRR 0.07
5 KDYLRFRRR 0.07
6 KPYLRFRRR 0.11
7 KWFLRFRRR 0.14
8 KWPLRFRRR 0.17
9 KWYLRFRRR 0.21
10 KDFIRFRRR 0.21
11 KDPIRFRRR 0.24
12 KPFIRFRRR 0.25
13 KDYIRFRRR 0.28
14 KDFLRFRRM 0.28
15 KPPIRFRRR 0.28
16 KDPLRFRRM 0.31
17 KPFLRFRRM 0.32
18 KPYIRFRRR 0.32
19 KPPLRFRRM 0.35
20 KWFIRFRRR 0.35
21 KDYLRFRRM 0.35
22 KWPIRFRRR 0.38
23 KPYLRFRRM 0.39
24 KWYIRFRRR 0.42
25 KWFLRFRRM 0.42
26 IDFLRFRRR 0.43
27 KWPLRFRRM 0.45
28 IDPLRFRRR 0.46
29 IPFLRFRRR 0.47
30 KDFMRFRRR 0.48
31 KWYLRFRRM 0.49
32 KDFIRFRRM 0.49
33 IPPLRFRRR 0.5
34 IDYLRFRRR 0.51
35 KDPMRFRRR 0.51
36 KDPIRFRRM 0.52
37 KPFMRFRRR 0.52
38 KPFIRFRRM 0.53
39 IPYLRFRRR 0.54
40 KDYMRFRRR 0.55
41 KPPMRFRRR 0.55
42 KPPIRFRRM 0.55
43 KDYIRFRRM 0.56
44 IWFLRFRRR 0.58
45 KPYMRFRRR 0.59
46 KPYIRFRRM 0.6
47 IWPLRFRRR 0.61
48 KWFMRFRRR 0.62
49 KWFIRFRRM 0.63
50 IDFIRFRRR 0.64
51 IWYLRFRRR 0.65
52 KWPMRFRRR 0.65
53 KWPIRFRRM 0.66
54 IDPIRFRRR 0.67
55 IPFIRFRRR 0.68
56 KWYIRFRRM 0.7
57 KWYMRFRRR 0.7
58 IPPIRFRRR 0.71
59 IDFLRFRRM 0.71
60 IDYIRFRRR 0.71
61 IDPLRFRRM 0.74
62 IPFLRFRRM 0.75
63 IPYIRFRRR 0.75
64 KDFMRFRRM 0.76
65 IPPLRFRRM 0.78
66 IDYLRFRRM 0.78
67 KDPMRFRRM 0.79
68 IWFIRFRRR 0.79
69 KPFMRFRRM 0.8
70 IWPIRFRRR 0.81
71 IPYLRFRRM 0.82
72 KDYMRFRRM 0.83
73 KPPMRFRRM 0.83
74 IWFLRFRRM 0.85
75 IWYIRFRRR 0.86
76 KPYMRFRRM 0.87
77 IWPLRFRRM 0.88
78 KWFMRFRRM 0.9
79 IDFMRFRRR 0.92
80 IDFIRFRRM 0.92
81 IWYLRFRRM 0.93
82 KWPMRFRRM 0.93
83 IDPIRFRRM 0.95
84 IDPMRFRRR 0.95
85 IPFMRFRRR 0.95
86 IPFIRFRRM 0.96
87 KWYMRFRRM 0.97
88 IPPMRFRRR 0.98
89 IPPIRFRRM 0.99
90 IDYMRFRRR 0.99
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KPFIRFRRR

4.09

-11.85

-7.76
2 KPPLRFRRM

4.63

-11.22

-6.59
3 KWFIRFRRR

5.42

-11.74

-6.32
4 KPFLRFRRM

4.07

-10.38

-6.31
5 KPYIRFRRR

4.99

-10.95

-5.96
6 KPYLRFRRM

4.8

-10.65

-5.85
7 KWYIRFRRR

5.0

-10.77

-5.77
8 KPFLRFRRR

2.98

-8.56

-5.58
9 KDYIRFRRR

4.24

-9.75

-5.51
10 KPPIRFRRR

4.79

-10.25

-5.46
11 KWPIRFRRR

5.83

-11.2

-5.37
12 IDPLRFRRR

5.71

-10.86

-5.15
13 KPPLRFRRR

5.08

-10.0

-4.92
14 KDYLRFRRM

4.99

-9.88

-4.89
15 KDFIRFRRR

4.48

-9.18

-4.7
16 KPYLRFRRR

4.98

-9.66

-4.68
17 KDYLRFRRR

4.24

-8.82

-4.58
18 KWPLRFRRM

5.08

-9.41

-4.33
19 IDFLRFRRR

3.62

-7.91

-4.29
20 KWFLRFRRM

5.08

-9.1

-4.02
21 KDPLRFRRM

4.56

-8.46

-3.9
22 KWFLRFRRR

4.37

-8.11

-3.74
23 KDFLRFRRM

5.21

-8.88

-3.67
24 KDPIRFRRR

4.32

-7.82

-3.5
25 KDPLRFRRR

5.13

-8.54

-3.41
26 KWYLRFRRR

5.37

-8.32

-2.95
27 KWPLRFRRR

4.51

-7.33

-2.82
28 IPFLRFRRR

5.77

-8.58

-2.81
29 KDFMRFRRR

5.18

-7.76

-2.58
30 KDFLRFRRR

5.58

-8.06

-2.48

 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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