Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-26.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 2.611 ΔGbinding -2.140
TOTAL
 0.471
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.480
Van der Waals -3.773 Backbone clash 0.001
Electrostatics 0.329 Helix dipole 0.000
Solvation Polar 3.216 Water bridges -0.001
Solvation Hyd -5.934 Disulfide 0.000
VdW clashes 0.012 Electrost. Kon 0.458
Entropy sc 0.326 Part.cov.bonds 0.000
Entropy mc

2.747

 ΔGstability

89.872
       

Predicted ligand sequences for model [BBC1_2SRC-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 IDPPRRFHW 0.0
2 IEPPRRFHW 0.01
3 IDPPKRFHW 0.08
4 IDPPRRFPW 0.08
5 IEPPRRFPW 0.09
6 IEPPKRFHW 0.09
7 IDMPRRFHW 0.1
8 IDPPRRFRW 0.1
9 IEPPRRFRW 0.11
10 IEMPRRFHW 0.11
11 IDPPRRFHF 0.12
12 IEPPRRFHF 0.12
13 MDPPRRFHW 0.16
14 IDPPKRFPW 0.17
15 MEPPRRFHW 0.17
16 IDPPHRFHW 0.17
17 IEPPHRFHW 0.18
18 IDMPRRFPW 0.18
19 IEPPKRFPW 0.18
20 EDPPRRFHW 0.18
21 IDMPKRFHW 0.18
22 IDPPKRFRW 0.18
23 IEMPRRFPW 0.19
24 IEMPKRFHW 0.19
25 EEPPRRFHW 0.19
26 IDMPRRFRW 0.19
27 IEPPKRFRW 0.19
28 IDPPKRFHF 0.2
29 IEMPRRFRW 0.2
30 IDPPRRFPF 0.2
31 IEPPRRFPF 0.21
32 IDMPRRFHF 0.21
33 IDPPRRFRF 0.21
34 IEPPKRFHF 0.21
35 IEMPRRFHF 0.22
36 IEPPRRFRF 0.22
37 MDPPKRFHW 0.24
38 MDPPRRFPW 0.24
39 IRPPRRFHW 0.25
40 MDMPRRFHW 0.25
41 MEPPRRFPW 0.25
42 MDPPRRFRW 0.25
43 MEPPKRFHW 0.25
44 MEPPRRFRW 0.26
45 EDPPKRFHW 0.26
46 EDPPRRFPW 0.26
47 IDPPHRFPW 0.26
48 MEMPRRFHW 0.26
49 IDMPKRFPW 0.26
50 MDPPRRFHF 0.27
51 EEPPRRFPW 0.27
52 EDMPRRFHW 0.27
53 EDPPRRFRW 0.27
54 EEPPKRFHW 0.27
55 IDMPHRFHW 0.27
56 IEMPKRFPW 0.27
57 IEPPHRFPW 0.27
58 IDPPHRFRW 0.27
59 IDPPRRFHR 0.28
60 IEMPHRFHW 0.28
61 IEPPHRFRW 0.28
62 IDMPKRFRW 0.28
63 MEPPRRFHF 0.28
64 IDPPKRFPF 0.28
65 EEPPRRFRW 0.28
66 EEMPRRFHW 0.28
67 IEMPKRFRW 0.29
68 IEPPKRFPF 0.29
69 EDPPRRFHF 0.29
70 IDMPRRFPF 0.29
71 IDPPHRFHF 0.29
72 IDMPKRFHF 0.29
73 IEPPRRFHR 0.29
74 IEPPHRFHF 0.3
75 IEMPRRFPF 0.3
76 IEMPKRFHF 0.3
77 EEPPRRFHF 0.3
78 IDPPKRFRF 0.3
79 IDMPRRFRF 0.31
80 IEPPKRFRF 0.31
81 MDPPKRFPW 0.32
82 IEMPRRFRF 0.32
83 IRPPRRFPW 0.33
84 IRPPKRFHW 0.33
85 MDPPHRFHW 0.33
86 IDIPRRFHW 0.33
87 MEPPKRFPW 0.33
88 EDPPKRFPW 0.34
89 MEPPHRFHW 0.34
90 MDPPKRFRW 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 IEPPRRFHW

2.53

-10.33

-7.8
2 MEPPRRFHW

2.76

-10.17

-7.41
3 IDPPRRFHW

2.74

-10.14

-7.4
4 IDPPKRFHW

2.67

-9.87

-7.2
5 IEPPHRFHW

2.5

-9.68

-7.18
6 IEPPRRFRW

2.59

-9.75

-7.16
7 EEPPRRFHW

2.77

-9.61

-6.84
8 IDMPRRFRW

2.59

-9.4

-6.81
9 IDMPKRFHW

2.68

-9.45

-6.77
10 IEPPKRFRW

2.76

-9.49

-6.73
11 IDPPRRFPW

2.51

-9.24

-6.73
12 IDPPRRFPF

2.64

-9.33

-6.69
13 IDPPHRFHW

2.42

-9.09

-6.67
14 IDPPKRFHF

2.2

-8.85

-6.65
15 IEMPRRFPW

3.66

-10.26

-6.6
16 IDPPRRFHF

3.62

-10.1

-6.48
17 IEMPKRFHW

2.81

-9.29

-6.48
18 IEPPKRFHW

2.69

-9.16

-6.47
19 IEPPRRFPW

2.61

-9.06

-6.45
20 IDPPKRFRW

2.69

-9.12

-6.43
21 IEMPRRFHW

2.61

-8.99

-6.38
22 IEMPRRFRW

3.45

-9.82

-6.37
23 MDPPRRFHW

3.5

-9.84

-6.34
24 IEPPKRFPW

2.49

-8.81

-6.32
25 IDPPKRFPW

2.87

-9.19

-6.32
26 IEPPRRFHF

3.81

-10.01

-6.2
27 IDMPRRFHW

3.21

-9.38

-6.17
28 IDMPRRFPW

3.35

-9.42

-6.07
29 IDPPRRFRW

2.56

-8.57

-6.01
30 EDPPRRFHW

3.06

-9.02

-5.96

 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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