Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-28.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 3.895 ΔGbinding -0.777
TOTAL
 3.118
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.428
Van der Waals -4.722 Backbone clash 0.108
Electrostatics 0.624 Helix dipole 0.000
Solvation Polar 4.414 Water bridges 0.000
Solvation Hyd -7.493 Disulfide 0.000
VdW clashes 1.424 Electrost. Kon 0.786
Entropy sc 0.435 Part.cov.bonds 0.000
Entropy mc

3.328

 ΔGstability

92.060
       

Predicted ligand sequences for model [BBC1_2SRC-28.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-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRFKYRKM 0.0
2 RPRRFKYRKR 0.05
3 RPRRFKYRKW 0.08
4 RPRRFKHRKM 0.08
5 RPPRFKYRKM 0.09
6 RKRRFKYRKM 0.1
7 RPHRFKYRKM 0.11
8 RPRRFKHRKR 0.13
9 RPPRFKYRKR 0.14
10 RPRRFPYRKM 0.14
11 RKRRFKYRKR 0.15
12 KPRRFKYRKM 0.15
13 RPRRFKYRRM 0.15
14 FPRRFKYRKM 0.16
15 RPHRFKYRKR 0.16
16 RPRRFKHRKW 0.16
17 RPPRFKYRKW 0.17
18 RPPRFKHRKM 0.17
19 RKRRFKYRKW 0.18
20 RPHRFKHRKM 0.19
21 RPHRFKYRKW 0.19
22 RPRRFKYRMM 0.19
23 RKRRFKHRKM 0.19
24 RPRRFPYRKR 0.19
25 KPRRFKYRKR 0.2
26 RKPRFKYRKM 0.2
27 RPRRFKYRRR 0.2
28 RPRRFRYRKM 0.21
29 RKHRFKYRKM 0.21
30 FPRRFKYRKR 0.21
31 RPRRFKRRKM 0.22
32 RPPRFKHRKR 0.22
33 RPRRFPHRKM 0.22
34 RPRRFPYRKW 0.22
35 KPRRFKHRKM 0.23
36 RPPRFPYRKM 0.23
37 KPRRFKYRKW 0.23
38 RKRRFKHRKR 0.23
39 RPRRFKYRRW 0.23
40 RPHRFKHRKR 0.24
41 RPHRFPYRKM 0.24
42 KPPRFKYRKM 0.24
43 RPRRFKYRMR 0.24
44 RKPRFKYRKR 0.24
45 RPRRFKHRRM 0.24
46 FPRRFKHRKM 0.24
47 FPRRFKYRKW 0.24
48 RKRRFPYRKM 0.24
49 RPPRFKYRRM 0.25
50 RPPRFKHRKW 0.25
51 KKRRFKYRKM 0.25
52 RKRRFKYRRM 0.26
53 KPHRFKYRKM 0.26
54 FPPRFKYRKM 0.26
55 RPHRFKYRRM 0.26
56 RKHRFKYRKR 0.26
57 RPRRFRYRKR 0.26
58 RPHRFKHRKW 0.27
59 FPHRFKYRKM 0.27
60 RPRRFKYRMW 0.27
61 RPRRFKRRKR 0.27
62 RPRRFPHRKR 0.27
63 RKRRFKHRKW 0.27
64 RPRRFKHRMM 0.27
65 FKRRFKYRKM 0.27
66 KPRRFKHRKR 0.28
67 RKPRFKHRKM 0.28
68 RPPRFKYRMM 0.28
69 RPPRFPYRKR 0.28
70 RPRRFKHRRR 0.28
71 RKPRFKYRKW 0.28
72 RPHRFPYRKR 0.29
73 RPRRFRYRKW 0.29
74 RPRRFRHRKM 0.29
75 KPPRFKYRKR 0.29
76 RPPRFKYRRR 0.29
77 RKHRFKYRKW 0.29
78 RKHRFKHRKM 0.29
79 RPRRFPYRRM 0.29
80 FPRRFKHRKR 0.29
81 RKRRFPYRKR 0.29
82 KPRRFPYRKM 0.29
83 KPHRFKYRKR 0.3
84 FPPRFKYRKR 0.3
85 RKRRFKYRMM 0.3
86 RPRRFKRRKW 0.3
87 RPHRFKYRMM 0.3
88 RPRRFPHRKW 0.3
89 KPRRFKYRRM 0.3
90 FPRRFPYRKM 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KPRRFKYRKR

4.69

-15.04

-10.35
2 RPRRFPYRKM

3.42

-13.64

-10.22
3 RPRRFKYRMM

3.42

-13.48

-10.06
4 RPRRFPYRKR

4.63

-13.37

-8.74
5 RPRRFKYRKM

4.81

-13.26

-8.45
6 RPRRFKYRRM

5.29

-13.42

-8.13
7 RPHRFKYRKR

4.88

-12.71

-7.83
8 RPRRFKYRRR

5.43

-13.03

-7.6
9 RPRRFKYRKR

5.14

-12.26

-7.12
10 RPRRFRYRKM

4.49

-11.58

-7.09
11 FPRRFKYRKR

7.29

-14.32

-7.03
12 RKRRFKYRKR

5.02

-12.04

-7.02
13 RPPRFKYRKM

5.79

-12.77

-6.98
14 RKRRFKYRKM

4.01

-10.98

-6.97
15 RPRRFKYRKW

6.24

-13.01

-6.77
16 RPPRFKYRKR

4.88

-11.62

-6.74
17 RPHRFKYRKM

5.79

-12.4

-6.61
18 KPRRFKYRKM

5.61

-12.22

-6.61
19 RPPRFKYRKW

7.45

-13.91

-6.46
20 RKRRFKYRKW

6.23

-12.66

-6.43
21 RKPRFKYRKM

5.9

-11.96

-6.06
22 FPRRFKYRKM

5.78

-11.62

-5.84
23 RPRRFKHRKR

4.16

-9.95

-5.79
24 RPHRFKYRKW

5.83

-11.44

-5.61
25 RPPRFKHRKM

5.71

-11.22

-5.51
26 RPHRFKHRKM

5.32

-10.78

-5.46
27 RKHRFKYRKM

6.2

-11.15

-4.95
28 RPRRFKHRKM

5.89

-10.06

-4.17
29 RKRRFKHRKM

5.96

-10.12

-4.16
30 RPRRFKHRKW

5.67

-9.08

-3.41

 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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