Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_2SRC-23.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala 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 2.755 ΔGbinding -2.316
TOTAL
 0.439
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.272
Van der Waals -1.862 Backbone clash 0.000
Electrostatics -0.168 Helix dipole 0.000
Solvation Polar 1.780 Water bridges 0.000
Solvation Hyd -2.949 Disulfide 0.000
VdW clashes 0.100 Electrost. Kon -0.233
Entropy sc 0.458 Part.cov.bonds 0.000
Entropy mc

1.560

 ΔGstability

88.845
       

Predicted ligand sequences for model [BBC1_2SRC-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPLVPRM 0.0
2 RPLVPRM 0.04
3 MPLVPRW 0.05
4 MPLVRRM 0.07
5 MPLLPRM 0.08
6 RPLVPRW 0.09
7 RPLVRRM 0.11
8 MRLVPRM 0.11
9 MPLVRRW 0.12
10 RPLLPRM 0.12
11 MPLLPRW 0.12
12 RRLVPRM 0.15
13 MPLLRRM 0.15
14 RPLVRRW 0.16
15 MRLVPRW 0.16
16 RPLLPRW 0.17
17 MPLMPRM 0.17
18 MRLVRRM 0.18
19 RPLLRRM 0.19
20 MRLLPRM 0.19
21 MPLLRRW 0.2
22 RRLVPRW 0.2
23 RPLMPRM 0.21
24 MPLMPRW 0.22
25 MRLVRRW 0.23
26 RRLVRRM 0.23
27 RRLLPRM 0.23
28 RPLLRRW 0.24
29 MRLLPRW 0.24
30 WPLVPRM 0.25
31 MPLMRRM 0.25
32 RPLMPRW 0.26
33 MRLLRRM 0.26
34 RRLVRRW 0.27
35 MRLMPRM 0.28
36 RRLLPRW 0.28
37 RPLMRRM 0.29
38 MPLVERM 0.29
39 WPLVPRW 0.3
40 RRLLRRM 0.3
41 MPLMRRW 0.3
42 MRLLRRW 0.31
43 RRLMPRM 0.32
44 MRLMPRW 0.33
45 WPLVRRM 0.33
46 WPLLPRM 0.33
47 RPLVERM 0.33
48 RPLMRRW 0.34
49 MPLVERW 0.34
50 RRLLRRW 0.35
51 WRLVPRM 0.36
52 MRLMRRM 0.36
53 RRLMPRW 0.37
54 MPLLERM 0.37
55 MKLVPRM 0.37
56 WPLVRRW 0.38
57 RPLVERW 0.38
58 WPLLPRW 0.38
59 MRLVERM 0.4
60 WPLLRRM 0.4
61 RRLMRRM 0.4
62 RKLVPRM 0.41
63 WRLVPRW 0.41
64 MRLMRRW 0.41
65 RPLLERM 0.41
66 MPLLERW 0.42
67 MKLVPRW 0.42
68 WPLMPRM 0.42
69 WRLLPRM 0.44
70 RRLVERM 0.44
71 WRLVRRM 0.44
72 MRLVERW 0.45
73 MKLVRRM 0.45
74 WPLLRRW 0.45
75 RRLMRRW 0.45
76 MKLLPRM 0.45
77 RKLVPRW 0.46
78 RPLLERW 0.46
79 MPLVPRR 0.46
80 MPLMERM 0.47
81 WPLMPRW 0.47
82 MRLLERM 0.48
83 RKLVRRM 0.49
84 WRLLPRW 0.49
85 MKLVRRW 0.49
86 RRLVERW 0.49
87 RKLLPRM 0.49
88 WRLVRRW 0.49
89 WPLMRRM 0.5
90 MPLVPWM 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPLMPRM

2.45

-9.84

-7.39
2 MPLMPRM

2.31

-9.63

-7.32
3 MRLVPRM

2.08

-9.23

-7.15
4 MPLMPRW

2.52

-9.52

-7.0
5 MPLLRRM

2.75

-9.64

-6.89
6 MPLVPRM

2.19

-9.04

-6.85
7 MRLLPRM

2.99

-9.67

-6.68
8 RRLVRRM

2.4

-9.06

-6.66
9 MRLVRRM

2.48

-9.1

-6.62
10 RPLVRRM

2.44

-9.03

-6.59
11 MPLVRRM

2.64

-9.15

-6.51
12 RPLLRRM

3.06

-9.45

-6.39
13 MRLLPRW

2.71

-8.99

-6.28
14 RRLLPRM

2.94

-9.16

-6.22
15 MRLVRRW

2.46

-8.67

-6.21
16 RPLLPRM

2.94

-9.12

-6.18
17 RPLLRRW

2.83

-8.99

-6.16
18 MPLLPRW

2.8

-8.94

-6.14
19 MPLVRRW

2.49

-8.6

-6.11
20 MPLLRRW

2.89

-8.99

-6.1
21 RRLVPRM

2.65

-8.62

-5.97
22 RPLVPRM

2.43

-8.32

-5.89
23 MPLLPRM

2.83

-8.7

-5.87
24 MRLVPRW

2.49

-8.23

-5.74
25 RRLVPRW

2.37

-7.98

-5.61
26 MPLVPRW

2.55

-8.13

-5.58
27 RPLLPRW

3.03

-8.49

-5.46
28 RPLVRRW

2.99

-8.36

-5.37
29 RPLVPRW

2.55

-7.82

-5.27
30 WPLVPRM

3.65

-8.29

-4.64

 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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