Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-8.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.924 ΔGbinding -2.307
TOTAL
 -1.383
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.706
Van der Waals -3.123 Backbone clash 0.114
Electrostatics 0.013 Helix dipole 0.000
Solvation Polar 2.736 Water bridges 0.000
Solvation Hyd -4.645 Disulfide 0.000
VdW clashes 0.123 Electrost. Kon -0.022
Entropy sc 0.178 Part.cov.bonds 0.000
Entropy mc

1.727

 ΔGstability

23.702
       

Predicted ligand sequences for model [NBP2_1SEM-8.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).
 
  NBP2_1SEM-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRRPRPRR 0.0
2 HRRPRPRF 0.01
3 HRRPRPPR 0.02
4 HRRPRPPF 0.03
5 HRRPRPHR 0.06
6 HRRPRPHF 0.07
7 HRRWRPRR 0.14
8 HRRWRPRF 0.15
9 HRRWRPPR 0.16
10 HRRWRPPF 0.17
11 HRRIRPRR 0.18
12 HRRIRPRF 0.18
13 HRRIRPPR 0.2
14 HRRWRPHR 0.2
15 HRRIRPPF 0.21
16 HRRWRPHF 0.21
17 RRRPRPRR 0.22
18 RRRPRPRF 0.23
19 HRRIRPHF 0.24
20 HRRIRPHR 0.24
21 RRRPRPPR 0.24
22 HRRPMPRR 0.24
23 HRRPMPRF 0.24
24 RRRPRPPF 0.25
25 HRRPMPPR 0.26
26 KRRPRPRR 0.26
27 HRRPMPPF 0.27
28 KRRPRPRF 0.27
29 RRRPRPHR 0.28
30 KRRPRPPR 0.28
31 RRRPRPHF 0.29
32 KRRPRPPF 0.29
33 HRRPMPHF 0.3
34 HRRPMPHR 0.3
35 KRRPRPHR 0.32
36 KRRPRPHF 0.33
37 RRRWRPRR 0.36
38 RRRWRPRF 0.37
39 HRRWMPRR 0.38
40 RRRWRPPR 0.38
41 RRRIRPRR 0.39
42 HRRWMPRF 0.39
43 RRRWRPPF 0.39
44 RRRIRPRF 0.4
45 HRRWMPPR 0.4
46 KRRWRPRR 0.4
47 HRRWMPPF 0.41
48 KRRWRPRF 0.41
49 HRRIMPRR 0.41
50 KRRWRPPR 0.42
51 RRRIRPPF 0.42
52 RRRIRPPR 0.42
53 RRRWRPHR 0.42
54 HRRIMPRF 0.42
55 RRRWRPHF 0.43
56 KRRWRPPF 0.43
57 KRRIRPRR 0.43
58 HRRIMPPR 0.43
59 HRRWMPHR 0.44
60 KRRIRPRF 0.44
61 HRRIMPPF 0.44
62 RRRPMPRR 0.45
63 RRRIRPHR 0.45
64 HRRWMPHF 0.45
65 KRRWRPHR 0.46
66 RRRIRPHF 0.46
67 KRRIRPPF 0.46
68 KRRIRPPR 0.46
69 RRRPMPRF 0.46
70 KRRWRPHF 0.47
71 RRRPMPPR 0.47
72 HRRIMPHR 0.47
73 RRRPMPPF 0.48
74 HRRIMPHF 0.48
75 KRRIRPHR 0.49
76 KRRPMPRR 0.49
77 KRRIRPHF 0.5
78 KRRPMPRF 0.5
79 RRRPMPHR 0.51
80 KRRPMPPF 0.52
81 KRRPMPPR 0.52
82 RRRPMPHF 0.52
83 KRRPMPHR 0.55
84 KRRPMPHF 0.56
85 RRRWMPRR 0.59
86 RRRWMPRF 0.6
87 RRRWMPPR 0.61
88 RRRWMPPF 0.62
89 KRRWMPRR 0.63
90 RRRIMPRR 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRRPMPPF

1.77

-11.14

-9.37
2 RRRPRPPR

2.16

-11.12

-8.96
3 HRRPRPRF

2.26

-10.84

-8.58
4 HRRIRPPF

2.39

-10.55

-8.16
5 HRRPRPRR

2.16

-10.24

-8.08
6 HRRIRPHR

2.39

-10.41

-8.02
7 RRRPRPPF

2.45

-10.45

-8.0
8 HRRIRPRR

2.35

-10.32

-7.97
9 HRRPMPRF

1.63

-9.57

-7.94
10 KRRPRPPR

1.97

-9.82

-7.85
11 HRRPRPPR

2.65

-10.36

-7.71
12 HRRPMPPR

2.61

-10.14

-7.53
13 HRRPMPRR

1.81

-9.06

-7.25
14 HRRIRPPR

2.91

-10.06

-7.15
15 RRRPRPHR

2.28

-9.25

-6.97
16 HRRWRPHR

2.92

-9.82

-6.9
17 HRRIRPRF

2.2

-8.89

-6.69
18 RRRPRPRF

2.23

-8.84

-6.61
19 KRRPRPRF

2.01

-8.62

-6.61
20 HRRIRPHF

2.78

-9.36

-6.58
21 HRRWRPHF

1.84

-8.38

-6.54
22 HRRPRPHR

1.93

-8.18

-6.25
23 HRRWRPRF

1.8

-7.79

-5.99
24 HRRPRPHF

2.46

-8.33

-5.87
25 RRRPRPRR

2.54

-8.28

-5.74
26 HRRPRPPF

2.07

-7.73

-5.66
27 KRRPRPRR

2.2

-7.84

-5.64
28 HRRWRPPR

2.8

-8.28

-5.48
29 HRRWRPPF

2.91

-8.21

-5.3
30 HRRWRPRR

2.62

-7.9

-5.28

 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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