Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-16.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
G
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 2.756 ΔGbinding 0.782
TOTAL
 3.538
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.972
Van der Waals -4.025 Backbone clash 0.516
Electrostatics 0.111 Helix dipole 0.000
Solvation Polar 3.815 Water bridges -0.026
Solvation Hyd -6.256 Disulfide 0.000
VdW clashes 2.430 Electrost. Kon -0.008
Entropy sc 0.300 Part.cov.bonds 0.000
Entropy mc

3.469

 ΔGstability

31.785
       

Predicted ligand sequences for model [NBP2_1SEM-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFPRPSRRY 0.0
2 RFPRKSRRY 0.08
3 RFFRPSRRY 0.15
4 RHPRPSRRY 0.15
5 RFPRPSRRF 0.18
6 RFRRPSRRY 0.19
7 RFPRRSRRY 0.2
8 RFFRKSRRY 0.23
9 RHPRKSRRY 0.23
10 RFPRPGRRY 0.25
11 RFPRKSRRF 0.27
12 RFRRKSRRY 0.28
13 KFPRPSRRY 0.28
14 RHFRPSRRY 0.3
15 RFFRPSRRF 0.33
16 RFPRKGRRY 0.33
17 RHPRPSRRF 0.33
18 RHRRPSRRY 0.34
19 RFFRRSRRY 0.35
20 RHPRRSRRY 0.35
21 KFPRKSRRY 0.37
22 RFRRPSRRF 0.38
23 RFPRRSRRF 0.38
24 RHFRKSRRY 0.38
25 RFRRRSRRY 0.39
26 RFFRPGRRY 0.4
27 RHPRPGRRY 0.4
28 RFFRKSRRF 0.41
29 RPPRPSRRY 0.41
30 FFPRPSRRY 0.41
31 RHPRKSRRF 0.41
32 RHRRKSRRY 0.42
33 KHPRPSRRY 0.43
34 KFFRPSRRY 0.43
35 RFPRPGRRF 0.43
36 RFRRPGRRY 0.44
37 RFPRRGRRY 0.45
38 RFRRKSRRF 0.46
39 KFPRPSRRF 0.47
40 KFRRPSRRY 0.48
41 RHPRKGRRY 0.48
42 KFPRRSRRY 0.48
43 RHFRPSRRF 0.48
44 RFFRKGRRY 0.48
45 RPPRKSRRY 0.49
46 FFPRKSRRY 0.49
47 RHFRRSRRY 0.5
48 RFPRKGRRF 0.51
49 KHPRKSRRY 0.51
50 KFFRKSRRY 0.52
51 RFFRRSRRF 0.53
52 RHRRPSRRF 0.53
53 RHPRRSRRF 0.53
54 RFRRKGRRY 0.53
55 KFPRPGRRY 0.53
56 RHRRRSRRY 0.54
57 KFPRKSRRF 0.55
58 RHFRPGRRY 0.55
59 FHPRPSRRY 0.55
60 FFFRPSRRY 0.56
61 RPFRPSRRY 0.56
62 KFRRKSRRY 0.56
63 RHFRKSRRF 0.56
64 KHFRPSRRY 0.58
65 RFFRPGRRF 0.58
66 RHPRPGRRF 0.58
67 RFRRRSRRF 0.58
68 RHRRPGRRY 0.59
69 RPPRPSRRF 0.59
70 FFPRPSRRF 0.59
71 RFFRRGRRY 0.6
72 FFRRPSRRY 0.6
73 FFPRRSRRY 0.6
74 RHPRRGRRY 0.6
75 RPPRRSRRY 0.6
76 RPRRPSRRY 0.6
77 KFPRKGRRY 0.61
78 RHRRKSRRF 0.61
79 KHPRPSRRF 0.62
80 KFFRPSRRF 0.62
81 RHFRKGRRY 0.63
82 KHRRPSRRY 0.63
83 RFPRRGRRF 0.63
84 KFFRRSRRY 0.63
85 KHPRRSRRY 0.63
86 RFRRPGRRF 0.63
87 RFRRRGRRY 0.64
88 FFFRKSRRY 0.64
89 FHPRKSRRY 0.64
90 RPFRKSRRY 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFPRPGRRY

4.52

-10.78

-6.26
2 RHPRPSRRF

5.65

-10.83

-5.18
3 RFPRKSRRF

6.36

-11.11

-4.75
4 RFRRKSRRY

5.32

-9.72

-4.4
5 RHPRKSRRY

5.23

-9.51

-4.28
6 RFPRRSRRF

6.45

-10.69

-4.24
7 RHPRPGRRY

4.23

-8.41

-4.18
8 RHPRPSRRY

6.01

-10.14

-4.13
9 RFFRKSRRF

4.35

-8.35

-4.0
10 RHRRPSRRY

5.04

-9.01

-3.97
11 RPPRPSRRY

5.08

-9.02

-3.94
12 RFFRRSRRY

4.23

-7.74

-3.51
13 RHPRRSRRY

6.04

-9.42

-3.38
14 RFRRPSRRF

5.84

-9.13

-3.29
15 RFFRPSRRF

6.66

-9.81

-3.15
16 RFPRPSRRY

5.78

-8.6

-2.82
17 RFFRPSRRY

5.15

-7.79

-2.64
18 KFPRPSRRY

6.91

-9.53

-2.62
19 RFFRKSRRY

5.02

-7.63

-2.61
20 RFRRPSRRY

5.19

-7.7

-2.51
21 RFFRPGRRY

4.13

-6.42

-2.29
22 RFPRKSRRY

5.4

-7.32

-1.92
23 RHFRPSRRY

5.13

-6.87

-1.74
24 KFPRKSRRY

4.85

-6.54

-1.69
25 RFRRRSRRY

6.64

-8.17

-1.53
26 RFPRKGRRY

4.55

-5.93

-1.38
27 RFPRRSRRY

5.11

-6.46

-1.35
28 FFPRPSRRY

5.42

-5.55

-0.13
29 RHFRKSRRY

5.39

-5.48

-0.09
30 RFPRPSRRF

6.67

-5.85

0.82

 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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