Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-2.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 4.030 ΔGbinding 6.114
TOTAL
 10.144
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 1.024
Van der Waals -4.534 Backbone clash 0.010
Electrostatics 0.105 Helix dipole 0.000
Solvation Polar 5.413 Water bridges -0.005
Solvation Hyd -6.890 Disulfide 0.000
VdW clashes 9.961 Electrost. Kon 0.175
Entropy sc 1.507 Part.cov.bonds 0.000
Entropy mc

2.409

 ΔGstability

36.605
       

Predicted ligand sequences for model [NBP2_1SEM-2.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-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MLPRPFRRMR 0.0
2 MLPRPYRRMR 0.06
3 MLRRPFRRMR 0.07
4 MLPRKFRRMR 0.1
5 MLPRPFRRRR 0.12
6 MLKRPFRRMR 0.13
7 MLRRPYRRMR 0.13
8 MLPRRFRRMR 0.14
9 MLPRKYRRMR 0.16
10 MLPRPYRRRR 0.17
11 MLRRKFRRMR 0.18
12 MLKRPYRRMR 0.18
13 MLRRPFRRRR 0.19
14 MLPRRYRRMR 0.2
15 MLPRKFRRRR 0.22
16 MLPRPRRRMR 0.22
17 MLRRRFRRMR 0.22
18 MLPRPFRHMR 0.23
19 MLKRKFRRMR 0.23
20 MLKRPFRRRR 0.24
21 MLRRKYRRMR 0.24
22 MLRRPYRRRR 0.25
23 MLPRRFRRRR 0.26
24 LLPRPFRRMR 0.26
25 MLKRRFRRMR 0.27
26 MLRRRYRRMR 0.28
27 MLPRKYRRRR 0.28
28 MLPRPYRHMR 0.29
29 MLRRPRRRMR 0.29
30 MLRRKFRRRR 0.29
31 MLKRKYRRMR 0.29
32 MLKRPYRRRR 0.3
33 MLRRPFRHMR 0.31
34 MLPRKRRRMR 0.32
35 LLPRPYRRMR 0.32
36 MLPRRYRRRR 0.32
37 MLKRRYRRMR 0.33
38 MLRRRFRRRR 0.33
39 MLPRPRRRRR 0.33
40 MLPRKFRHMR 0.34
41 LLRRPFRRMR 0.34
42 MLPRPFRRKR 0.34
43 MLPRPFRHRR 0.35
44 MLKRPRRRMR 0.35
45 MLKRKFRRRR 0.35
46 MLRRKYRRRR 0.35
47 LLPRKFRRMR 0.36
48 MLKRPFRHMR 0.36
49 MLPRRRRRMR 0.36
50 MLRRPYRHMR 0.36
51 MLPRRFRHMR 0.38
52 LLPRPFRRRR 0.38
53 MLKRRFRRRR 0.39
54 LLKRPFRRMR 0.39
55 MLPRKYRHMR 0.39
56 LLRRPYRRMR 0.39
57 MLRRRYRRRR 0.39
58 MLRRKRRRMR 0.4
59 MLPRPYRRKR 0.4
60 MLKRKYRRRR 0.4
61 MLRRKFRHMR 0.41
62 MLRRPRRRRR 0.41
63 MLPRPYRHRR 0.41
64 LLPRRFRRMR 0.41
65 MLKRPYRHMR 0.42
66 LLPRKYRRMR 0.42
67 MLRRPFRRKR 0.42
68 MLRRPFRHRR 0.42
69 LLPRPYRRRR 0.43
70 MLPRRYRHMR 0.43
71 MLKRRYRRRR 0.44
72 MLPRKRRRRR 0.44
73 LLRRKFRRMR 0.44
74 MLRRRRRRMR 0.44
75 MLPRPRRHMR 0.45
76 MLRRRFRHMR 0.45
77 LLKRPYRRMR 0.45
78 MLPRKFRHRR 0.45
79 LLRRPFRRRR 0.45
80 MLKRKRRRMR 0.45
81 MLPRKFRRKR 0.45
82 LLPRRYRRMR 0.46
83 MLKRPRRRRR 0.46
84 MLKRKFRHMR 0.46
85 MLKRPFRRKR 0.47
86 MLKRPFRHRR 0.47
87 MLRRKYRHMR 0.47
88 MLPRRRRRRR 0.48
89 LLRRRFRRMR 0.48
90 MLPKPFRRMR 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MLKRPYRRMR

4.81

-11.72

-6.91
2 MLRRPYRRMR

5.38

-11.55

-6.17
3 MLPRPRRRMR

4.7

-10.86

-6.16
4 MLPRPFRRRR

4.23

-10.19

-5.96
5 MLKRRFRRMR

4.86

-10.44

-5.58
6 MLPRKYRRRR

5.17

-10.68

-5.51
7 MLPRPYRRMR

5.11

-10.6

-5.49
8 MLPRPFRHMR

4.5

-9.79

-5.29
9 MLPRPYRHMR

4.42

-9.51

-5.09
10 MLPRKYRRMR

5.69

-10.64

-4.95
11 MLRRPYRRRR

5.17

-10.06

-4.89
12 MLKRPFRRRR

5.11

-9.93

-4.82
13 LLPRPFRRMR

4.07

-8.86

-4.79
14 MLPRPYRRRR

5.06

-9.72

-4.66
15 MLPRKFRRRR

5.16

-9.82

-4.66
16 MLRRRYRRMR

4.96

-9.55

-4.59
17 MLPRPFRRMR

3.99

-8.56

-4.57
18 MLRRPFRRMR

4.42

-8.88

-4.46
19 MLPRRYRRMR

4.49

-8.9

-4.41
20 MLRRKFRRMR

4.44

-8.66

-4.22
21 MLRRRFRRMR

5.23

-9.23

-4.0
22 MLRRKYRRMR

4.6

-8.45

-3.85
23 MLRRKFRRRR

4.33

-8.06

-3.73
24 MLRRPRRRMR

4.76

-8.36

-3.6
25 MLKRKFRRMR

4.86

-8.38

-3.52
26 MLPRRFRRRR

5.28

-8.57

-3.29
27 MLRRPFRRRR

5.68

-8.88

-3.2
28 MLPRKFRRMR

4.92

-7.79

-2.87
29 MLPRRFRRMR

4.96

-7.72

-2.76
30 MLKRPFRRMR

5.09

-7.75

-2.66

 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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