Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-15.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
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 0.523 ΔGbinding -0.116
TOTAL
 0.407
Backbone Hb -0.187 Cis_bond 0.000
Sidechain Hb -0.188 Torsional clash 0.294
Van der Waals -3.538 Backbone clash 0.101
Electrostatics -0.638 Helix dipole 0.000
Solvation Polar 5.175 Water bridges 0.000
Solvation Hyd -5.025 Disulfide 0.000
VdW clashes 0.370 Electrost. Kon -0.466
Entropy sc 0.811 Part.cov.bonds 0.000
Entropy mc

3.276

 ΔGstability

19.539
       

Predicted ligand sequences for model [NBP2_1YN8-15.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_1YN8-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRFIIRKIR 0.0
2 RRWIIRKIR 0.01
3 RRFIIRRIR 0.02
4 RRFIIRLIR 0.03
5 RRWIIRRIR 0.03
6 RRWIIRLIR 0.04
7 RRYIIRKIR 0.08
8 RFFIIRKIR 0.09
9 RFWIIRKIR 0.1
10 RRYIIRRIR 0.1
11 RRFIKRKIR 0.1
12 RFFIIRRIR 0.1
13 RFFIIRLIR 0.11
14 RRYIIRLIR 0.11
15 RRFIKRRIR 0.12
16 RFWIIRRIR 0.12
17 RRWIKRKIR 0.12
18 RFWIIRLIR 0.13
19 RRFIKRLIR 0.13
20 RRWIKRRIR 0.14
21 RRWIKRLIR 0.15
22 RFYIIRKIR 0.17
23 RRFIVRKIR 0.17
24 RRFIVRRIR 0.18
25 RFYIIRRIR 0.18
26 RRWIVRKIR 0.18
27 RFFIKRKIR 0.19
28 RRFIVRLIR 0.19
29 RRYIKRKIR 0.19
30 RFWIKRKIR 0.2
31 RFYIIRLIR 0.2
32 RRWIVRRIR 0.2
33 RRWIVRLIR 0.21
34 RFFIKRRIR 0.21
35 RRYIKRRIR 0.21
36 RFFIKRLIR 0.22
37 RFWIKRRIR 0.22
38 RRYIKRLIR 0.22
39 RFWIKRLIR 0.23
40 RFFIVRKIR 0.25
41 RRYIVRKIR 0.25
42 RRFRIRKIR 0.25
43 RRFIIRKTR 0.26
44 RRWRIRKIR 0.26
45 RFWIVRKIR 0.26
46 RFYIKRKIR 0.27
47 RRWIIRKTR 0.27
48 RRYIVRRIR 0.27
49 RFFIVRRIR 0.27
50 RRFRIRRIR 0.27
51 RRYIVRLIR 0.28
52 RIFIIRKIR 0.28
53 RRFIIRRTR 0.28
54 RFFIVRLIR 0.28
55 RRFRIRLIR 0.28
56 RFWIVRRIR 0.28
57 RRWRIRRIR 0.28
58 RFYIKRRIR 0.29
59 RRWIIRRTR 0.29
60 RFWIVRLIR 0.29
61 RRWRIRLIR 0.29
62 RRFIIRLTR 0.29
63 RIWIIRKIR 0.3
64 RIFIIRRIR 0.3
65 RFYIKRLIR 0.3
66 RRWIIRLTR 0.3
67 RIFIIRLIR 0.31
68 RIWIIRRIR 0.31
69 RIWIIRLIR 0.32
70 RRYRIRKIR 0.33
71 RFYIVRKIR 0.33
72 RFFRIRKIR 0.34
73 RRYIIRKTR 0.34
74 RRFRKRKIR 0.35
75 RFFRIRRIR 0.35
76 RRYRIRRIR 0.35
77 RFWRIRKIR 0.35
78 RFYIVRRIR 0.35
79 RFFIIRKTR 0.35
80 RRYIIRRTR 0.36
81 RRYRIRLIR 0.36
82 RFYIVRLIR 0.36
83 RFWIIRKTR 0.36
84 RFWRIRRIR 0.36
85 RFFIIRRTR 0.36
86 RFFRIRLIR 0.36
87 RRFRKRRIR 0.37
88 RIYIIRKIR 0.37
89 RFFIIRLTR 0.37
90 RRYIIRLTR 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFWIIRKIR

4.22

-13.21

-8.99
2 RFFIIRLIR

3.51

-12.4

-8.89
3 RFWIIRLIR

4.47

-13.32

-8.85
4 RRYIIRLIR

3.65

-12.46

-8.81
5 RFWIKRKIR

3.54

-12.33

-8.79
6 RFYIIRRIR

3.41

-12.14

-8.73
7 RRFIKRRIR

3.6

-12.19

-8.59
8 RRFIIRRIR

3.47

-11.92

-8.45
9 RRFIKRKIR

2.78

-10.73

-7.95
10 RRYIIRRIR

4.08

-11.99

-7.91
11 RRWIKRRIR

3.88

-11.59

-7.71
12 RRFIKRLIR

3.86

-11.53

-7.67
13 RFFIIRKIR

3.94

-11.49

-7.55
14 RRWIKRLIR

4.19

-11.71

-7.52
15 RRWIIRKIR

4.55

-12.03

-7.48
16 RFYIIRKIR

4.53

-12.01

-7.48
17 RRWIIRLIR

4.69

-12.02

-7.33
18 RFFIKRKIR

3.49

-10.76

-7.27
19 RRFIVRKIR

4.43

-11.62

-7.19
20 RFFIIRRIR

3.38

-10.32

-6.94
21 RRFIIRLIR

3.74

-10.64

-6.9
22 RRFIVRLIR

3.56

-10.4

-6.84
23 RRWIIRRIR

5.11

-11.76

-6.65
24 RFWIIRRIR

3.37

-10.0

-6.63
25 RRYIIRKIR

3.64

-10.25

-6.61
26 RRWIKRKIR

3.79

-10.35

-6.56
27 RRFIIRKIR

5.13

-11.69

-6.56
28 RRFIVRRIR

4.42

-10.81

-6.39
29 RRWIVRKIR

4.51

-10.53

-6.02
30 RRYIKRKIR

3.72

-9.7

-5.98

 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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