Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-8.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 0.214 ΔGbinding -1.306
TOTAL
 -1.092
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.811
Van der Waals -3.797 Backbone clash 0.088
Electrostatics -0.045 Helix dipole 0.000
Solvation Polar 4.289 Water bridges 0.000
Solvation Hyd -5.304 Disulfide 0.000
VdW clashes 0.937 Electrost. Kon -0.101
Entropy sc 0.514 Part.cov.bonds 0.000
Entropy mc

2.666

 ΔGstability

13.377
       

Predicted ligand sequences for model [NBP2_1YN8-8.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_1YN8-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 HWRPRWPR 0.0
2 RWRPRWPR 0.04
3 HWRPRPPR 0.07
4 KWRPRWPR 0.08
5 HWRRRWPR 0.09
6 HWRPRLPR 0.1
7 RWRPRPPR 0.11
8 HWRPRWHR 0.12
9 RWRRRWPR 0.13
10 RWRPRLPR 0.14
11 HWRNRWPR 0.15
12 KWRPRPPR 0.16
13 RWRPRWHR 0.16
14 HWRRRPPR 0.17
15 KWRRRWPR 0.18
16 KWRPRLPR 0.18
17 RWRNRWPR 0.19
18 HWRPRPHR 0.19
19 HWRRRLPR 0.19
20 KWRPRWHR 0.2
21 RWRRRPPR 0.21
22 HWRRRWHR 0.21
23 HWRNRPPR 0.22
24 HWRPRLHR 0.22
25 RWRRRLPR 0.23
26 KWRNRWPR 0.23
27 RWRPRPHR 0.23
28 HWRPRWGR 0.24
29 KWRRRPPR 0.25
30 HWRNRLPR 0.25
31 RWRRRWHR 0.25
32 RWRPRLHR 0.26
33 RWRNRPPR 0.26
34 KWRPRPHR 0.27
35 HWRNRWHR 0.27
36 KWRRRLPR 0.28
37 HWRRRPHR 0.28
38 RWRPRWGR 0.28
39 KWRRRWHR 0.29
40 RWRNRLPR 0.29
41 HWRPRWPM 0.29
42 KWRPRLHR 0.3
43 KWRNRPPR 0.3
44 RWRNRWHR 0.31
45 HWRRRLHR 0.31
46 HWRPRPGR 0.31
47 RWRRRPHR 0.32
48 KWRNRLPR 0.33
49 RWRPRWPM 0.33
50 HWRRRWGR 0.33
51 KWRPRWGR 0.33
52 HWRPRLGR 0.34
53 HWRNRPHR 0.34
54 RWRPRPGR 0.35
55 KWRNRWHR 0.35
56 RWRRRLHR 0.35
57 HWRNRLHR 0.36
58 HWRPRPPM 0.37
59 KWRRRPHR 0.37
60 RWRPRLGR 0.38
61 RWRNRPHR 0.38
62 KWRPRWPM 0.38
63 RWRRRWGR 0.38
64 KWRRRLHR 0.39
65 HWRNRWGR 0.39
66 HWRPRLPM 0.39
67 HWRRRWPM 0.39
68 RWRNRLHR 0.4
69 KWRPRPGR 0.4
70 HWRRRPGR 0.41
71 HWRPRWHM 0.41
72 RWRPRPPM 0.41
73 KWRPRLGR 0.42
74 KWRRRWGR 0.42
75 KWRNRPHR 0.42
76 HWRRRLGR 0.43
77 RWRPRLPM 0.43
78 RWRRRWPM 0.43
79 RWRNRWGR 0.43
80 HWRNRWPM 0.44
81 KWRNRLHR 0.45
82 KWRPRPPM 0.45
83 RWRPRWHM 0.45
84 RWRRRPGR 0.45
85 HWRRRPPM 0.46
86 HWRNRPGR 0.46
87 KWRRRWPM 0.47
88 KWRNRWGR 0.47
89 RWRRRLGR 0.47
90 RWRNRWPM 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HWRRRPPR

3.97

-7.75

-3.78
2 RWRPRLPR

4.01

-7.75

-3.74
3 RWRRRPPR

3.94

-7.54

-3.6
4 RWRPRPPR

3.97

-7.53

-3.56
5 RWRRRWPR

4.56

-8.12

-3.56
6 RWRPRPHR

3.72

-7.26

-3.54
7 HWRNRPPR

3.6

-7.0

-3.4
8 KWRPRPPR

3.64

-6.95

-3.31
9 KWRRRPPR

3.8

-7.06

-3.26
10 HWRPRLHR

4.07

-7.25

-3.18
11 RWRRRLPR

4.2

-7.12

-2.92
12 HWRPRPPR

3.75

-6.66

-2.91
13 HWRRRWHR

4.12

-6.99

-2.87
14 HWRPRLPR

3.98

-6.69

-2.71
15 KWRPRLPR

4.06

-6.62

-2.56
16 HWRPRPHR

3.94

-6.34

-2.4
17 KWRRRWPR

3.89

-5.94

-2.05
18 HWRNRLPR

4.36

-6.39

-2.03
19 HWRRRLPR

4.44

-6.42

-1.98
20 KWRPRWPR

4.3

-6.15

-1.85
21 RWRPRWPR

5.61

-7.39

-1.78
22 KWRNRWPR

3.85

-5.61

-1.76
23 KWRPRWHR

4.08

-5.79

-1.71
24 RWRNRWPR

4.15

-5.75

-1.6
25 HWRPRWPR

3.93

-5.5

-1.57
26 RWRPRWHR

4.89

-6.43

-1.54
27 HWRNRWPR

4.16

-5.6

-1.44
28 HWRPRWGR

4.35

-5.57

-1.22
29 HWRRRWPR

4.62

-5.78

-1.16
30 HWRPRWHR

5.05

-4.18

0.87

 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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