Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-7.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
G
 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 0.293 ΔGbinding -0.927
TOTAL
 -0.634
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.239
Van der Waals -3.129 Backbone clash 0.204
Electrostatics -0.085 Helix dipole 0.000
Solvation Polar 4.284 Water bridges -0.000
Solvation Hyd -4.241 Disulfide 0.000
VdW clashes 0.513 Electrost. Kon -0.156
Entropy sc 0.450 Part.cov.bonds 0.000
Entropy mc

2.471

 ΔGstability

16.697
       

Predicted ligand sequences for model [NBP2_1YN8-7.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_1YN8-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 YFRRWYMW 0.0
2 YMRRWYMW 0.08
3 YFRRWYWW 0.09
4 YFRRWYRW 0.1
5 YFRIWYMW 0.14
6 YFRRPYMW 0.14
7 YFRRFYMW 0.15
8 YMRRWYWW 0.18
9 YMRRWYRW 0.19
10 YFPRWYMW 0.2
11 YMRRPYMW 0.22
12 YFRRWPMW 0.23
13 YMRIWYMW 0.23
14 YFRRPYWW 0.23
15 YMRRFYMW 0.23
16 YFHRWYMW 0.24
17 YFRRPYRW 0.24
18 YFRRFYWW 0.24
19 YFRIWYWW 0.24
20 YFRRFYRW 0.25
21 YFRIWYRW 0.25
22 YFRKWYMW 0.27
23 YFRIPYMW 0.28
24 YMPRWYMW 0.28
25 YFPRWYWW 0.29
26 YFRIFYMW 0.29
27 YFPRWYRW 0.3
28 YMRRFYWW 0.32
29 YMRRWPMW 0.32
30 YMRIWYWW 0.32
31 YMRRPYWW 0.32
32 YMRRPYRW 0.33
33 YMRIWYRW 0.33
34 YFRRWPWW 0.33
35 YMHRWYMW 0.33
36 YMRRFYRW 0.33
37 YFPIWYMW 0.34
38 YFHRWYWW 0.34
39 YFPRFYMW 0.34
40 YFRRWPRW 0.34
41 YFPRPYMW 0.34
42 YFHRWYRW 0.35
43 YMRKWYMW 0.35
44 YFRKWYWW 0.36
45 YMRIFYMW 0.37
46 YFRKWYRW 0.37
47 YFRRPPMW 0.37
48 YMRIPYMW 0.37
49 YFHRPYMW 0.38
50 YFRIPYWW 0.38
51 YFRRFPMW 0.38
52 YFRIWPMW 0.38
53 YMPRWYRW 0.38
54 YMPRWYWW 0.38
55 YFRRWYMR 0.39
56 YFHRFYMW 0.39
57 YFRIPYRW 0.39
58 YFRIFYWW 0.39
59 YFHIWYMW 0.39
60 YFRIFYRW 0.39
61 YMRRWPWW 0.41
62 YFRKPYMW 0.41
63 YFRKFYMW 0.42
64 YMHRWYWW 0.42
65 YMRRWPRW 0.42
66 YMPRPYMW 0.42
67 YMPRFYMW 0.43
68 YFRRWVMW 0.43
69 YFPRPYWW 0.43
70 YFPRWPMW 0.43
71 YMHRWYRW 0.43
72 YMPIWYMW 0.43
73 YFPRPYRW 0.44
74 YFPRFYWW 0.44
75 YFPIWYRW 0.44
76 YFPIWYWW 0.44
77 YMRKWYWW 0.45
78 YFPRFYRW 0.45
79 YMRRPPMW 0.46
80 YMRIPYWW 0.46
81 YMRIWPMW 0.46
82 YMRKWYRW 0.46
83 YMRRFPMW 0.46
84 YMHRFYMW 0.47
85 YMRIFYWW 0.47
86 YFPKWYMW 0.47
87 YMHIWYMW 0.47
88 YFRIWPWW 0.47
89 YFRRFPWW 0.47
90 YMRIPYRW 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YFRRPYMW

2.9

-10.21

-7.31
2 YMRRPYMW

3.17

-10.42

-7.25
3 YFRRFYRW

3.47

-10.65

-7.18
4 YFRKWYMW

2.88

-8.02

-5.14
5 YMPRWYMW

2.98

-8.09

-5.11
6 YFRRFYMW

3.44

-8.48

-5.04
7 YMRRWYRW

3.7

-8.71

-5.01
8 YFPRWYMW

3.81

-8.49

-4.68
9 YFRRWYMW

3.5

-7.95

-4.45
10 YMRRFYMW

3.85

-8.13

-4.28
11 YMRRWPMW

4.19

-8.44

-4.25
12 YFRRPYRW

2.87

-7.01

-4.14
13 YMRRWYMW

4.33

-8.39

-4.06
14 YFRRWYRW

5.16

-8.89

-3.73
15 YFHRWYMW

3.26

-6.99

-3.73
16 YMRRWYWW

3.67

-7.25

-3.58
17 YFRIPYMW

3.08

-6.53

-3.45
18 YFRRPYWW

3.79

-7.2

-3.41
19 YFPRWYWW

3.64

-7.03

-3.39
20 YMRIWYMW

4.12

-7.45

-3.33
21 YFRRWYWW

4.32

-7.47

-3.15
22 YFRIFYMW

3.05

-5.96

-2.91
23 YFRIWYMW

3.28

-6.07

-2.79
24 YFPRWYRW

3.65

-6.3

-2.65
25 YMRRFYWW

3.07

-5.4

-2.33
26 YFRIWYRW

3.88

-6.05

-2.17
27 YFRRWPMW

3.07

-4.71

-1.64
28 YMRIWYWW

3.98

-5.07

-1.09
29 YFRRFYWW

3.1

-3.88

-0.78
30 YFRIWYWW

3.8

-4.53

-0.73

 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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