Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-20.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 3.213 ΔGbinding -3.287
TOTAL
 -0.074
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.572
Van der Waals -4.224 Backbone clash 0.100
Electrostatics 0.139 Helix dipole 0.000
Solvation Polar 3.890 Water bridges 0.010
Solvation Hyd -6.528 Disulfide 0.000
VdW clashes 0.951 Electrost. Kon 0.021
Entropy sc 0.574 Part.cov.bonds 0.000
Entropy mc

2.583

 ΔGstability

35.275
       

Predicted ligand sequences for model [NBP2_1GCQ-20.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_1GCQ-20.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPFPGRHW 0.0
2 RRPFNGRHW 0.01
3 RRRFPGRHW 0.07
4 RRRFNGRHW 0.08
5 RRPFWGRHW 0.09
6 RRWFPGRHW 0.11
7 RRWFNGRHW 0.12
8 RRPFPGRWW 0.15
9 RRRFWGRHW 0.16
10 RRPFNGRWW 0.16
11 YRPFPGRHW 0.17
12 YRPFNGRHW 0.18
13 RRWFWGRHW 0.2
14 RRPFPGRHF 0.21
15 RRRFPGRWW 0.22
16 RRPFNGRHF 0.22
17 RRRFNGRWW 0.23
18 RRPFWGRWW 0.24
19 YRRFPGRHW 0.24
20 YRPFWGRHW 0.26
21 YRRFNGRHW 0.26
22 RRWFPGRWW 0.26
23 RRWFNGRWW 0.27
24 YRWFPGRHW 0.28
25 RRRFPGRHF 0.28
26 RRRFNGRHF 0.29
27 YRWFNGRHW 0.29
28 RRPFWGRHF 0.3
29 RRPRPGRHW 0.3
30 RRRFWGRWW 0.31
31 YRPFPGRWW 0.32
32 RRPFPGMHW 0.32
33 RRWFPGRHF 0.32
34 RRPRNGRHW 0.32
35 RRPFNGMHW 0.33
36 FRPFPGRHW 0.33
37 YRRFWGRHW 0.33
38 RRWFNGRHF 0.33
39 YRPFNGRWW 0.34
40 FRPFNGRHW 0.34
41 RRWFWGRWW 0.35
42 RRPFPGHHW 0.35
43 RRPFNGHHW 0.36
44 RRPFPGRWF 0.36
45 RRRRPGRHW 0.37
46 RRRFWGRHF 0.37
47 YRWFWGRHW 0.37
48 RRPFPGRHM 0.37
49 RRPFNGRWF 0.38
50 YRPFPGRHF 0.38
51 RRRFPGMHW 0.39
52 RRRRNGRHW 0.39
53 RRPRWGRHW 0.39
54 RRPFNGRHM 0.39
55 YRRFPGRWW 0.4
56 RRRFNGMHW 0.4
57 YRPFNGRHF 0.4
58 FRRFPGRHW 0.4
59 YRRFNGRWW 0.41
60 RRWRPGRHW 0.41
61 FRRFNGRHW 0.41
62 RRPFWGMHW 0.41
63 RRWFWGRHF 0.41
64 RRWFPGMHW 0.42
65 FRPFWGRHW 0.42
66 RRWRNGRHW 0.42
67 RRRFPGHHW 0.42
68 YRPFWGRWW 0.42
69 FRWFPGRHW 0.43
70 RRRFPGRWF 0.43
71 YRWFPGRWW 0.43
72 RRRFNGHHW 0.43
73 RRWFNGMHW 0.43
74 RRRFNGRWF 0.44
75 RRPFWGHHW 0.44
76 RRRFPGRHM 0.44
77 YRWFNGRWW 0.44
78 FRWFNGRHW 0.44
79 RRPFWGRWF 0.45
80 RRPRPGRWW 0.45
81 RRWFPGHHW 0.45
82 YRRFPGRHF 0.45
83 RRWFNGHHW 0.46
84 RRPFWGRHM 0.46
85 RRRFNGRHM 0.46
86 RRRRWGRHW 0.46
87 RRPFPGRCW 0.46
88 RRPFPGMWW 0.47
89 RRPFNGRCW 0.47
90 YRPFWGRHF 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRFNGRHF

2.43

-12.69

-10.26
2 RRRFWGRHW

2.43

-11.58

-9.15
3 RRPFWGRHF

1.96

-11.08

-9.12
4 RRPRPGRHW

2.15

-10.86

-8.71
5 RRWFNGRHW

2.42

-11.12

-8.7
6 RRRFPGRHF

2.75

-11.41

-8.66
7 RRRFPGRHW

2.38

-10.66

-8.28
8 RRPFPGRHW

2.47

-10.68

-8.21
9 RRRFNGRHW

2.64

-10.84

-8.2
10 RRPFNGRHF

3.54

-11.64

-8.1
11 RRRFPGRWW

2.31

-10.18

-7.87
12 RRWFWGRHW

2.91

-10.45

-7.54
13 RRPFWGRWW

3.02

-10.34

-7.32
14 YRWFPGRHW

2.35

-9.52

-7.17
15 RRRFWGRWW

3.4

-10.51

-7.11
16 RRPFWGRHW

2.48

-9.57

-7.09
17 YRPFPGRHW

3.41

-10.26

-6.85
18 RRPFNGRHW

2.92

-9.75

-6.83
19 RRPFNGRWW

2.88

-9.62

-6.74
20 RRWFNGRWW

2.67

-9.13

-6.46
21 YRPFWGRHW

2.64

-9.09

-6.45
22 RRRFNGRWW

2.84

-9.25

-6.41
23 YRRFPGRHW

2.97

-9.29

-6.32
24 RRWFPGRHW

3.12

-9.17

-6.05
25 RRWFPGRWW

3.86

-9.85

-5.99
26 RRPFPGRHF

3.29

-8.98

-5.69
27 YRWFNGRHW

2.77

-8.45

-5.68
28 YRRFNGRHW

4.72

-8.7

-3.98
29 YRPFNGRHW

5.45

-8.76

-3.31
30 RRPFPGRWW

6.19

-6.49

-0.3

 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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