Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-18.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
G
 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 2.340 ΔGbinding 2.562
TOTAL
 4.902
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.825
Van der Waals -3.632 Backbone clash 1.249
Electrostatics -0.052 Helix dipole 0.000
Solvation Polar 3.315 Water bridges -0.002
Solvation Hyd -5.640 Disulfide 0.000
VdW clashes 4.540 Electrost. Kon -0.155
Entropy sc 0.367 Part.cov.bonds 0.000
Entropy mc

2.996

 ΔGstability

31.323
       

Predicted ligand sequences for model [NBP2_1SEM-18.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-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPIPSIFFR 0.0
2 RPPIPSHFFR 0.01
3 RFPIPSHFFR 0.01
4 RFPIPSIFFR 0.01
5 RPPIKSIFFR 0.04
6 RFPIKSIFFR 0.05
7 RPPIKSHFFR 0.05
8 RFPIKSHFFR 0.06
9 RPPIRSIFFR 0.07
10 RPPIRSHFFR 0.07
11 RFPIRSHFFR 0.08
12 RFPIRSIFFR 0.08
13 RPRIPSIFFR 0.1
14 RPRIPSHFFR 0.1
15 RFRIPSIFFR 0.1
16 RFRIPSHFFR 0.11
17 RFRIKSIFFR 0.14
18 RPKIPSIFFR 0.14
19 RPRIKSHFFR 0.14
20 RPRIKSIFFR 0.14
21 RFKIPSHFFR 0.15
22 RFKIPSIFFR 0.15
23 RFRIKSHFFR 0.15
24 RPKIPSHFFR 0.15
25 RPRIRSIFFR 0.16
26 RPPIPSMFFR 0.17
27 RFRIRSIFFR 0.17
28 RPRIRSHFFR 0.17
29 RFRIRSHFFR 0.18
30 RPKIKSIFFR 0.18
31 RFPIPSMFFR 0.18
32 RFKIKSIFFR 0.19
33 RPKIKSHFFR 0.19
34 RFKIKSHFFR 0.2
35 RPKIRSIFFR 0.21
36 RPKIRSHFFR 0.21
37 RFKIRSHFFR 0.22
38 RPPIKSMFFR 0.22
39 RFKIRSIFFR 0.22
40 RFPIKSMFFR 0.22
41 RPPIRSMFFR 0.24
42 RFPIRSMFFR 0.25
43 RPRIPSMFFR 0.27
44 RRPIPSIFFR 0.28
45 RFRIPSMFFR 0.28
46 RRPIPSHFFR 0.29
47 RPRIKSMFFR 0.31
48 RPKIPSMFFR 0.32
49 RFRIKSMFFR 0.32
50 RFKIPSMFFR 0.32
51 RRPIKSHFFR 0.33
52 RRPIKSIFFR 0.33
53 RFRIRSMFFR 0.34
54 RPRIRSMFFR 0.34
55 RRPIRSIFFR 0.35
56 RRPIRSHFFR 0.36
57 RPKIKSMFFR 0.36
58 RFKIKSMFFR 0.36
59 RPPIPGIFFR 0.37
60 RPPIPGHFFR 0.37
61 RPKIRSMFFR 0.38
62 RFPIPGIFFR 0.38
63 RRRIPSIFFR 0.38
64 RFPIPGHFFR 0.38
65 RRRIPSHFFR 0.39
66 RFKIRSMFFR 0.39
67 RPPIKGIFFR 0.41
68 RPPIKGHFFR 0.42
69 RRKIPSIFFR 0.42
70 RFPIKGHFFR 0.42
71 RFPIKGIFFR 0.42
72 RRRIKSIFFR 0.42
73 RRRIKSHFFR 0.43
74 RRKIPSHFFR 0.43
75 RPPIRGHFFR 0.44
76 RFPIRGIFFR 0.44
77 RPPIRGIFFR 0.44
78 RFPIRGHFFR 0.45
79 RRRIRSHFFR 0.45
80 RRRIRSIFFR 0.45
81 RPRIPGIFFR 0.46
82 RRPIPSMFFR 0.46
83 RRKIKSIFFR 0.47
84 RFRIPGIFFR 0.47
85 RPRIPGHFFR 0.47
86 RRKIKSHFFR 0.47
87 RFRIPGHFFR 0.48
88 RRKIRSIFFR 0.49
89 RPPIPSIIFR 0.5
90 RRKIRSHFFR 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPKIKSIFFR

3.83

-7.78

-3.95
2 RPPIRSIFFR

3.07

-6.93

-3.86
3 RPRIRSIFFR

3.9

-7.47

-3.57
4 RPPIKSHFFR

3.7

-6.84

-3.14
5 RPRIPSHFFR

4.45

-7.58

-3.13
6 RPPIPSMFFR

3.95

-7.08

-3.13
7 RPPIKSIFFR

3.62

-6.4

-2.78
8 RPPIRSHFFR

3.84

-6.62

-2.78
9 RFPIPSIFFR

4.12

-6.89

-2.77
10 RFPIKSIFFR

4.48

-7.17

-2.69
11 RPKIPSHFFR

4.33

-7.0

-2.67
12 RFRIRSIFFR

3.74

-6.38

-2.64
13 RPRIKSHFFR

3.92

-6.55

-2.63
14 RPRIRSHFFR

4.45

-7.07

-2.62
15 RFRIKSHFFR

4.29

-6.68

-2.39
16 RFPIPSHFFR

4.07

-6.4

-2.33
17 RFRIRSHFFR

4.42

-6.73

-2.31
18 RPPIPSHFFR

4.0

-6.18

-2.18
19 RPRIPSIFFR

4.06

-6.21

-2.15
20 RPKIPSIFFR

4.07

-6.09

-2.02
21 RPPIPSIFFR

3.81

-5.72

-1.91
22 RFRIPSHFFR

4.95

-6.74

-1.79
23 RFRIKSIFFR

4.44

-6.15

-1.71
24 RFPIKSHFFR

4.8

-6.41

-1.61
25 RFKIPSIFFR

4.54

-5.87

-1.33
26 RPRIKSIFFR

6.16

-7.41

-1.25
27 RFPIRSIFFR

4.01

-5.1

-1.09
28 RFPIRSHFFR

4.67

-5.69

-1.02
29 RFRIPSIFFR

4.46

-5.29

-0.83
30 RFKIPSHFFR

4.64

-4.58

0.06

 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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