Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-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    

(Help)

Intraclash 1.561 ΔGbinding -1.519
TOTAL
 0.042
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.290
Van der Waals -3.634 Backbone clash 0.179
Electrostatics 0.056 Helix dipole 0.000
Solvation Polar 4.302 Water bridges 0.000
Solvation Hyd -5.513 Disulfide 0.000
VdW clashes 0.024 Electrost. Kon -0.010
Entropy sc 0.646 Part.cov.bonds 0.000
Entropy mc

3.596

 ΔGstability

38.653
       

Predicted ligand sequences for model [NBP2_1GCQ-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_1GCQ-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRRHRDR 0.0
2 RRWRIHRDR 0.01
3 RRWRRHKDR 0.01
4 RRWRIHKDR 0.02
5 RRFRRHRDR 0.03
6 RRHRRHRDR 0.04
7 RRFRRHKDR 0.04
8 RRFRIHRDR 0.04
9 RRHRIHRDR 0.05
10 RRFRIHKDR 0.05
11 RRHRRHKDR 0.05
12 RRHRIHKDR 0.06
13 RRWRRHLDR 0.07
14 RRWRKHRDR 0.07
15 RRWRIHLDR 0.08
16 RRWRKHKDR 0.08
17 RRFRKHRDR 0.1
18 RRFRRHLDR 0.1
19 RRFRKHKDR 0.11
20 RRHRKHRDR 0.11
21 RRFRIHLDR 0.11
22 RRHRRHLDR 0.11
23 RRHRKHKDR 0.12
24 RRHRIHLDR 0.12
25 RRWRKHLDR 0.14
26 RRFRKHLDR 0.17
27 RRHRKHLDR 0.18
28 RRWRRHRKR 0.19
29 RRWRIHRKR 0.2
30 RRWRRHKKR 0.2
31 RRWRIHKKR 0.21
32 RHWRRHRDR 0.21
33 RHWRIHRDR 0.21
34 RRFRRHRKR 0.22
35 RHWRRHKDR 0.22
36 RRFRIHRKR 0.23
37 RRFRRHKKR 0.23
38 RHWRIHKDR 0.23
39 RRHRRHRKR 0.23
40 RRHRIHRKR 0.24
41 RHFRRHRDR 0.24
42 RRHRRHKKR 0.24
43 RRFRIHKKR 0.24
44 RHFRRHKDR 0.25
45 RRWRKHRKR 0.25
46 RHFRIHRDR 0.25
47 RHHRRHRDR 0.25
48 RRHRIHKKR 0.25
49 RHFRIHKDR 0.26
50 RRWRKHKKR 0.26
51 RRWRRHLKR 0.26
52 RHHRIHRDR 0.26
53 RHHRRHKDR 0.26
54 RRWRIHLKR 0.27
55 RHHRIHKDR 0.27
56 RHWRKHRDR 0.27
57 RHWRKHKDR 0.28
58 RHWRRHLDR 0.28
59 RRFRKHRKR 0.28
60 RRHRKHRKR 0.29
61 RRFRRHLKR 0.29
62 RRFRKHKKR 0.29
63 RHWRIHLDR 0.29
64 RRFRIHLKR 0.3
65 RRHRKHKKR 0.3
66 RHFRKHRDR 0.3
67 RRHRRHLKR 0.3
68 RRHRIHLKR 0.31
69 RHHRKHRDR 0.31
70 RHFRKHKDR 0.31
71 RHFRRHLDR 0.31
72 RHFRIHLDR 0.32
73 RHHRRHLDR 0.32
74 RRWRKHLKR 0.32
75 RHHRKHKDR 0.33
76 RHHRIHLDR 0.33
77 RHWRKHLDR 0.34
78 RRFRKHLKR 0.35
79 RRWRRHRIR 0.36
80 RRWRRHKIR 0.37
81 RRHRKHLKR 0.37
82 RRWRIHRIR 0.37
83 RHFRKHLDR 0.38
84 RRWRIHKIR 0.38
85 RHHRKHLDR 0.39
86 RRFRRHRIR 0.39
87 RHWRRHRKR 0.39
88 RRHRRHRIR 0.4
89 RHWRIHRKR 0.4
90 RRFRIHRIR 0.4
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFRRHLDR

3.86

-20.13

-16.27
2 RRHRRHLDR

2.44

-18.25

-15.81
3 RRHRRHKDR

3.81

-19.53

-15.72
4 RRHRKHKDR

3.18

-18.87

-15.69
5 RRWRIHKDR

4.58

-20.05

-15.47
6 RRWRKHKDR

2.56

-17.95

-15.39
7 RRWRIHRKR

3.03

-18.3

-15.27
8 RRFRIHLDR

3.15

-18.21

-15.06
9 RRWRRHKDR

2.28

-17.32

-15.04
10 RRHRIHRDR

3.11

-18.12

-15.01
11 RRFRKHKDR

2.58

-17.56

-14.98
12 RRHRRHRDR

3.55

-18.26

-14.71
13 RRFRKHLDR

2.46

-17.12

-14.66
14 RRWRKHLDR

3.36

-17.94

-14.58
15 RRWRKHRDR

2.5

-17.0

-14.5
16 RRWRRHKKR

3.35

-17.83

-14.48
17 RRFRRHRDR

2.33

-16.73

-14.4
18 RRWRIHRDR

3.18

-17.49

-14.31
19 RRHRKHRDR

3.4

-17.67

-14.27
20 RRWRRHRKR

2.37

-16.6

-14.23
21 RRFRIHRDR

2.9

-16.9

-14.0
22 RRHRIHLDR

2.07

-16.02

-13.95
23 RRFRKHRDR

2.29

-16.06

-13.77
24 RRWRRHLDR

3.63

-17.39

-13.76
25 RRHRIHKDR

2.18

-15.54

-13.36
26 RRWRRHRDR

3.18

-16.23

-13.05
27 RRFRRHKDR

2.35

-15.37

-13.02
28 RRWRIHLDR

2.89

-15.79

-12.9
29 RRHRKHLDR

2.37

-15.26

-12.89
30 RRFRIHKDR

3.07

-15.89

-12.82

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER