Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-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    

(Help)

Intraclash 3.761 ΔGbinding 1.247
TOTAL
 5.008
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.953
Van der Waals -4.215 Backbone clash 1.394
Electrostatics 0.028 Helix dipole 0.000
Solvation Polar 3.939 Water bridges -0.000
Solvation Hyd -6.348 Disulfide 0.000
VdW clashes 3.823 Electrost. Kon -0.078
Entropy sc 0.309 Part.cov.bonds 0.000
Entropy mc

2.836

 ΔGstability

42.496
       

Predicted ligand sequences for model [NBP2_1GCQ-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_1GCQ-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FHRLKSIRHW 0.0
2 FHRLPSIRHW 0.07
3 FHRLRSIRHW 0.08
4 FHPLKSIRHW 0.1
5 FHKLKSIRHW 0.1
6 FHRMKSIRHW 0.13
7 FHRLKSKRHW 0.15
8 FHPLPSIRHW 0.17
9 RHRLKSIRHW 0.17
10 FHKLPSIRHW 0.17
11 FHKLRSIRHW 0.18
12 FHPLRSIRHW 0.18
13 FHRMPSIRHW 0.2
14 FHRLPSKRHW 0.22
15 FHRMRSIRHW 0.22
16 FHRLRSKRHW 0.23
17 FHKMKSIRHW 0.23
18 FHPMKSIRHW 0.23
19 FHKLKSKRHW 0.25
20 RHRLPSIRHW 0.25
21 FHPLKSKRHW 0.25
22 RHRLRSIRHW 0.26
23 FHRIKSIRHW 0.26
24 RHPLKSIRHW 0.27
25 RHKLKSIRHW 0.27
26 FHRMKSKRHW 0.28
27 FHRLKRIRHW 0.3
28 FHKMPSIRHW 0.3
29 FHPMPSIRHW 0.3
30 FHKMRSIRHW 0.31
31 FHPMRSIRHW 0.31
32 RHRMKSIRHW 0.31
33 RHRLKSKRHW 0.32
34 FHPLPSKRHW 0.32
35 FHKLPSKRHW 0.32
36 FHRIPSIRHW 0.33
37 FHPLRSKRHW 0.33
38 FHKLRSKRHW 0.33
39 RHKLPSIRHW 0.34
40 RHPLPSIRHW 0.34
41 FHRIRSIRHW 0.34
42 FHRMPSKRHW 0.35
43 FHPIKSIRHW 0.35
44 FHRLKGIRHW 0.35
45 FHKIKSIRHW 0.35
46 RHKLRSIRHW 0.36
47 FHRMRSKRHW 0.36
48 RHPLRSIRHW 0.36
49 FHRLPRIRHW 0.38
50 FHKMKSKRHW 0.38
51 FHRLKSIRHF 0.38
52 FHPMKSKRHW 0.38
53 RHRMPSIRHW 0.38
54 FHRLRRIRHW 0.39
55 RHRMRSIRHW 0.39
56 RHPMKSIRHW 0.4
57 RHKMKSIRHW 0.4
58 FHPLKRIRHW 0.4
59 FHKLKRIRHW 0.4
60 RHRLPSKRHW 0.4
61 RHRLRSKRHW 0.41
62 FHRIKSKRHW 0.41
63 WHRLKSIRHW 0.41
64 FHRLPGIRHW 0.42
65 RHPLKSKRHW 0.42
66 RHKLKSKRHW 0.42
67 FHKIPSIRHW 0.42
68 FHPIPSIRHW 0.43
69 RHRIKSIRHW 0.43
70 FHRLRGIRHW 0.43
71 FHKIRSIRHW 0.44
72 FHPIRSIRHW 0.44
73 FHRMKRIRHW 0.44
74 FHPLKGIRHW 0.44
75 FHKLKGIRHW 0.44
76 FWRLKSIRHW 0.44
77 FHKMPSKRHW 0.45
78 FHRLPSIRHF 0.45
79 FHRLKRKRHW 0.45
80 FHPMPSKRHW 0.45
81 FHPMRSKRHW 0.46
82 RHRMKSKRHW 0.46
83 FHKMRSKRHW 0.46
84 FHKLPRIRHW 0.47
85 FHPLPRIRHW 0.47
86 RHKMPSIRHW 0.47
87 FHRLRSIRHF 0.47
88 FHRIPSKRHW 0.48
89 FHRMKGIRHW 0.48
90 FHPLKSIRHF 0.48
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FHRLKSKRHW

6.23

-9.16

-2.93
2 FHPMKSIRHW

3.31

-5.84

-2.53
3 FHKLKSIRHW

3.73

-5.74

-2.01
4 FHRLKSIRHW

4.13

-5.4

-1.27
5 FHPLKSIRHW

5.21

-6.27

-1.06
6 FHKLKSKRHW

3.45

-4.5

-1.05
7 FHRMRSIRHW

5.18

-5.86

-0.68
8 FHKLRSIRHW

5.34

-5.77

-0.43
9 FHRLKRIRHW

4.74

-4.98

-0.24
10 FHRIKSIRHW

3.62

-3.74

-0.12
11 FHRMKSKRHW

4.71

-4.77

-0.06
12 FHRLPSKRHW

5.36

-5.18

0.18
13 FHPLKSKRHW

4.25

-4.01

0.24
14 FHRLRSIRHW

4.85

-4.48

0.37
15 FHKMRSIRHW

5.38

-4.22

1.16
16 FHRMPSIRHW

6.99

-5.79

1.2
17 RHKLKSIRHW

5.19

-3.74

1.45
18 RHRLPSIRHW

6.39

-4.62

1.77
19 FHRLPSIRHW

5.81

-3.51

2.3
20 FHRMKSIRHW

5.35

-3.0

2.35
21 FHRLRSKRHW

5.04

-2.12

2.92
22 FHPLPSIRHW

7.07

-4.07

3.0
23 RHRLRSIRHW

4.51

-1.34

3.17
24 FHPMPSIRHW

5.32

-2.13

3.19
25 RHPLKSIRHW

5.5

-2.21

3.29
26 FHKMKSIRHW

7.84

-4.5

3.34
27 FHPLRSIRHW

5.56

-2.04

3.52
28 FHKLPSIRHW

5.39

-1.87

3.52
29 RHRLKSIRHW

8.17

-4.37

3.8
30 FHKMPSIRHW

4.89

-0.98

3.91

 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