Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-29.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
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 2.216 ΔGbinding -1.689
TOTAL
 0.527
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.216
Van der Waals -2.310 Backbone clash -0.000
Electrostatics 0.020 Helix dipole 0.000
Solvation Polar 1.930 Water bridges 0.000
Solvation Hyd -3.547 Disulfide 0.000
VdW clashes 0.090 Electrost. Kon 0.075
Entropy sc 0.100 Part.cov.bonds 0.000
Entropy mc

1.738

 ΔGstability

23.556
       

Predicted ligand sequences for model [BUD14_1GCQ-29.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).
 
  BUD14_1GCQ-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRMWFFNRK 0.0
2 ERRMWFFNRK 0.03
3 KRRMWFFNRK 0.04
4 RRRPWFFNRK 0.04
5 DRRMWFFNRK 0.05
6 RRRMWFFNRH 0.06
7 ERRPWFFNRK 0.08
8 RRRMWFFNRR 0.08
9 DRRPWFFNRK 0.09
10 KRRPWFFNRK 0.09
11 KRRMWFFNRH 0.1
12 RRRFWFFNRK 0.1
13 RRRPWFFNRH 0.1
14 ERRMWFFNRH 0.1
15 DRRMWFFNRH 0.11
16 ERRMWFFNRR 0.11
17 KRRMWFFNRR 0.12
18 RRRPWFFNRR 0.12
19 DRRMWFFNRR 0.12
20 ERRFWFFNRK 0.13
21 RRRWWFFNRK 0.13
22 ERRPWFFNRH 0.14
23 KRRFWFFNRK 0.14
24 DRRPWFFNRH 0.15
25 ERRPWFFNRR 0.15
26 KRRPWFFNRH 0.15
27 DRRFWFFNRK 0.15
28 RRRFWFFNRH 0.16
29 ERRWWFFNRK 0.16
30 KRRPWFFNRR 0.16
31 RRRFWFFNRR 0.17
32 DRRPWFFNRR 0.17
33 KRRWWFFNRK 0.17
34 DRRWWFFNRK 0.18
35 ERRFWFFNRH 0.19
36 RRRWWFFNRH 0.19
37 KRRFWFFNRH 0.2
38 RRRWWFFNRR 0.2
39 ERRFWFFNRR 0.21
40 DRRFWFFNRH 0.21
41 ERRWWFFNRH 0.22
42 KRRFWFFNRR 0.22
43 DRRFWFFNRR 0.22
44 KRRWWFFNRH 0.23
45 ERRWWFFNRR 0.24
46 DRRWWFFNRH 0.24
47 KRRWWFFNRR 0.25
48 DRRWWFFNRR 0.25
49 RRRMWFFNRF 0.3
50 ERRMWFFNRF 0.33
51 KRRMWFFNRF 0.34
52 RRRPWFFNRF 0.34
53 DRRMWFFNRF 0.34
54 ERRPWFFNRF 0.37
55 KRRPWFFNRF 0.38
56 RRRFWFFNRF 0.39
57 DRRPWFFNRF 0.39
58 RRRWWFFNRF 0.42
59 ERRFWFFNRF 0.43
60 KRRFWFFNRF 0.43
61 RLRMWFFNRK 0.44
62 DRRFWFFNRF 0.44
63 ERRWWFFNRF 0.46
64 ELRMWFFNRK 0.47
65 DRRWWFFNRF 0.47
66 KRRWWFFNRF 0.47
67 KLRMWFFNRK 0.48
68 RLRPWFFNRK 0.48
69 DLRMWFFNRK 0.49
70 RLRMWFFNRH 0.5
71 RLRMWFFNRR 0.52
72 ELRPWFFNRK 0.52
73 ELRMWFFNRH 0.53
74 DLRPWFFNRK 0.53
75 KLRPWFFNRK 0.53
76 KLRMWFFNRH 0.54
77 RLRFWFFNRK 0.54
78 RLRPWFFNRH 0.54
79 ELRMWFFNRR 0.55
80 DLRMWFFNRH 0.55
81 KLRMWFFNRR 0.56
82 DLRMWFFNRR 0.56
83 RLRPWFFNRR 0.56
84 ELRFWFFNRK 0.57
85 RLRWWFFNRK 0.57
86 ELRPWFFNRH 0.58
87 KLRFWFFNRK 0.58
88 ELRPWFFNRR 0.59
89 DLRPWFFNRH 0.59
90 DLRFWFFNRK 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRMWFFNRK

3.22

-11.55

-8.33
2 RRRFWFFNRK

2.26

-10.24

-7.98
3 KRRPWFFNRR

3.75

-11.52

-7.77
4 RRRPWFFNRK

4.15

-11.88

-7.73
5 RRRMWFFNRR

3.5

-10.94

-7.44
6 KRRMWFFNRH

2.25

-9.62

-7.37
7 ERRMWFFNRH

4.34

-11.69

-7.35
8 KRRMWFFNRR

2.21

-9.1

-6.89
9 KRRPWFFNRH

2.41

-9.22

-6.81
10 DRRPWFFNRK

3.58

-10.25

-6.67
11 DRRMWFFNRH

2.07

-8.71

-6.64
12 RRRFWFFNRH

2.56

-9.18

-6.62
13 RRRMWFFNRH

3.1

-9.71

-6.61
14 ERRPWFFNRK

3.27

-9.81

-6.54
15 KRRMWFFNRK

2.93

-9.43

-6.5
16 RRRWWFFNRK

3.06

-9.37

-6.31
17 DRRPWFFNRH

2.16

-8.41

-6.25
18 RRRPWFFNRR

3.34

-9.47

-6.13
19 DRRMWFFNRR

3.04

-9.15

-6.11
20 DRRMWFFNRK

2.7

-8.8

-6.1
21 ERRPWFFNRH

3.17

-9.22

-6.05
22 ERRWWFFNRK

3.37

-9.35

-5.98
23 ERRMWFFNRR

4.1

-9.98

-5.88
24 RRRPWFFNRH

3.11

-8.51

-5.4
25 DRRFWFFNRK

3.01

-8.39

-5.38
26 ERRPWFFNRR

4.56

-9.19

-4.63
27 KRRFWFFNRK

3.91

-8.49

-4.58
28 ERRMWFFNRK

3.08

-7.18

-4.1
29 ERRFWFFNRK

3.77

-7.79

-4.02
30 KRRPWFFNRK

3.25

-6.98

-3.73

 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.

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