Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-19.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    

(Help)

Intraclash 5.325 ΔGbinding -1.053
TOTAL
 4.272
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.253
Van der Waals -4.714 Backbone clash 0.001
Electrostatics 0.174 Helix dipole 0.000
Solvation Polar 4.584 Water bridges -0.007
Solvation Hyd -6.612 Disulfide 0.000
VdW clashes 1.418 Electrost. Kon 0.180
Entropy sc 0.840 Part.cov.bonds 0.000
Entropy mc

4.105

 ΔGstability

35.122
       

Predicted ligand sequences for model [RVS167_FYN-SSH-19.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).
 
  RVS167_FYN-SSH-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RIFMRGLLF 0.0
2 RIYMRGLLF 0.05
3 RIFMHGLLF 0.06
4 RIFMRGLLR 0.1
5 RIWMRGLLF 0.1
6 RIYMHGLLF 0.11
7 KIFMRGLLF 0.12
8 HIFMRGLLF 0.14
9 RIYMRGLLR 0.15
10 RIWMHGLLF 0.16
11 RIFMHGLLR 0.16
12 KIYMRGLLF 0.17
13 RPFMRGLLF 0.17
14 RIFMRGRLF 0.18
15 KIFMHGLLF 0.18
16 HIFMHGLLF 0.19
17 HIYMRGLLF 0.19
18 RIWMRGLLR 0.2
19 RIYMHGLLR 0.21
20 KIWMRGLLF 0.22
21 RIFMKGLLF 0.22
22 RPYMRGLLF 0.22
23 KIFMRGLLR 0.22
24 HIWMRGLLF 0.23
25 RIFMHGRLF 0.23
26 RIYMRGRLF 0.23
27 KIYMHGLLF 0.23
28 RPFMHGLLF 0.23
29 HIFMRGLLR 0.24
30 HIYMHGLLF 0.24
31 RIWMHGLLR 0.26
32 KIYMRGLLR 0.27
33 RPFMRGLLR 0.27
34 KIWMHGLLF 0.27
35 RIFPRGLLF 0.27
36 RPWMRGLLF 0.27
37 RIFMRGRLR 0.28
38 RPYMHGLLF 0.28
39 RIFMRGKLF 0.28
40 RIWMRGRLF 0.28
41 RIYMKGLLF 0.28
42 KIFMHGLLR 0.28
43 RIYMHGRLF 0.29
44 HIWMHGLLF 0.29
45 KPFMRGLLF 0.29
46 HIYMRGLLR 0.29
47 KIFMRGRLF 0.29
48 HPFMRGLLF 0.3
49 HIFMHGLLR 0.3
50 HIFMRGRLF 0.31
51 KIWMRGLLR 0.32
52 RPYMRGLLR 0.32
53 RIWMKGLLF 0.32
54 RIFMRGLLW 0.33
55 RIFMKGLLR 0.33
56 RIYPRGLLF 0.33
57 RIWMHGRLF 0.33
58 RIFPHGLLF 0.33
59 RIYMRGRLR 0.33
60 RPWMHGLLF 0.33
61 KIYMHGLLR 0.33
62 RPFMHGLLR 0.33
63 KPYMRGLLF 0.34
64 RIFMHGKLF 0.34
65 KPFMHGLLF 0.34
66 RIFMHGRLR 0.34
67 RIYMRGKLF 0.34
68 RPFMRGRLF 0.34
69 HIWMRGLLR 0.34
70 KIFMKGLLF 0.34
71 KIYMRGRLF 0.35
72 KIFMHGRLF 0.35
73 HIYMHGLLR 0.35
74 HIFMKGLLF 0.36
75 HIYMRGRLF 0.36
76 HPFMHGLLF 0.36
77 HPYMRGLLF 0.36
78 RIWPRGLLF 0.37
79 HIFMHGRLF 0.37
80 RPWMRGLLR 0.37
81 RIYPHGLLF 0.38
82 RPYMHGLLR 0.38
83 KIWMHGLLR 0.38
84 RIFPRGLLR 0.38
85 RIYMRGLLW 0.38
86 RIWMRGKLF 0.38
87 RIWMRGRLR 0.38
88 RIYMKGLLR 0.38
89 KPWMRGLLF 0.38
90 RIFMHGLLW 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RIFMRGLLF

5.01

-11.51

-6.5
2 RIFMRGRLF

4.45

-10.59

-6.14
3 RIYMRGLLR

5.41

-11.5

-6.09
4 RIWMRGLLR

5.05

-11.11

-6.06
5 RIYMRGLLF

5.61

-11.67

-6.06
6 KIYMHGLLF

4.46

-10.13

-5.67
7 KIYMRGLLF

5.04

-10.67

-5.63
8 RIFMRGLLR

5.35

-10.97

-5.62
9 RIFMHGLLR

4.75

-10.15

-5.4
10 KIFMHGLLF

4.8

-10.17

-5.37
11 RIFMHGRLF

5.13

-10.46

-5.33
12 RIYMHGLLF

5.02

-10.33

-5.31
13 RIYMRGRLF

5.72

-10.94

-5.22
14 HIFMRGLLF

4.92

-10.1

-5.18
15 KIFMRGLLF

5.38

-10.5

-5.12
16 KIFMRGLLR

5.64

-10.74

-5.1
17 KIWMRGLLF

4.81

-9.88

-5.07
18 RIWMRGLLF

5.33

-10.39

-5.06
19 RIYMHGLLR

4.84

-9.81

-4.97
20 RIWMHGLLF

4.67

-9.62

-4.95
21 HIFMRGLLR

5.53

-10.38

-4.85
22 HIYMHGLLF

4.77

-9.53

-4.76
23 RIFMKGLLF

5.38

-9.91

-4.53
24 HIYMRGLLF

5.06

-9.38

-4.32
25 RIFMHGLLF

5.16

-9.35

-4.19
26 HIFMHGLLF

4.94

-9.03

-4.09
27 HIWMRGLLF

5.11

-9.05

-3.94
28 RPYMRGLLF

4.19

-8.12

-3.93
29 RPFMRGLLF

4.98

-7.9

-2.92
30 RPFMHGLLF

4.63

-7.12

-2.49

 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