Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-5.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    

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Intraclash 2.346 ΔGbinding 1.006
TOTAL
 3.352
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.194
Van der Waals -4.755 Backbone clash 0.100
Electrostatics -0.042 Helix dipole 0.000
Solvation Polar 4.431 Water bridges 0.023
Solvation Hyd -7.323 Disulfide 0.000
VdW clashes 5.825 Electrost. Kon -0.011
Entropy sc 0.545 Part.cov.bonds 0.000
Entropy mc

2.394

 ΔGstability

33.075
       

Predicted ligand sequences for model [BUD14_1GCQ-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGYNMPRHHW 0.0
2 RGYNMPRRHW 0.01
3 RGYNMPRPHW 0.04
4 RGYNMPMHHW 0.07
5 RGYNMPRKHW 0.09
6 RGYNMPMRHW 0.09
7 RGYNMPMPHW 0.11
8 RGYRMPRHHW 0.13
9 RGYNFPRHHW 0.15
10 RGYRMPRRHW 0.15
11 RGYNFPRRHW 0.16
12 RGYWMPRHHW 0.16
13 RGYNMPMKHW 0.17
14 RGYWMPRRHW 0.17
15 RGYRMPRPHW 0.17
16 RGYNFPRPHW 0.18
17 RGYWMPRPHW 0.2
18 RGYRMPMHHW 0.21
19 RGYRMPMRHW 0.22
20 RGYNFPMHHW 0.22
21 RGYWMPMHHW 0.23
22 RGYRMPRKHW 0.23
23 RGYQMPRHHW 0.23
24 RGYQMPRRHW 0.24
25 RGYNFPRKHW 0.24
26 RGYRMPMPHW 0.24
27 RGYNFPMRHW 0.24
28 RGYWMPRKHW 0.25
29 RGYWMPMRHW 0.25
30 RGYNFPMPHW 0.26
31 RGYQMPRPHW 0.27
32 RGYWMPMPHW 0.27
33 RGYRFPRHHW 0.28
34 RGYNRPRHHW 0.28
35 RGYNRPRRHW 0.3
36 RGYRMPMKHW 0.3
37 RGYRFPRRHW 0.3
38 RGYQMPMHHW 0.3
39 RGYWFPRHHW 0.31
40 RGYRFPRPHW 0.32
41 RGYQMPMRHW 0.32
42 RGYWFPRRHW 0.32
43 RGYNRPRPHW 0.32
44 RGYNFPMKHW 0.32
45 RGYQMPRKHW 0.32
46 RGYWMPMKHW 0.33
47 RGYQMPMPHW 0.34
48 RGYNLPRHHW 0.34
49 RGYWFPRPHW 0.34
50 RGYNLPRRHW 0.35
51 RGYRFPMHHW 0.36
52 RGYNRPMHHW 0.36
53 RGYRFPMRHW 0.37
54 RGYNLPRPHW 0.37
55 RGYNRPMRHW 0.37
56 RGYWFPMHHW 0.38
57 RGYRFPRKHW 0.38
58 RGYQFPRHHW 0.38
59 RGYNRPRKHW 0.38
60 RGYRFPMPHW 0.39
61 RGYNRPMPHW 0.39
62 RGYNMPIHHW 0.39
63 RGYQFPRRHW 0.39
64 RGYWFPRKHW 0.4
65 RGYQMPMKHW 0.4
66 RGYWFPMRHW 0.4
67 RGYNMPIRHW 0.4
68 RGYQFPRPHW 0.41
69 RGYNLPMHHW 0.41
70 RGYNLPMRHW 0.42
71 RGYRRPRHHW 0.42
72 RGYWFPMPHW 0.42
73 RGYNLPRKHW 0.43
74 RGYRRPRRHW 0.43
75 RGYNMPIPHW 0.43
76 RGYWRPRHHW 0.44
77 RGYRRPRPHW 0.45
78 RGYRFPMKHW 0.45
79 RGYQFPMHHW 0.45
80 RGYNLPMPHW 0.45
81 RGYNRPMKHW 0.45
82 RGYWRPRRHW 0.46
83 RGYQFPMRHW 0.47
84 RGYRLPRHHW 0.47
85 RGYWFPMKHW 0.47
86 RGYQFPRKHW 0.47
87 RGYNMPIKHW 0.48
88 RGYRLPRRHW 0.48
89 RGYWRPRPHW 0.48
90 RGYWLPRHHW 0.49
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGYWMPMRHW

5.21

-10.93

-5.72
2 RGYNFPMHHW

5.2

-10.44

-5.24
3 RGYWMPMHHW

6.22

-11.22

-5.0
4 RGYNMPMHHW

5.46

-10.28

-4.82
5 RGYRMPMPHW

6.38

-10.93

-4.55
6 RGYNFPRHHW

4.52

-8.94

-4.42
7 RGYNFPMPHW

5.33

-9.67

-4.34
8 RGYRMPRKHW

5.62

-9.94

-4.32
9 RGYRMPMHHW

6.41

-10.66

-4.25
10 RGYNFPMRHW

5.37

-9.58

-4.21
11 RGYNMPMRHW

6.83

-11.0

-4.17
12 RGYRMPMRHW

6.68

-10.78

-4.1
13 RGYRMPRHHW

6.29

-10.18

-3.89
14 RGYNMPMKHW

6.89

-10.68

-3.79
15 RGYNFPRRHW

5.93

-9.6

-3.67
16 RGYNMPMPHW

7.18

-10.84

-3.66
17 RGYNMPRHHW

6.09

-9.55

-3.46
18 RGYWMPRKHW

6.15

-9.33

-3.18
19 RGYNMPRPHW

6.4

-9.55

-3.15
20 RGYRMPRRHW

6.24

-9.35

-3.11
21 RGYQMPRHHW

5.99

-9.01

-3.02
22 RGYWMPRHHW

5.81

-8.8

-2.99
23 RGYNFPRPHW

6.62

-9.57

-2.95
24 RGYNMPRRHW

5.85

-8.75

-2.9
25 RGYQMPRRHW

6.73

-9.61

-2.88
26 RGYWMPRPHW

6.62

-9.48

-2.86
27 RGYNFPRKHW

5.12

-7.76

-2.64
28 RGYRMPRPHW

7.22

-9.72

-2.5
29 RGYNMPRKHW

6.58

-8.65

-2.07
30 RGYWMPRRHW

6.55

-8.3

-1.75

 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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