Predicted ligand sequences


ADAN-name: 1QCF3.PDB (view again the scoring matrix)

PDB name: [1QCF.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P Q K P W E K D
position 1 2 3 4 5 6 7 8
poly-Ala
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 3.507 ΔGbinding -10.210
TOTAL
 -6.703
Backbone Hb -1.230 Cis_bond 0.000
Sidechain Hb -1.220 Torsional clash 0.000
Van der Waals -6.030 Backbone clash 0.240
Electrostatics -0.860 Helix dipole 0.000
Solvation Polar 4.920 Water bridges -0.330
Solvation Hyd -8.750 Disulfide 0.000
VdW clashes 0.340 Electrost. Kon -0.510
Entropy sc 2.380 Part.cov.bonds 0.000
Entropy mc

1.080

 ΔGstability

12.200
       

Predicted ligand sequences for template [1QCF3.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).
 
  1QCF3.PDB  

(data)
# Predicted Sequences Value Calculate
1 PVRLDEWW 0.0
2 PPRLDEWW 0.0
3 PIRLDEWW 0.0
4 PIRPDEWW 0.02
5 PPRLDAWW 0.02
6 PPRPDEWW 0.02
7 PVRPDEWW 0.02
8 PVRLDAWW 0.02
9 PIRLDAWW 0.03
10 PPRPDAWW 0.04
11 PVRLDWWW 0.04
12 PPRLDWWW 0.04
13 PVRPDAWW 0.04
14 PIRPDAWW 0.05
15 PIRLDWWW 0.05
16 PPRPDWWW 0.07
17 PPRLFEWW 0.07
18 PVRPDWWW 0.07
19 PVRLFEWW 0.07
20 PIRPDWWW 0.07
21 PIRLFEWW 0.07
22 PVRLDEWR 0.08
23 PPRLDEWR 0.08
24 PIRLDEWR 0.08
25 PIRPFEWW 0.09
26 PIRLFAWW 0.09
27 PVRLFAWW 0.09
28 PPRLFAWW 0.09
29 PPRPFEWW 0.09
30 PVRPFEWW 0.09
31 PVRLHEWW 0.1
32 PIRPDEWR 0.1
33 PPRLDAWR 0.1
34 PPRLHEWW 0.1
35 PPRPDEWR 0.1
36 PVRPDEWR 0.1
37 PVRLDAWR 0.1
38 PIRPFAWW 0.11
39 PIRLHEWW 0.11
40 PPRPFAWW 0.11
41 PPRMDEWW 0.11
42 PIRLFWWW 0.11
43 PPRLFWWW 0.11
44 PVRLFWWW 0.11
45 PVRPFAWW 0.11
46 PIRLDAWR 0.11
47 PVRMDEWW 0.11
48 PIRMDEWW 0.12
49 PPRPDAWR 0.13
50 PIRPHEWW 0.13
51 PVRLDWWR 0.13
52 PVRLHAWW 0.13
53 PVRPFWWW 0.13
54 PIRPDAWR 0.13
55 PPRLHAWW 0.13
56 PPRLDWWR 0.13
57 PVRPHEWW 0.13
58 PPRPHEWW 0.13
59 PIRPFWWW 0.13
60 PIRLDWWR 0.13
61 PIRLHAWW 0.13
62 PVRPDAWR 0.13
63 PPRPFWWW 0.13
64 PIRMDAWW 0.14
65 PPRMDAWW 0.14
66 PVRMDAWW 0.14
67 PPRPHAWW 0.15
68 PPRLFEWR 0.15
69 PVRPHAWW 0.15
70 PVRPDWWR 0.15
71 PVRLFEWR 0.15
72 PIRPDWWR 0.15
73 PIRPHAWW 0.15
74 PPRPDWWR 0.15
75 PIRLFEWR 0.15
76 PVRLHWWW 0.15
77 PIRLHWWW 0.15
78 PPRLHWWW 0.15
79 PVRLDEWH 0.16
80 PPRLDEWH 0.16
81 PPRMDWWW 0.16
82 PVRMDWWW 0.16
83 PIRMDWWW 0.16
84 PIRPFEWR 0.17
85 PIRLFAWR 0.17
86 PVRPHWWW 0.17
87 PVRLFAWR 0.17
88 PPRLFAWR 0.17
89 PIRPHWWW 0.17
90 PPRPFEWR 0.17
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PIRLFEWW

1.93

-11.89

-9.96
2 PVRLDEWW

1.87

-11.51

-9.64
3 PIRLDEWR

2.08

-11.61

-9.53
4 PIRPDEWW

1.82

-11.29

-9.47
5 PIRLFAWW

1.81

-11.24

-9.43
6 PVRPDAWW

1.54

-10.95

-9.41
7 PPRLFAWW

1.94

-11.32

-9.38
8 PVRPFEWW

1.54

-10.88

-9.34
9 PIRLDAWW

2.17

-11.32

-9.15
10 PIRLDEWW

1.87

-10.82

-8.95
11 PPRPDAWW

1.63

-10.53

-8.9
12 PVRLDEWR

3.41

-12.24

-8.83
13 PVRLFAWW

2.08

-10.83

-8.75
14 PPRLDEWR

2.99

-11.65

-8.66
15 PPRPDEWW

2.82

-11.41

-8.59
16 PIRPDAWW

2.65

-11.13

-8.48
17 PIRLDWWW

2.03

-10.43

-8.4
18 PVRLDAWW

1.95

-10.28

-8.33
19 PPRLDAWW

2.88

-11.11

-8.23
20 PVRPDWWW

2.71

-10.42

-7.71
21 PVRPDEWW

3.82

-11.35

-7.53
22 PPRLFEWW

4.7

-12.06

-7.36
23 PPRLDEWW

4.47

-11.62

-7.15
24 PPRPFEWW

4.47

-11.57

-7.1
25 PIRPFEWW

4.33

-11.27

-6.94
26 PVRLFEWW

4.69

-11.56

-6.87
27 PIRPDWWW

4.41

-10.45

-6.04
28 PPRLDWWW

4.41

-10.42

-6.01
29 PVRLDWWW

4.4

-10.3

-5.9
30 PPRPDWWW

4.04

-9.57

-5.53

 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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