Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala
A
G
 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 0.316 ΔGbinding -3.282
TOTAL
 -2.966
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.241
Van der Waals -2.945 Backbone clash 0.214
Electrostatics 0.197 Helix dipole 0.000
Solvation Polar 3.323 Water bridges -0.026
Solvation Hyd -4.061 Disulfide 0.000
VdW clashes 0.102 Electrost. Kon 0.268
Entropy sc 0.678 Part.cov.bonds 0.000
Entropy mc

1.492

 ΔGstability

9.766
       

Predicted ligand sequences for model [YSC84_2A08-7.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).
 
  YSC84_2A08-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 YHPIRFMR 0.0
2 YHRIRFMR 0.07
3 YHPIRFFR 0.17
4 YHHIRFMR 0.18
5 YHPIRPMR 0.18
6 YHPIRFMW 0.19
7 YHRIRFFR 0.24
8 YHRIRPMR 0.25
9 YHRIRFMW 0.26
10 YHPIVFMR 0.27
11 YHRIVFMR 0.34
12 YHPIRPFR 0.34
13 YHHIRFFR 0.34
14 YHHIRPMR 0.35
15 YHPIRFFW 0.36
16 YHHIRFMW 0.37
17 YHPIRPMW 0.37
18 YHPIRFMF 0.39
19 YHRIRPFR 0.41
20 MHPIRFMR 0.41
21 YHPIRFRR 0.41
22 YFPIRFMR 0.42
23 YHRIRFFW 0.43
24 YHRIRPMW 0.44
25 YHPIVFFR 0.44
26 YHPIVPMR 0.45
27 YHHIVFMR 0.45
28 YHRIRFMF 0.46
29 YHPIVFMW 0.46
30 YHRIRFRR 0.48
31 YHPIMFMR 0.48
32 MHRIRFMR 0.48
33 YFRIRFMR 0.49
34 YHRIVFFR 0.51
35 YHRIVPMR 0.52
36 YHHIRPFR 0.52
37 YHPIRPFW 0.53
38 YHHIRFFW 0.53
39 YHHIRPMW 0.54
40 YHRIVFMW 0.54
41 YHRIMFMR 0.55
42 YHPIRFFF 0.55
43 YHHIRFMF 0.56
44 YHPIRPMF 0.56
45 MHPIRFFR 0.58
46 YHPIRPRR 0.59
47 MHHIRFMR 0.59
48 YFPIRFFR 0.59
49 YHHIRFRR 0.59
50 MHPIRPMR 0.59
51 YHRIRPFW 0.6
52 MHPIRFMW 0.6
53 YFHIRFMR 0.6
54 YFPIRPMR 0.6
55 YHPIRFRW 0.6
56 YHHIVFFR 0.61
57 YFPIRFMW 0.61
58 YHPIVPFR 0.61
59 YHRIRFFF 0.62
60 YHHIVPMR 0.62
61 YHPIVFFW 0.63
62 YHPIMFFR 0.64
63 YHRIRPMF 0.64
64 YHPIVPMW 0.64
65 YHHIVFMW 0.64
66 MHRIRFFR 0.65
67 YFRIRFFR 0.66
68 YHRIRPRR 0.66
69 YHPIMPMR 0.66
70 YHHIMFMR 0.66
71 MHRIRPMR 0.66
72 YHPIVFMF 0.66
73 YFRIRPMR 0.67
74 YHPIMFMW 0.67
75 YHRIRFRW 0.68
76 YHPIVFRR 0.68
77 MHPIVFMR 0.68
78 MHRIRFMW 0.68
79 YHRIVPFR 0.68
80 YFRIRFMW 0.69
81 YFPIVFMR 0.69
82 YHRIVFFW 0.7
83 YHRIMFFR 0.71
84 YHRIVPMW 0.71
85 YHHIRPFW 0.71
86 YHRIVFMF 0.73
87 YHPIRPFF 0.73
88 YHRIMPMR 0.73
89 YHHIRFFF 0.73
90 YHRIMFMW 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YHPIRFFR

1.74

-8.1

-6.36
2 YHRIRFFR

1.66

-7.99

-6.33
3 YHRIRFMW

1.85

-7.82

-5.97
4 YHPIRPMR

1.93

-7.86

-5.93
5 YHPIRPMW

1.89

-7.51

-5.62
6 YHRIRPMR

1.86

-7.26

-5.4
7 YHHIRPMR

1.56

-6.83

-5.27
8 YHRIRPFR

1.83

-7.04

-5.21
9 YFPIRFMR

2.94

-8.1

-5.16
10 YHPIVFFR

1.42

-6.43

-5.01
11 YHRIRPMW

2.7

-7.69

-4.99
12 YHRIRFMR

2.28

-7.25

-4.97
13 YHPIRFMF

1.87

-6.69

-4.82
14 YHPIRPFR

1.57

-6.39

-4.82
15 YHPIRFMR

2.21

-6.97

-4.76
16 MHPIRFMR

2.11

-6.7

-4.59
17 YHPIVPMR

2.09

-6.58

-4.49
18 YHHIRFMR

1.64

-6.06

-4.42
19 YHRIRFRR

1.97

-6.33

-4.36
20 YHRIVFMR

1.93

-6.26

-4.33
21 YHPIVFMW

1.82

-6.08

-4.26
22 YHHIRFFR

1.6

-5.81

-4.21
23 YHPIVFMR

1.92

-6.11

-4.19
24 YHHIVFMR

1.91

-6.01

-4.1
25 YHPIRFMW

2.76

-6.69

-3.93
26 YHRIRFMF

2.54

-6.4

-3.86
27 YHHIRFMW

1.85

-5.38

-3.53
28 YHPIRFFW

1.96

-5.42

-3.46
29 YHPIRFRR

1.9

-5.34

-3.44
30 YHRIRFFW

1.57

-4.75

-3.18

 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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