Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-13.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 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 1.642 ΔGbinding 0.302
TOTAL
 1.944
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.688
Van der Waals -2.899 Backbone clash 0.176
Electrostatics 0.189 Helix dipole 0.000
Solvation Polar 2.879 Water bridges 0.001
Solvation Hyd -4.027 Disulfide 0.000
VdW clashes 1.523 Electrost. Kon 0.186
Entropy sc 0.470 Part.cov.bonds 0.000
Entropy mc

2.567

 ΔGstability

12.713
       

Predicted ligand sequences for model [YSC84_2A08-13.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_2A08-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPYRNPWW 0.0
2 MPYINPWW 0.03
3 MLYRNPWW 0.05
4 MPYMNPWW 0.06
5 MLYINPWW 0.08
6 MLYMNPWW 0.11
7 MPYRNRWW 0.16
8 MPYRNPWR 0.16
9 MPYRNPWK 0.16
10 MPYINPWR 0.19
11 MPYINPWK 0.19
12 MPYINRWW 0.19
13 MLYRNPWR 0.2
14 MLYRNPWK 0.21
15 MLYRNRWW 0.21
16 MPYMNRWW 0.22
17 MPYMNPWR 0.22
18 MPYMNPWK 0.22
19 MPFRNPWW 0.22
20 MLYINPWR 0.23
21 MLYINPWK 0.24
22 MLYINRWW 0.24
23 MPFINPWW 0.25
24 MFYRNPWW 0.26
25 MLYMNRWW 0.27
26 MLYMNPWK 0.27
27 MLYMNPWR 0.27
28 MLFRNPWW 0.27
29 KPYRNPWW 0.27
30 MPYRNFWW 0.28
31 MPFMNPWW 0.28
32 MFYINPWW 0.29
33 KPYINPWW 0.3
34 MLFINPWW 0.3
35 KLYRNPWW 0.31
36 MPYINFWW 0.31
37 MPYRNRWK 0.32
38 MPYRNRWR 0.32
39 MFYMNPWW 0.32
40 MLFMNPWW 0.33
41 KPYMNPWW 0.33
42 MLYRNFWW 0.33
43 MPYMNFWW 0.34
44 FPYRNPWW 0.34
45 KLYINPWW 0.34
46 MPYINRWR 0.35
47 MPYINRWK 0.35
48 MLYRNRWR 0.36
49 MLYINFWW 0.36
50 MPPRNPWW 0.36
51 MLYRNRWK 0.37
52 KLYMNPWW 0.37
53 FPYINPWW 0.37
54 MPFRNRWW 0.38
55 MPYMNRWK 0.38
56 MPYMNRWR 0.38
57 FLYRNPWW 0.38
58 MPFRNPWR 0.38
59 MPFRNPWK 0.38
60 MLYMNFWW 0.39
61 MPPINPWW 0.39
62 MLYINRWR 0.39
63 FPYMNPWW 0.4
64 MLYINRWK 0.4
65 MPFINRWW 0.41
66 MPFINPWK 0.41
67 MPFINPWR 0.41
68 MLPRNPWW 0.41
69 FLYINPWW 0.41
70 MFYRNRWW 0.42
71 MFYRNPWK 0.42
72 MFYRNPWR 0.42
73 MLYMNRWR 0.42
74 KPYRNRWW 0.42
75 MPPMNPWW 0.42
76 MPYRNPRW 0.42
77 KPYRNPWR 0.42
78 MLYMNRWK 0.43
79 MLFRNPWR 0.43
80 MLFRNPWK 0.43
81 KPYRNPWK 0.43
82 MLFRNRWW 0.43
83 MPFMNRWW 0.44
84 MLPINPWW 0.44
85 MPYRNFWK 0.44
86 MPYRNFWR 0.44
87 MPFMNPWR 0.44
88 MPFMNPWK 0.44
89 MFYINPWR 0.45
90 MFYINPWK 0.45
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPYMNPWR

1.72

-8.06

-6.34
2 MPYMNPWK

1.58

-7.23

-5.65
3 MPYINPWK

1.91

-7.41

-5.5
4 MPYMNRWW

1.59

-7.02

-5.43
5 MPYRNPWR

1.86

-7.28

-5.42
6 MPYRNFWW

1.62

-6.87

-5.25
7 MPFINPWW

1.65

-6.88

-5.23
8 MPYINPWR

1.95

-7.13

-5.18
9 MPYRNPWK

1.71

-6.81

-5.1
10 MPYINRWW

1.74

-6.81

-5.07
11 MPYRNRWW

1.72

-6.74

-5.02
12 MPYINPWW

1.73

-6.62

-4.89
13 MPYRNPWW

1.71

-6.53

-4.82
14 MPFRNPWW

1.79

-6.36

-4.57
15 MLYMNPWK

2.31

-6.85

-4.54
16 KPYRNPWW

1.68

-6.1

-4.42
17 MPYMNPWW

1.7

-6.11

-4.41
18 MFYRNPWW

2.02

-6.38

-4.36
19 MLYRNRWW

2.24

-6.59

-4.35
20 MLYINPWR

2.59

-6.89

-4.3
21 MLYMNPWW

2.17

-6.38

-4.21
22 MLYMNPWR

2.44

-6.5

-4.06
23 MLFRNPWW

1.86

-5.91

-4.05
24 MLYMNRWW

2.06

-6.1

-4.04
25 MLYRNPWW

1.98

-5.94

-3.96
26 MLYRNPWR

2.08

-5.85

-3.77
27 MLYRNPWK

2.09

-5.79

-3.7
28 MLYINPWK

2.15

-5.78

-3.63
29 MLYINPWW

1.88

-5.51

-3.63
30 MLYINRWW

2.08

-5.31

-3.23

 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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