Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-26.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
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 1.238 ΔGbinding 2.103
TOTAL
 3.341
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.458
Van der Waals -4.157 Backbone clash 0.019
Electrostatics 0.441 Helix dipole 0.000
Solvation Polar 4.652 Water bridges -0.041
Solvation Hyd -5.708 Disulfide 0.000
VdW clashes 3.917 Electrost. Kon 0.576
Entropy sc 0.677 Part.cov.bonds 0.000
Entropy mc

2.562

 ΔGstability

31.378
       

Predicted ligand sequences for model [YSC84_1CSK-26.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_1CSK-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 DDKPRKHHK 0.0
2 DDKPKKHHK 0.05
3 DDMPRKHHK 0.09
4 DRKPRKHHK 0.1
5 DDMPKKHHK 0.14
6 DRKPKKHHK 0.15
7 DDKPRKHPK 0.17
8 DDPPRKHHK 0.17
9 DRMPRKHHK 0.18
10 DDPPKKHHK 0.22
11 DDKPKKHPK 0.22
12 DDKPHKHHK 0.22
13 DRMPKKHHK 0.23
14 DDMPRKHPK 0.26
15 DRKPRKHPK 0.27
16 DRPPRKHHK 0.27
17 DEKPRKHHK 0.29
18 FDKPRKHHK 0.29
19 DDKPRKHSK 0.29
20 DDMPHKHHK 0.3
21 DRKPHKHHK 0.31
22 DDMPKKHPK 0.31
23 DRKPKKHPK 0.32
24 DRPPKKHHK 0.32
25 DDPPRKHPK 0.34
26 FDKPKKHHK 0.34
27 DDKPKKHSK 0.34
28 DEKPKKHHK 0.34
29 DRMPRKHPK 0.35
30 EDKPRKHHK 0.36
31 DDKPRKHHW 0.37
32 DDMPRKHSK 0.37
33 FDMPRKHHK 0.37
34 FRKPRKHHK 0.38
35 DEMPRKHHK 0.38
36 DDPPHKHHK 0.39
37 DDKPHKHPK 0.39
38 DRKPRKHSK 0.39
39 DDPPKKHPK 0.39
40 DRMPHKHHK 0.4
41 EDKPKKHHK 0.41
42 DRMPKKHPK 0.41
43 FDMPKKHHK 0.42
44 DEMPKKHHK 0.43
45 DDMPKKHSK 0.43
46 DDKPKKHHW 0.43
47 DRPPRKHPK 0.44
48 DRKPKKHSK 0.44
49 FRKPKKHHK 0.44
50 FDPPRKHHK 0.45
51 EDMPRKHHK 0.45
52 DDPPRKHSK 0.46
53 DEKPRKHPK 0.46
54 FDKPRKHPK 0.46
55 DDMPRKHHW 0.46
56 DEPPRKHHK 0.46
57 ERKPRKHHK 0.46
58 DRMPRKHSK 0.47
59 DDMPHKHPK 0.47
60 FRMPRKHHK 0.47
61 DRKPRKHHW 0.47
62 DRKPHKHPK 0.48
63 DRPPHKHHK 0.48
64 DRPPKKHPK 0.49
65 FDKPHKHHK 0.5
66 EDMPKKHHK 0.5
67 FDPPKKHHK 0.51
68 ERKPKKHHK 0.51
69 DEKPKKHPK 0.51
70 DDMPKKHHW 0.51
71 FDKPKKHPK 0.51
72 DDPPKKHSK 0.51
73 DEPPKKHHK 0.51
74 DDKPHKHSK 0.51
75 DEKPHKHHK 0.51
76 DRMPKKHSK 0.52
77 DRKPKKHHW 0.52
78 FRMPKKHHK 0.52
79 EDKPRKHPK 0.53
80 EDPPRKHHK 0.53
81 ERMPRKHHK 0.54
82 FDMPRKHPK 0.54
83 DDKPRKHPW 0.54
84 DDPPRKHHW 0.54
85 DRPPRKHSK 0.55
86 FRKPRKHPK 0.55
87 DEMPRKHPK 0.55
88 FRPPRKHHK 0.55
89 DRMPRKHHW 0.56
90 DDPPHKHPK 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DDMPRKHPK

1.27

-6.09

-4.82
2 DRPPRKHHK

2.24

-6.95

-4.71
3 DDMPKKHPK

1.11

-5.6

-4.49
4 DDPPRKHPK

1.0

-5.35

-4.35
5 DDPPKKHHK

1.86

-5.96

-4.1
6 DDMPRKHHK

1.86

-5.89

-4.03
7 DRMPRKHPK

1.39

-5.39

-4.0
8 DDKPHKHHK

0.95

-4.93

-3.98
9 DDKPRKHHK

1.6

-5.55

-3.95
10 DDKPRKHPK

1.15

-4.99

-3.84
11 DDKPKKHPK

1.02

-4.46

-3.44
12 DDPPRKHHK

1.51

-4.87

-3.36
13 DDKPKKHHK

1.73

-5.08

-3.35
14 DDKPKKHSK

1.09

-4.43

-3.34
15 DRMPRKHHK

1.55

-4.8

-3.25
16 DRKPRKHPK

1.3

-4.44

-3.14
17 DDMPHKHHK

2.61

-5.72

-3.11
18 DRPPKKHHK

2.17

-5.21

-3.04
19 DEKPKKHHK

1.52

-4.49

-2.97
20 FDKPKKHHK

1.49

-4.22

-2.73
21 DRKPHKHHK

1.73

-4.2

-2.47
22 DRKPKKHPK

0.9

-3.36

-2.46
23 DDMPKKHHK

1.68

-4.09

-2.41
24 DRKPKKHHK

1.57

-3.76

-2.19
25 DDKPRKHSK

1.09

-3.2

-2.11
26 DRMPKKHHK

2.1

-4.01

-1.91
27 DRKPRKHHK

1.82

-3.45

-1.63
28 EDKPRKHHK

1.98

-3.47

-1.49
29 DEKPRKHHK

1.6

-2.79

-1.19
30 FDKPRKHHK

2.09

-3.15

-1.06

 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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