Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-19.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 2.926 ΔGbinding 3.663
TOTAL
 6.589
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.189
Van der Waals -6.111 Backbone clash 0.072
Electrostatics 0.468 Helix dipole 0.000
Solvation Polar 7.525 Water bridges -0.079
Solvation Hyd -8.588 Disulfide 0.000
VdW clashes 4.236 Electrost. Kon 0.500
Entropy sc 0.841 Part.cov.bonds 0.000
Entropy mc

5.957

 ΔGstability

37.282
       

Predicted ligand sequences for model [YSC84_1CSK-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRHKHGHCW 0.0
2 KRKKHGHCW 0.03
3 KRRKHGHCW 0.07
4 KRHKNGHCW 0.1
5 KRIKHGHCW 0.1
6 KRKKNGHCW 0.12
7 KRHKHGHHW 0.14
8 KRKKHGHHW 0.16
9 KRRKNGHCW 0.17
10 MRHKHGHCW 0.2
11 KRIKNGHCW 0.2
12 KRRKHGHHW 0.21
13 MRKKHGHCW 0.23
14 KRIKHGHHW 0.24
15 KRHKNGHHW 0.24
16 KRKKNGHHW 0.26
17 MRRKHGHCW 0.27
18 MRHKNGHCW 0.3
19 MRIKHGHCW 0.31
20 KRRKNGHHW 0.31
21 MRKKNGHCW 0.33
22 MRHKHGHHW 0.34
23 KRIKNGHHW 0.34
24 KRHKHGRCW 0.35
25 KRKKHGRCW 0.37
26 MRRKNGHCW 0.37
27 MRKKHGHHW 0.37
28 MRRKHGHHW 0.41
29 MRIKNGHCW 0.41
30 KRRKHGRCW 0.42
31 MRHKNGHHW 0.44
32 KRHKNGRCW 0.45
33 MRIKHGHHW 0.45
34 KRIKHGRCW 0.45
35 LRHKHGHCW 0.46
36 KRKKNGRCW 0.47
37 MRKKNGHHW 0.47
38 KRHKHGRHW 0.49
39 LRKKHGHCW 0.49
40 MRRKNGHHW 0.51
41 KRKKHGRHW 0.51
42 KRRKNGRCW 0.52
43 LRRKHGHCW 0.53
44 MRIKNGHHW 0.54
45 KRIKNGRCW 0.55
46 MRHKHGRCW 0.55
47 KRRKHGRHW 0.56
48 LRHKNGHCW 0.56
49 LRIKHGHCW 0.57
50 KRHKNGRHW 0.58
51 MRKKHGRCW 0.58
52 KRIKHGRHW 0.59
53 LRKKNGHCW 0.59
54 LRHKHGHHW 0.6
55 KRKKNGRHW 0.61
56 MRRKHGRCW 0.62
57 LRRKNGHCW 0.63
58 LRKKHGHHW 0.63
59 KRRKNGRHW 0.65
60 MRHKNGRCW 0.65
61 MRIKHGRCW 0.66
62 LRIKNGHCW 0.66
63 LRRKHGHHW 0.67
64 MRKKNGRCW 0.68
65 KRIKNGRHW 0.69
66 MRHKHGRHW 0.69
67 LRHKNGHHW 0.7
68 LRIKHGHHW 0.7
69 MRKKHGRHW 0.72
70 MRRKNGRCW 0.72
71 LRKKNGHHW 0.73
72 MRIKNGRCW 0.75
73 MRRKHGRHW 0.76
74 LRRKNGHHW 0.77
75 MRIKHGRHW 0.79
76 MRHKNGRHW 0.79
77 LRIKNGHHW 0.8
78 LRHKHGRCW 0.81
79 MRKKNGRHW 0.81
80 LRKKHGRCW 0.84
81 MRRKNGRHW 0.86
82 LRRKHGRCW 0.88
83 MRIKNGRHW 0.89
84 LRHKNGRCW 0.91
85 LRIKHGRCW 0.91
86 LRKKNGRCW 0.93
87 LRHKHGRHW 0.95
88 LRKKHGRHW 0.98
89 LRRKNGRCW 0.98
90 LRIKNGRCW 1.01
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRHKNGHCW

2.27

-6.72

-4.45
2 KRRKNGHCW

2.67

-6.1

-3.43
3 KRHKNGHCW

2.73

-5.89

-3.16
4 MRRKHGHCW

2.3

-4.97

-2.67
5 KRKKNGHCW

3.2

-5.53

-2.33
6 KRRKHGHCW

3.15

-4.8

-1.65
7 KRHKHGHCW

2.63

-4.24

-1.61
8 MRKKNGHCW

3.22

-4.81

-1.59
9 KRRKHGRCW

3.32

-4.89

-1.57
10 KRHKHGRCW

3.06

-4.61

-1.55
11 MRRKNGHCW

3.81

-5.12

-1.31
12 KRKKHGHCW

2.11

-3.41

-1.3
13 MRIKHGHCW

2.63

-3.81

-1.18
14 KRIKHGHCW

2.61

-3.46

-0.85
15 MRHKHGHCW

3.16

-3.99

-0.83
16 MRRKHGHHW

3.44

-4.22

-0.78
17 KRIKNGHCW

3.8

-4.55

-0.75
18 KRKKHGRCW

3.27

-3.66

-0.39
19 MRKKHGHCW

3.73

-4.12

-0.39
20 MRIKNGHCW

3.85

-4.05

-0.2
21 KRHKNGHHW

4.39

-4.56

-0.17
22 KRKKHGHHW

3.37

-3.2

0.17
23 KRHKHGHHW

4.87

-4.36

0.51
24 MRKKHGHHW

3.76

-3.22

0.54
25 KRKKNGHHW

4.03

-2.9

1.13
26 KRRKNGHHW

4.84

-3.49

1.35
27 KRIKHGHHW

4.01

-2.53

1.48
28 KRRKHGHHW

4.65

-3.12

1.53
29 KRIKNGHHW

3.53

-1.98

1.55
30 MRHKHGHHW

4.34

-2.74

1.6

 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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