Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-3.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 10
poly-Ala
A
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 4.349 ΔGbinding 2.829
TOTAL
 7.178
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 2.755
Van der Waals -4.259 Backbone clash 0.183
Electrostatics -0.186 Helix dipole 0.000
Solvation Polar 4.365 Water bridges -0.037
Solvation Hyd -6.369 Disulfide 0.000
VdW clashes 3.418 Electrost. Kon -0.212
Entropy sc 0.533 Part.cov.bonds 0.000
Entropy mc

2.819

 ΔGstability

21.075
       

Predicted ligand sequences for model [YSC84_2A08-3.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_2A08-3.PDB  

(data)
# Predicted Sequences Value Calculate
1 YQGWYWWPDW 0.0
2 YQGWYWWDDW 0.12
3 YQFWYWWPDW 0.14
4 YQYWYWWPDW 0.17
5 YQGWYWKPDW 0.21
6 YQGGYWWPDW 0.22
7 YQGWYWWPNW 0.23
8 YQFWYWWDDW 0.25
9 YQGWYWWEDW 0.25
10 YQGKYWWPDW 0.26
11 YQYWYWWDDW 0.29
12 YQGWYWRPDW 0.32
13 YQGWYWKDDW 0.33
14 YQGGYWWDDW 0.34
15 YQGWYWWDNW 0.35
16 YQFWYWKPDW 0.35
17 YQFGYWWPDW 0.36
18 YQFWYWWPNW 0.37
19 YQGKYWWDDW 0.38
20 YQYWYWKPDW 0.38
21 YQFWYWWEDW 0.39
22 YQFKYWWPDW 0.4
23 YQYGYWWPDW 0.4
24 YQYWYWWPNW 0.41
25 YQYWYWWEDW 0.42
26 YQGWFWWPDW 0.43
27 YQGGYWKPDW 0.43
28 YQGWKWWPDW 0.43
29 YQGWYWRDDW 0.44
30 YQGWYWKPNW 0.44
31 YQYKYWWPDW 0.44
32 YQGWYWKEDW 0.46
33 YQGGYWWPNW 0.46
34 YQGWYWWPDF 0.46
35 YQFWYWKDDW 0.46
36 YQFWYWRPDW 0.46
37 YQGKYWKPDW 0.47
38 YQGGYWWEDW 0.47
39 YQFGYWWDDW 0.47
40 YQGWYWWENW 0.48
41 YQFWYWWDNW 0.49
42 YQYWYWKDDW 0.5
43 YQYWYWRPDW 0.5
44 YQGKYWWPNW 0.5
45 YQYGYWWDDW 0.51
46 YQGKYWWEDW 0.51
47 YQFKYWWDDW 0.52
48 YQYWYWWDNW 0.52
49 YQGWFWWDDW 0.54
50 YQGWKWWDDW 0.54
51 YQGGYWKDDW 0.55
52 YQYKYWWDDW 0.55
53 YQGGYWRPDW 0.55
54 YQGWYWKDNW 0.56
55 YQFWFWWPDW 0.56
56 YQFWKWWPDW 0.56
57 YQGWYWRPNW 0.56
58 YQGGYWWDNW 0.57
59 YQFGYWKPDW 0.57
60 YQFWYWRDDW 0.57
61 YQGWYWREDW 0.57
62 YQGWYWWDDF 0.58
63 YQFWYWKPNW 0.58
64 YQFGYWWPNW 0.59
65 YQFWYWKEDW 0.59
66 YQGKYWRPDW 0.59
67 YQGKYWKDDW 0.59
68 YQFWYWWPDF 0.6
69 YQYWKWWPDW 0.6
70 YQYWFWWPDW 0.6
71 YQFGYWWEDW 0.61
72 YQGKYWWDNW 0.61
73 YQYWYWRDDW 0.61
74 YQYGYWKPDW 0.61
75 YQFKYWKPDW 0.61
76 YQFWYWWENW 0.62
77 YQYWYWKPNW 0.62
78 YQYWYWKEDW 0.63
79 YQYGYWWPNW 0.63
80 YQYWYWWPDF 0.64
81 YQGWFWKPDW 0.64
82 YQGWKWKPDW 0.64
83 YQFKYWWPNW 0.64
84 YQFKYWWEDW 0.65
85 YQGGKWWPDW 0.65
86 YQGGFWWPDW 0.65
87 YQYKYWKPDW 0.65
88 YQYGYWWEDW 0.65
89 YQGWKWWPNW 0.66
90 YQGWFWWPNW 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YQGGYWWDDW

2.34

-5.99

-3.65
2 YQGGYWWPDW

2.23

-4.27

-2.04
3 YQGGYWKPDW

2.52

-4.46

-1.94
4 YQGWYWWDNW

5.17

-6.02

-0.85
5 YQGKYWWDDW

4.45

-4.78

-0.33
6 YQFGYWWPDW

2.32

-2.6

-0.28
7 YQGWKWWPDW

4.69

-4.97

-0.28
8 YQGWYWWEDW

4.67

-4.91

-0.24
9 YQGWYWWPNW

4.71

-4.77

-0.06
10 YQGWYWKDDW

4.47

-4.12

0.35
11 YQGWYWKPNW

5.16

-4.53

0.63
12 YQFKYWWPDW

5.02

-4.31

0.71
13 YQGWYWWDDW

4.67

-3.81

0.86
14 YQYGYWWPDW

3.9

-2.98

0.92
15 YQGKYWWPDW

6.6

-5.61

0.99
16 YQGWYWWPDW

4.59

-3.6

0.99
17 YQGWYWRDDW

4.67

-3.18

1.49
18 YQGWFWWPDW

4.29

-2.6

1.69
19 YQGWYWRPDW

5.59

-3.9

1.69
20 YQYWYWWEDW

5.49

-3.76

1.73
21 YQYWYWWPNW

5.66

-3.81

1.85
22 YQGWYWKPDW

4.21

-1.97

2.24
23 YQFWYWWPNW

5.52

-3.2

2.32
24 YQFWYWWDDW

5.44

-3.09

2.35
25 YQFWYWKPDW

5.49

-2.99

2.5
26 YQFWYWWEDW

5.56

-2.93

2.63
27 YQYWYWWPDW

5.22

-2.54

2.68
28 YQYWYWWDDW

5.95

-2.85

3.1
29 YQFWYWWPDW

5.33

-2.14

3.19
30 YQYWYWKPDW

5.32

-1.8

3.52

 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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