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Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-9.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    

(Help)

Intraclash 0.468 ΔGbinding -1.541
TOTAL
 -1.073
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.373
Van der Waals -3.124 Backbone clash 0.164
Electrostatics 0.210 Helix dipole 0.000
Solvation Polar 3.486 Water bridges -0.054
Solvation Hyd -4.213 Disulfide 0.000
VdW clashes 0.940 Electrost. Kon 0.271
Entropy sc 0.647 Part.cov.bonds 0.000
Entropy mc

2.473

 ΔGstability

16.705
       

Predicted ligand sequences for model [YSC84_1OOT-9.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_1OOT-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 KFPIDPRW 0.0
2 KFFIDPRW 0.06
3 KFWIDPRW 0.07
4 KYPIDPRW 0.1
5 KFPRDPRW 0.12
6 KRPIDPRW 0.14
7 KFPIDRRW 0.16
8 KYFIDPRW 0.16
9 KYWIDPRW 0.17
10 KFFRDPRW 0.18
11 KFWRDPRW 0.18
12 KFPIDLRW 0.18
13 KRWIDPRW 0.21
14 KRFIDPRW 0.21
15 KYPRDPRW 0.22
16 KFFIDRRW 0.22
17 KFWIDRRW 0.23
18 KFPKDPRW 0.24
19 KFFIDLRW 0.25
20 KFWIDLRW 0.25
21 KYPIDRRW 0.26
22 KRPRDPRW 0.26
23 KFPRDRRW 0.28
24 KYWRDPRW 0.28
25 KYFRDPRW 0.28
26 KYPIDLRW 0.29
27 KFFKDPRW 0.3
28 KFPRDLRW 0.3
29 KRPIDRRW 0.31
30 KFWKDPRW 0.31
31 KRFRDPRW 0.32
32 KYFIDRRW 0.33
33 KRWRDPRW 0.33
34 KRPIDLRW 0.33
35 KYWIDRRW 0.33
36 KFFRDRRW 0.34
37 KYPKDPRW 0.34
38 KFWRDRRW 0.34
39 KYWIDLRW 0.35
40 KYFIDLRW 0.35
41 KFFRDLRW 0.36
42 KFWRDLRW 0.37
43 KRFIDRRW 0.37
44 KRWIDRRW 0.37
45 KFPIDPRK 0.38
46 KYPRDRRW 0.38
47 MFPIDPRW 0.38
48 KRFIDLRW 0.39
49 KRPKDPRW 0.39
50 KYFKDPRW 0.4
51 KFPKDRRW 0.4
52 KYPRDLRW 0.4
53 KRWIDLRW 0.4
54 KYWKDPRW 0.41
55 KRPRDRRW 0.42
56 KFPKDLRW 0.43
57 MFFIDPRW 0.44
58 KYFRDRRW 0.44
59 KYWRDRRW 0.45
60 MFWIDPRW 0.45
61 KRPRDLRW 0.45
62 KRFKDPRW 0.45
63 KRWKDPRW 0.45
64 KFFIDPRK 0.45
65 KFWIDPRK 0.45
66 KYFRDLRW 0.46
67 KFFKDRRW 0.46
68 KYWRDLRW 0.47
69 KFWKDRRW 0.47
70 MYPIDPRW 0.48
71 KRFRDRRW 0.48
72 KYPIDPRK 0.48
73 KFFKDLRW 0.49
74 KFPIDPRI 0.49
75 KFWKDLRW 0.49
76 KRWRDRRW 0.49
77 KFPRDPRK 0.5
78 MFPRDPRW 0.5
79 KRFRDLRW 0.51
80 KYPKDRRW 0.51
81 KRWRDLRW 0.51
82 KRPIDPRK 0.53
83 MRPIDPRW 0.53
84 KYPKDLRW 0.53
85 MFPIDRRW 0.54
86 KFPIDRRK 0.55
87 KYWIDPRK 0.55
88 KYFIDPRK 0.55
89 MYWIDPRW 0.55
90 KFFIDPRI 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRFIDPRW

1.62

-8.18

-6.56
2 KRPIDRRW

1.45

-7.85

-6.4
3 KFWIDLRW

1.4

-7.62

-6.22
4 KRPIDPRW

1.31

-7.52

-6.21
5 KFFIDRRW

1.15

-7.29

-6.14
6 KRPRDPRW

1.45

-7.56

-6.11
7 KFPIDRRW

1.23

-7.25

-6.02
8 KFFIDLRW

1.11

-7.02

-5.91
9 KYPIDRRW

1.16

-7.0

-5.84
10 KFWIDRRW

1.16

-6.93

-5.77
11 KRWIDPRW

1.59

-7.27

-5.68
12 KFPKDPRW

1.21

-6.87

-5.66
13 KFPRDRRW

1.33

-6.88

-5.55
14 KFPIDLRW

1.24

-6.76

-5.52
15 KYPRDPRW

1.67

-7.14

-5.47
16 KYWIDPRW

1.32

-6.78

-5.46
17 KYFIDPRW

1.17

-6.61

-5.44
18 KYPIDLRW

1.38

-6.8

-5.42
19 KFWIDPRW

1.34

-6.74

-5.4
20 KFPRDLRW

1.4

-6.72

-5.32
21 KFFKDPRW

1.25

-6.56

-5.31
22 KYFRDPRW

1.5

-6.77

-5.27
23 KFPRDPRW

1.47

-6.71

-5.24
24 KYPIDPRW

1.31

-6.37

-5.06
25 KFWKDPRW

1.21

-5.99

-4.78
26 KYWRDPRW

1.48

-5.95

-4.47
27 KFWRDPRW

1.96

-6.43

-4.47
28 KFFIDPRW

1.2

-5.47

-4.27
29 KFFRDPRW

1.23

-5.21

-3.98
30 KFPIDPRW

1.92

-5.66

-3.74

 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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