Predicted ligand sequences


ADAN-name: 1F1W2.PDB (view again the scoring matrix)

PDB name: [1F1W.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S y V N V Q N
position 1 2 3 4 5 6 7
poly-Ala A
y
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 2.885 ΔGbinding -12.070
TOTAL
 -9.185
Backbone Hb -4.830 Cis_bond 0.000
Sidechain Hb -7.810 Torsional clash 0.820
Van der Waals -7.720 Backbone clash 0.660
Electrostatics -3.430 Helix dipole -0.180
Solvation Polar 13.620 Water bridges -0.910
Solvation Hyd -7.990 Disulfide 0.000
VdW clashes 0.770 Electrost. Kon -1.160
Entropy sc 3.410 Part.cov.bonds 0.000
Entropy mc

3.340

 ΔGstability

43.580
       

Predicted ligand sequences for template [1F1W2.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).
 
  1F1W2.PDB  

(data)
# Predicted Sequences Value Calculate
1 syDDspp 0.0
2 syDDsyp 0.0
3 syDDssp 0.02
4 syDDspy 0.08
5 syDDsyy 0.08
6 syDDsps 0.09
7 syDDsys 0.09
8 syDDssy 0.1
9 syDDsss 0.11
10 WyDDsyp 0.16
11 WyDDspp 0.16
12 PyDDsyp 0.18
13 PyDDspp 0.18
14 WyDDssp 0.18
15 PyDDssp 0.2
16 WyDDsyy 0.24
17 WyDDspy 0.24
18 WyDDsys 0.25
19 WyDDsps 0.25
20 PyDDsyy 0.26
21 PyDDspy 0.26
22 WyDDssy 0.26
23 PyDDsys 0.27
24 PyDDsps 0.27
25 WyDDsss 0.27
26 PyDDssy 0.28
27 PyDDsss 0.29
28 syMDspp 0.31
29 syMDsyp 0.32
30 syMDssp 0.33
31 syMDspy 0.39
32 syMDsps 0.4
33 syMDsyy 0.4
34 syMDssy 0.41
35 syMDsys 0.41
36 syMDsss 0.42
37 syDNsyp 0.46
38 syDNspp 0.46
39 WyMDspp 0.47
40 syDNssp 0.48
41 WyMDsyp 0.48
42 WyMDssp 0.49
43 PyMDspp 0.49
44 PyMDsyp 0.5
45 PyMDssp 0.51
46 syDNsyy 0.54
47 syDNspy 0.54
48 syDNsys 0.55
49 WyMDspy 0.55
50 syDNsps 0.55
51 syDNssy 0.56
52 WyMDsyy 0.56
53 WyMDsps 0.56
54 syDNsss 0.57
55 WyMDssy 0.57
56 PyMDspy 0.57
57 WyMDsys 0.57
58 WyMDsss 0.58
59 PyMDsps 0.58
60 PyMDsyy 0.58
61 PyMDssy 0.59
62 PyMDsys 0.59
63 PyMDsss 0.6
64 WyDNsyp 0.62
65 WyDNspp 0.62
66 WyDNssp 0.64
67 PyDNsyp 0.64
68 PyDNspp 0.64
69 PyDNssp 0.66
70 WyDNsyy 0.7
71 WyDNspy 0.7
72 WyDNsys 0.71
73 WyDNsps 0.71
74 WyDNssy 0.72
75 PyDNsyy 0.72
76 PyDNspy 0.72
77 WyDNsss 0.73
78 PyDNsys 0.73
79 PyDNsps 0.73
80 PyDNssy 0.74
81 PyDNsss 0.75
82 syMNspp 0.77
83 syMNsyp 0.78
84 syMNssp 0.79
85 syMNsyy 0.85
86 syMNspy 0.85
87 syMNsys 0.86
88 syMNsps 0.86
89 syMNssy 0.87
90 syMNsss 0.88
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 syDDsyp

2.6

-17.69

-15.09
2 syDDspp

1.88

-16.84

-14.96
3 syDDsss

2.09

-16.93

-14.84
4 syMDsyp

2.15

-16.62

-14.47
5 syDDsyy

2.12

-16.53

-14.41
6 syDDssy

2.57

-16.13

-13.56
7 syDDspy

2.41

-15.95

-13.54
8 PyDDsps

2.28

-15.78

-13.5
9 syMDssp

2.32

-15.62

-13.3
10 syDDsys

1.88

-15.02

-13.14
11 syDDsps

2.27

-14.82

-12.55
12 WyDDssy

2.94

-15.42

-12.48
13 PyDDssy

2.17

-14.63

-12.46
14 WyDDssp

1.95

-14.34

-12.39
15 WyDDspy

2.12

-14.42

-12.3
16 syMDspp

2.42

-14.72

-12.3
17 WyDDsps

2.35

-14.52

-12.17
18 WyDDsys

2.38

-14.52

-12.14
19 syDDssp

2.29

-14.04

-11.75
20 PyDDsys

2.98

-14.71

-11.73
21 WyDDsyp

2.57

-14.13

-11.56
22 PyDDsyp

2.89

-14.28

-11.39
23 WyDDspp

3.7

-14.88

-11.18
24 WyDDsss

2.46

-13.1

-10.64
25 WyDDsyy

1.93

-12.52

-10.59
26 PyDDsss

2.16

-12.71

-10.55
27 PyDDsyy

3.15

-13.68

-10.53
28 PyDDspp

1.77

-11.72

-9.95
29 PyDDssp

2.52

-12.26

-9.74
30 PyDDspy

2.11

-11.45

-9.34

 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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