Predicted ligand sequences


ADAN-name: 1PTT2.PDB (view again the scoring matrix)

PDB name: [1PTT.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT D E Y L
position 1 2 3 4
poly-Ala 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 2.831 ΔGbinding -5.216
TOTAL
 -2.385
Backbone Hb -3.050 Cis_bond 0.000
Sidechain Hb -2.150 Torsional clash 0.787
Van der Waals -8.179 Backbone clash 1.422
Electrostatics -1.940 Helix dipole -0.011
Solvation Polar 11.886 Water bridges -0.303
Solvation Hyd -10.631 Disulfide 0.000
VdW clashes 1.913 Electrost. Kon -0.984
Entropy sc 2.890 Part.cov.bonds 0.000
Entropy mc

4.556

 ΔGstability

50.089
       

Predicted ligand sequences for template [1PTT2.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).
 
  1PTT2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yTyR 0.0
2 ySyR 0.0
3 yVyR 0.19
4 WTyR 0.3
5 WSyR 0.3
6 WVyR 0.49
7 yFyR 0.51
8 yTyL 0.55
9 ySyL 0.55
10 yQyR 0.57
11 ETyR 0.71
12 ESyR 0.71
13 yVyL 0.73
14 WFyR 0.81
15 MTyR 0.83
16 MSyR 0.84
17 WTyL 0.84
18 WSyL 0.85
19 WQyR 0.87
20 EVyR 0.9
21 yTyY 1.02
22 MVyR 1.02
23 ySyY 1.02
24 WVyL 1.03
25 yFyL 1.06
26 PSyR 1.07
27 PTyR 1.07
28 yTyM 1.11
29 yQyL 1.12
30 ySyM 1.12
31 yVyY 1.2
32 EFyR 1.22
33 PVyR 1.25
34 ETyL 1.26
35 ESyL 1.26
36 EQyR 1.28
37 yVyM 1.3
38 WTyY 1.32
39 WSyY 1.32
40 MFyR 1.34
41 WFyL 1.36
42 MSyL 1.38
43 MTyL 1.38
44 WTyM 1.41
45 MQyR 1.41
46 WQyL 1.42
47 WSyM 1.42
48 EVyL 1.44
49 WVyY 1.5
50 yFyY 1.53
51 MVyL 1.56
52 PFyR 1.58
53 yQyY 1.59
54 WVyM 1.6
55 PTyL 1.61
56 PSyL 1.62
57 yFyM 1.63
58 PQyR 1.64
59 yQyM 1.69
60 ETyY 1.73
61 ESyY 1.73
62 EFyL 1.77
63 PVyL 1.8
64 WFyY 1.83
65 ETyM 1.83
66 ESyM 1.83
67 EQyL 1.83
68 MSyY 1.85
69 MTyY 1.85
70 MFyL 1.89
71 WQyY 1.89
72 EVyY 1.92
73 WFyM 1.93
74 MSyM 1.95
75 MQyL 1.95
76 MTyM 1.95
77 WQyM 1.99
78 EVyM 2.01
79 MVyY 2.04
80 PSyY 2.09
81 PTyY 2.09
82 PFyL 2.13
83 MVyM 2.13
84 PTyM 2.18
85 PSyM 2.19
86 PQyL 2.19
87 EFyY 2.24
88 PVyY 2.27
89 EQyY 2.3
90 EFyM 2.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WTyL

3.13

-13.04

-9.91
2 MSyR

2.96

-12.58

-9.62
3 WSyR

3.41

-12.89

-9.48
4 WVyL

3.08

-12.45

-9.37
5 WTyR

3.36

-12.67

-9.31
6 EVyR

2.98

-12.04

-9.06
7 PSyR

3.08

-12.01

-8.93
8 WQyR

3.3

-12.18

-8.88
9 ETyR

2.98

-11.46

-8.48
10 WFyR

3.32

-11.72

-8.4
11 MVyR

2.76

-11.08

-8.32
12 PTyR

2.96

-11.26

-8.3
13 yQyL

3.52

-11.73

-8.21
14 yQyR

3.02

-10.81

-7.79
15 yTyR

3.43

-11.04

-7.61
16 yVyR

3.33

-10.79

-7.46
17 WSyL

3.13

-10.58

-7.45
18 yVyL

5.6

-12.66

-7.06
19 yFyL

3.1

-9.96

-6.86
20 ySyR

3.02

-9.68

-6.66
21 yTyL

3.13

-9.78

-6.65
22 MTyR

3.03

-9.58

-6.55
23 WVyR

3.13

-9.64

-6.51
24 yTyY

3.35

-9.77

-6.42
25 ESyR

2.73

-9.15

-6.42
26 ySyM

3.51

-9.64

-6.13
27 yTyM

5.92

-11.69

-5.77
28 ySyL

5.7

-11.24

-5.54
29 yFyR

2.91

-8.22

-5.31
30 ySyY

3.37

-5.19

-1.82

 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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