Predicted ligand sequences


ADAN-name: 1CTP2.PDB (view again the scoring matrix)

PDB name: [1CTP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
poly-Ala
A
A
 A
A
A
A
 A
A
A
 G
A
A
G
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 29.531 ΔGbinding -13.208
TOTAL
 16.323
Backbone Hb -6.500 Cis_bond 0.000
Sidechain Hb -9.575 Torsional clash 9.475
Van der Waals -14.851 Backbone clash 0.849
Electrostatics -9.792 Helix dipole 0.013
Solvation Polar 23.787 Water bridges -0.093
Solvation Hyd -17.892 Disulfide 0.000
VdW clashes 4.326 Electrost. Kon -4.135
Entropy sc 6.911 Part.cov.bonds 0.000
Entropy mc

5.117

 ΔGstability

278.926
       

Predicted ligand sequences for template [1CTP2.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).
 
  1CTP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 YGsQGFRTGRNRyRHPSW 0.0
2 YGsQGFRTGQNRyRHPSW 0.01
3 YGsQGFRTGRNRyRHGSW 0.01
4 YGsQGFRTGQNRyRHGSW 0.02
5 YGsQGFRTGRNRDRHPSW 0.05
6 YGsQGFRRGRNRyRHPSW 0.05
7 YGsQGFRRGRNRyRHGSW 0.06
8 YGsQGFRTGRNRDRHGSW 0.06
9 YGsQGFRSGRNRyRHGSW 0.07
10 YGsQGFRSGRNRyRHPSW 0.07
11 YGsQGFRRGQNRyRHGSW 0.07
12 YGsQGFRTGQNRDRHPSW 0.07
13 YGsQGFRTGQNRDRHGSW 0.07
14 YGsQGFRRGQNRyRHPSW 0.07
15 YGsQGFRSGQNRyRHPSW 0.08
16 WGsQGFRTGRNRyRHPSW 0.09
17 YGsQGFRSGQNRyRHGSW 0.09
18 WGsQGFRTGRNRyRHGSW 0.09
19 WGsQGFRTGQNRyRHPSW 0.1
20 YGsQGFRRGRNRDRHPSW 0.1
21 YGsQGFRTGRNRyRHRSW 0.1
22 WGsQGFRTGQNRyRHGSW 0.11
23 YGsQGFRRGRNRDRHGSW 0.11
24 YGsQGFRTGQNRyRHRSW 0.11
25 YGsQGFRSGRNRDRHPSW 0.12
26 YGsQGFRRGQNRDRHGSW 0.12
27 YGsQGFRRGQNRDRHPSW 0.12
28 YGsQGFRSGRNRDRHGSW 0.12
29 YGsQGFRSGQNRDRHPSW 0.13
30 YGRQGFRTGRNRyRHGSW 0.14
31 YGsQGFRSGQNRDRHGSW 0.14
32 WGsQGFRRGRNRyRHPSW 0.14
33 WGsQGFRRGRNRyRHGSW 0.14
34 WGsQGFRTGRNRDRHPSW 0.14
35 YGsQGFRTGRNRQRHPSW 0.14
36 YGsQGFRTGRNRQRHGSW 0.14
37 WGsQGFRTGRNRDRHGSW 0.14
38 YGRQGFRTGRNRyRHPSW 0.14
39 YGsQGFRTGNNRyRHPSW 0.14
40 YGsQGFRTGQNRQRHPSW 0.15
41 YGRQGFRTGQNRyRHPSW 0.15
42 YGWQGFRTGRNRyRHPSW 0.15
43 YGsQGFRRGRNRyRHRSW 0.15
44 YGsQGFRTGRNRDRHRSW 0.15
45 WGsQGFRRGQNRyRHPSW 0.15
46 WGsQGFRSGRNRyRHPSW 0.15
47 YGWQGFRTGRNRyRHGSW 0.15
48 YGsQGFRTGNNRyRHGSW 0.15
49 WGsQGFRTGQNRDRHPSW 0.16
50 YGsQGFRTGQNRQRHGSW 0.16
51 YGRQGFRTGQNRyRHGSW 0.16
52 WGsQGFRSGRNRyRHGSW 0.16
53 YGWQGFRTGQNRyRHPSW 0.16
54 WGsQGFRRGQNRyRHGSW 0.16
55 YGsQGFRTGRNRyRHPSF 0.16
56 YGsQGFRRGQNRyRHRSW 0.16
57 WGsQGFRTGQNRDRHGSW 0.16
58 WGsQGFRSGQNRyRHPSW 0.17
59 YGWQGFRTGQNRyRHGSW 0.17
60 YGsQGFRTGRNRyRHGSF 0.17
61 WGsQGFRSGQNRyRHGSW 0.17
62 YGsQGFRSGRNRyRHRSW 0.17
63 YGsQGFRTGQNRDRHRSW 0.17
64 YGsQGFRTGQNRyRHGSF 0.18
65 YGsQGFRTGQNRyRHPSF 0.18
66 YGsQGFRSGQNRyRHRSW 0.18
67 YGsQGFRRGNNRyRHPSW 0.19
68 YGsQGFRTGNNRDRHPSW 0.19
69 WGsQGFRRGRNRDRHPSW 0.19
70 YGsQGFRRGRNRQRHGSW 0.19
71 YGsQGFRRGRNRQRHPSW 0.19
72 YGRQGFRTGRNRDRHGSW 0.19
73 YGRQGFRRGRNRyRHPSW 0.19
74 YGRQGFRTGRNRDRHPSW 0.19
75 WGsQGFRTGRNRyRHRSW 0.19
76 YGRQGFRRGRNRyRHGSW 0.19
77 WGsQGFRRGRNRDRHGSW 0.2
78 YGsQGFRTGNNRDRHGSW 0.2
79 YGRQGFRRGQNRyRHPSW 0.2
80 YGsQGFRRGRNRDRHRSW 0.2
81 YGWQGFRRGRNRyRHPSW 0.2
82 YGsQGFRRGQNRQRHPSW 0.2
83 YGRQGFRSGRNRyRHPSW 0.2
84 YGRQGFRTGQNRDRHPSW 0.2
85 YGWQGFRTGRNRDRHPSW 0.2
86 WGsQGFRTGQNRyRHRSW 0.2
87 YGWQGFRRGRNRyRHGSW 0.2
88 YGWQGFRTGRNRDRHGSW 0.2
89 YGsQGFRRGNNRyRHGSW 0.2
90 YGWQGFRRGQNRyRHPSW 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YGsQGFRSGRNRyRHPSW

15.24

-25.51

-10.27
2 WGsQGFRTGRNRyRHGSW

14.76

-24.35

-9.59
3 YGsQGFRTGRNRyRHRSW

15.05

-24.02

-8.97
4 YGsQGFRRGQNRyRHPSW

16.17

-24.94

-8.77
5 YGsQGFRTGRNRyRHGSW

15.13

-23.18

-8.05
6 YGsQGFRRGRNRyRHPSW

15.13

-23.16

-8.03
7 YGsQGFRRGQNRDRHPSW

15.56

-23.47

-7.91
8 YGRQGFRTGRNRyRHGSW

16.11

-23.96

-7.85
9 YGsQGFRRGRNRyRHGSW

16.44

-24.22

-7.78
10 YGsQGFRTGQNRyRHPSW

15.47

-22.97

-7.5
11 WGsQGFRTGQNRyRHGSW

17.28

-23.79

-6.51
12 YGsQGFRSGQNRyRHPSW

16.95

-23.3

-6.35
13 YGsQGFRTGQNRyRHGSW

16.07

-22.01

-5.94
14 YGsQGFRTGQNRDRHPSW

15.43

-19.6

-4.17
15 YGsQGFRRGQNRDRHGSW

15.96

-19.94

-3.98
16 YGsQGFRRGRNRDRHPSW

15.61

-19.2

-3.59
17 YGsQGFRTGQNRDRHGSW

16.15

-19.66

-3.51
18 YGsQGFRSGQNRDRHPSW

15.99

-18.95

-2.96
19 YGsQGFRRGRNRDRHGSW

16.03

-18.94

-2.91
20 YGsQGFRTGRNRDRHPSW

15.37

-18.24

-2.87
21 YGsQGFRTGRNRDRHGSW

16.57

-19.36

-2.79
22 YGsQGFRSGRNRyRHGSW

16.83

-19.37

-2.54
23 YGsQGFRSGRNRDRHGSW

15.35

-17.77

-2.42
24 YGsQGFRTGQNRyRHRSW

16.56

-18.79

-2.23
25 YGsQGFRSGRNRDRHPSW

15.91

-17.98

-2.07
26 WGsQGFRTGQNRyRHPSW

17.13

-18.95

-1.82
27 YGsQGFRTGRNRyRHPSW

16.64

-17.29

-0.65
28 YGsQGFRSGQNRyRHGSW

16.55

-17.17

-0.62
29 WGsQGFRTGRNRyRHPSW

17.75

-16.84

0.91
30 YGsQGFRRGQNRyRHGSW

19.3

-17.24

2.06

 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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