Predicted ligand sequences


ADAN-name: 2NPM2.PDB (view again the scoring matrix)

PDB name: [2NPM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R A I s L P
position 1 2 3 4 5 6
poly-Ala 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 3.044 ΔGbinding -15.210
TOTAL
 -12.166
Backbone Hb -2.800 Cis_bond 0.000
Sidechain Hb -7.430 Torsional clash 0.190
Van der Waals -8.060 Backbone clash 0.620
Electrostatics -4.350 Helix dipole -0.010
Solvation Polar 13.860 Water bridges -0.950
Solvation Hyd -10.410 Disulfide 0.000
VdW clashes 0.310 Electrost. Kon -2.840
Entropy sc 5.540 Part.cov.bonds 0.000
Entropy mc

1.740

 ΔGstability

-36.850
       

Predicted ligand sequences for template [2NPM2.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).
 
  2NPM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WLMsMW 0.0
2 WCMsMW 0.01
3 FLMsMW 0.03
4 FCMsMW 0.04
5 WDMsMW 0.08
6 YLMsMW 0.08
7 YCMsMW 0.09
8 FDMsMW 0.11
9 YDMsMW 0.16
10 WLIsMW 0.17
11 WLMsYW 0.17
12 WCMsYW 0.18
13 WCIsMW 0.19
14 FLMsYW 0.2
15 FLIsMW 0.2
16 FCIsMW 0.22
17 FCMsYW 0.22
18 YLIsMW 0.25
19 WDIsMW 0.25
20 YLMsYW 0.25
21 WDMsYW 0.25
22 YCMsYW 0.26
23 YCIsMW 0.27
24 FDMsYW 0.28
25 FDIsMW 0.28
26 WLMsMF 0.31
27 YDIsMW 0.33
28 YDMsYW 0.33
29 WCMsMF 0.33
30 FLMsMF 0.34
31 WLIsYW 0.34
32 FCMsMF 0.36
33 WCIsYW 0.36
34 FLIsYW 0.37
35 WDMsMF 0.39
36 YLMsMF 0.39
37 FCIsYW 0.39
38 YCMsMF 0.41
39 WDIsYW 0.42
40 YLIsYW 0.42
41 FDMsMF 0.42
42 YCIsYW 0.44
43 FDIsYW 0.45
44 WLMDMW 0.46
45 WCMDMW 0.47
46 YDMsMF 0.47
47 FLMDMW 0.48
48 WLIsMF 0.48
49 WLMsYF 0.48
50 WCIsMF 0.5
51 FCMDMW 0.5
52 WCMsYF 0.5
53 YDIsYW 0.5
54 FLMsYF 0.51
55 FLIsMF 0.51
56 YLMDMW 0.53
57 WDMDMW 0.53
58 FCIsMF 0.53
59 FCMsYF 0.53
60 YCMDMW 0.55
61 YLIsMF 0.56
62 WDIsMF 0.56
63 FDMDMW 0.56
64 YLMsYF 0.56
65 WDMsYF 0.56
66 YCMsYF 0.57
67 YCIsMF 0.58
68 FDMsYF 0.59
69 FDIsMF 0.59
70 YDMDMW 0.61
71 WLMDYW 0.62
72 WLIDMW 0.63
73 WCIDMW 0.64
74 YDMsYF 0.64
75 WCMDYW 0.64
76 YDIsMF 0.64
77 WLIsYF 0.65
78 FLMDYW 0.66
79 FLIDMW 0.66
80 FCIDMW 0.67
81 WCIsYF 0.67
82 FCMDYW 0.67
83 FLIsYF 0.68
84 WDMDYW 0.7
85 YLMDYW 0.7
86 FCIsYF 0.7
87 WDIDMW 0.71
88 YLIDMW 0.71
89 YCMDYW 0.72
90 YCIDMW 0.72
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WLMsMF

3.75

-18.13

-14.38
2 FLMsMF

3.77

-17.43

-13.66
3 YLMsYW

3.95

-17.29

-13.34
4 YDMsMW

3.61

-16.92

-13.31
5 FLMsYW

4.1

-17.37

-13.27
6 WCMsYW

3.33

-16.59

-13.26
7 YLMsMW

3.84

-17.07

-13.23
8 WDMsMW

3.2

-16.31

-13.11
9 FLMsMW

3.84

-16.89

-13.05
10 YLIsMW

3.84

-16.7

-12.86
11 WDMsYW

3.72

-16.58

-12.86
12 WLMsYW

3.97

-16.8

-12.83
13 WCMsMF

2.99

-15.71

-12.72
14 FCMsYW

3.46

-16.17

-12.71
15 FLIsMW

3.76

-16.46

-12.7
16 WLMsMW

3.64

-16.34

-12.7
17 WLIsMW

3.78

-16.47

-12.69
18 YCMsMW

2.98

-15.6

-12.62
19 FCMsMW

3.14

-15.67

-12.53
20 FCIsMW

3.01

-15.53

-12.52
21 FDMsYW

3.86

-16.33

-12.47
22 FDIsMW

3.37

-15.82

-12.45
23 WDIsMW

3.51

-15.93

-12.42
24 YCMsYW

3.33

-15.71

-12.38
25 YDMsYW

3.67

-16.0

-12.33
26 FDMsMW

3.71

-15.99

-12.28
27 WCIsMW

3.02

-15.29

-12.27
28 WCMsMW

2.99

-15.18

-12.19
29 YCIsMW

3.02

-14.94

-11.92
30 YDIsMW

3.52

-14.75

-11.23

 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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