Predicted ligand sequences


ADAN-name: 2C1N2.PDB (view again the scoring matrix)

PDB name: [2C1N.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A R K s T G G K
position 1 2 3 4 5 6 7 8
poly-Ala A
A
 A A A
G
G
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 8.693 ΔGbinding -9.130
TOTAL
 -0.437
Backbone Hb -2.630 Cis_bond 0.000
Sidechain Hb -7.640 Torsional clash 0.660
Van der Waals -8.320 Backbone clash 0.660
Electrostatics -4.900 Helix dipole 0.020
Solvation Polar 16.580 Water bridges -1.540
Solvation Hyd -8.450 Disulfide 0.000
VdW clashes 2.480 Electrost. Kon -1.610
Entropy sc 4.450 Part.cov.bonds 0.000
Entropy mc

1.780

 ΔGstability

8.560
       

Predicted ligand sequences for template [2C1N2.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).
 
  2C1N2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GFIsGGWW 0.0
2 GFIsGGWM 0.13
3 yFIsGGWW 0.14
4 GFIEGGWW 0.16
5 GFIsGGWG 0.18
6 GFIsNGWW 0.23
7 yFIsGGWM 0.28
8 GFIEGGWM 0.29
9 yFIEGGWW 0.3
10 yFIsGGWG 0.32
11 MFIsGGWW 0.33
12 GFIEGGWG 0.34
13 GFIsNGWM 0.36
14 yFIsNGWW 0.37
15 GFIENGWW 0.38
16 GFLsGGWW 0.4
17 GFIsNGWG 0.4
18 GFIsSGWW 0.41
19 yFIEGGWM 0.44
20 GFIpGGWW 0.46
21 MFIsGGWM 0.47
22 yFIEGGWG 0.48
23 GFFsGGWW 0.48
24 MFIEGGWW 0.49
25 yFIsNGWM 0.5
26 MFIsGGWG 0.51
27 GFIENGWM 0.52
28 yFIENGWW 0.53
29 GFLsGGWM 0.54
30 GFIsSGWM 0.54
31 yFIsNGWG 0.55
32 yFIsSGWW 0.55
33 yFLsGGWW 0.55
34 GFIENGWG 0.56
35 GFLEGGWW 0.56
36 MFIsNGWW 0.56
37 GFIESGWW 0.57
38 GFLsGGWG 0.58
39 GFIsSGWG 0.59
40 GFIpGGWM 0.6
41 yFIpGGWW 0.61
42 GFFsGGWM 0.61
43 yFFsGGWW 0.62
44 MFIEGGWM 0.62
45 GFLsNGWW 0.63
46 GFIpGGWG 0.64
47 GFFEGGWW 0.64
48 yFIENGWM 0.66
49 GFFsGGWG 0.66
50 MFIEGGWG 0.67
51 yFLsGGWM 0.68
52 GFIpNGWW 0.69
53 MFIsNGWM 0.69
54 yFIsSGWM 0.69
55 GFLEGGWM 0.7
56 GFFsNGWW 0.7
57 GFIESGWM 0.7
58 yFLEGGWW 0.71
59 yFIESGWW 0.71
60 yFIENGWG 0.71
61 MFIENGWW 0.72
62 yFIsSGWG 0.73
63 yFLsGGWG 0.73
64 GFLEGGWG 0.74
65 MFLsGGWW 0.74
66 yFIpGGWM 0.74
67 MFIsNGWG 0.74
68 GFIESGWG 0.74
69 MFIsSGWW 0.74
70 yFFsGGWM 0.76
71 GFLsNGWM 0.76
72 yFLsNGWW 0.77
73 GFFEGGWM 0.77
74 yFFEGGWW 0.78
75 yFIpGGWG 0.79
76 GFLENGWW 0.79
77 yFFsGGWG 0.8
78 MFIpGGWW 0.8
79 GFLsSGWW 0.81
80 GFFEGGWG 0.81
81 MFFsGGWW 0.81
82 GFLsNGWG 0.81
83 GFIpNGWM 0.82
84 yFIpNGWW 0.83
85 yFIESGWM 0.84
86 yFLEGGWM 0.84
87 GFFsNGWM 0.84
88 yFFsNGWW 0.85
89 MFIENGWM 0.85
90 GFFENGWW 0.86
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 GFIpGGWW

5.16

-18.88

-13.72
2 yFIEGGWG

3.54

-16.45

-12.91
3 GFIEGGWG

2.51

-15.22

-12.71
4 yFIsNGWW

6.5

-18.72

-12.22
5 MFIEGGWW

4.83

-17.02

-12.19
6 MFIsGGWG

5.28

-17.32

-12.04
7 GFIsNGWW

5.91

-17.94

-12.03
8 GFIsSGWW

5.25

-16.85

-11.6
9 GFLsGGWM

4.83

-16.41

-11.58
10 GFIENGWW

4.43

-15.96

-11.53
11 GFIsNGWM

6.58

-18.09

-11.51
12 GFIEGGWM

3.86

-15.34

-11.48
13 GFIsGGWW

4.83

-16.22

-11.39
14 yFIsGGWG

5.69

-17.01

-11.32
15 MFIsGGWW

3.95

-15.23

-11.28
16 GFLsGGWW

4.98

-16.2

-11.22
17 GFIsGGWG

2.86

-14.03

-11.17
18 GFIEGGWW

3.89

-14.99

-11.1
19 GFIsGGWM

5.05

-16.07

-11.02
20 GFIENGWM

4.4

-15.34

-10.94
21 GFIsNGWG

3.7

-14.39

-10.69
22 GFFsGGWW

5.15

-15.6

-10.45
23 yFIENGWW

6.05

-16.26

-10.21
24 MFIsGGWM

5.21

-15.36

-10.15
25 yFIEGGWM

5.27

-15.08

-9.81
26 GFIsSGWM

4.85

-14.34

-9.49
27 yFIsGGWM

6.78

-14.05

-7.27
28 yFIsGGWW

6.85

-13.68

-6.83
29 yFIEGGWW

6.42

-12.6

-6.18
30 yFIsNGWM

7.79

-13.49

-5.7

 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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