Predicted ligand sequences


ADAN-name: 2C1B2.PDB (view again the scoring matrix)

PDB name: [2C1B.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 H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
 A A
A
 A
A
A
A
A
G
A
A
 G
A
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 5.444 ΔGbinding -36.173
TOTAL
 -30.729
Backbone Hb -9.113 Cis_bond 0.000
Sidechain Hb -11.062 Torsional clash 1.612
Van der Waals -19.505 Backbone clash 0.218
Electrostatics -12.973 Helix dipole 0.072
Solvation Polar 29.311 Water bridges -0.523
Solvation Hyd -23.676 Disulfide 0.000
VdW clashes 0.227 Electrost. Kon -4.947
Entropy sc 7.340 Part.cov.bonds 0.000
Entropy mc

7.066

 ΔGstability

-84.156
       

Predicted ligand sequences for template [2C1B2.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).
 
  2C1B2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMFsFFRRMNWMRRRTWFWs 0.0
2 EMFpFFRRMNWMRRRTWFWs 0.01
3 EMFsFFRKMNWMRRRTWFWs 0.01
4 EMFsFFRHMNWMRRRTWFWs 0.01
5 DMFsFFRRMNWMRRRTWFWs 0.02
6 EMFpFFRKMNWMRRRTWFWs 0.02
7 EMFDFFRRMNWMRRRTWFWs 0.02
8 DMFsFFRKMNWMRRRTWFWs 0.02
9 ERFsFFRRMNWMRRRTWFWs 0.02
10 EMFpFFRHMNWMRRRTWFWs 0.02
11 DMFsFFRHMNWMRRRTWFWs 0.02
12 EMFDFFRKMNWMRRRTWFWs 0.03
13 EMFDFFRHMNWMRRRTWFWs 0.03
14 ERFsFFRKMNWMRRRTWFWs 0.03
15 DMFpFFRRMNWMRRRTWFWs 0.03
16 ERFpFFRRMNWMRRRTWFWs 0.03
17 ERFsFFRHMNWMRRRTWFWs 0.03
18 ERFpFFRHMNWMRRRTWFWs 0.04
19 DRFsFFRKMNWMRRRTWFWs 0.04
20 DMFpFFRHMNWMRRRTWFWs 0.04
21 DMFpFFRKMNWMRRRTWFWs 0.04
22 sMFsFFRRMNWMRRRTWFWs 0.04
23 ERFpFFRKMNWMRRRTWFWs 0.04
24 DMFDFFRRMNWMRRRTWFWs 0.04
25 DRFsFFRHMNWMRRRTWFWs 0.04
26 ERFDFFRRMNWMRRRTWFWs 0.04
27 DRFsFFRRMNWMRRRTWFWs 0.04
28 DMFDFFRHMNWMRRRTWFWs 0.04
29 DMFDFFRKMNWMRRRTWFWs 0.05
30 ERFDFFRKMNWMRRRTWFWs 0.05
31 DRFpFFRRMNWMRRRTWFWs 0.05
32 ERFDFFRHMNWMRRRTWFWs 0.05
33 sMFsFFRKMNWMRRRTWFWs 0.05
34 sMFpFFRRMNWMRRRTWFWs 0.05
35 sMFsFFRHMNWMRRRTWFWs 0.05
36 DRFpFFRHMNWMRRRTWFWs 0.05
37 sMFDFFRRMNWMRRRTWFWs 0.06
38 sMFpFFRKMNWMRRRTWFWs 0.06
39 DRFDFFRKMNWMRRRTWFWs 0.06
40 DRFDFFRRMNWMRRRTWFWs 0.06
41 DRFpFFRKMNWMRRRTWFWs 0.06
42 sMFpFFRHMNWMRRRTWFWs 0.06
43 sRFsFFRRMNWMRRRTWFWs 0.06
44 DRFDFFRHMNWMRRRTWFWs 0.06
45 sMFDFFRKMNWMRRRTWFWs 0.07
46 sRFpFFRRMNWMRRRTWFWs 0.07
47 sRFsFFRKMNWMRRRTWFWs 0.07
48 sMFDFFRHMNWMRRRTWFWs 0.07
49 sRFsFFRHMNWMRRRTWFWs 0.07
50 sRFpFFRHMNWMRRRTWFWs 0.08
51 sRFpFFRKMNWMRRRTWFWs 0.08
52 sRFDFFRRMNWMRRRTWFWs 0.08
53 sRFDFFRKMNWMRRRTWFWs 0.09
54 sRFDFFRHMNWMRRRTWFWs 0.09
55 EMFsFFRKMNWMRRRTWFWD 0.14
56 EMFsFFRHMNWMRRRTWFWD 0.14
57 EMFsFFRRMNWMRRRTWFWD 0.14
58 DMFsFFRRMNWMRRRTWFWD 0.15
59 EMFpFFRRMNWMRRRTWFWD 0.15
60 EMFpFFRHMNWMRRRTWFWD 0.15
61 EWFsFFRRMNWMRRRTWFWs 0.15
62 EMFDFFRHMNWMRRRTWFWD 0.16
63 ERFsFFRKMNWMRRRTWFWD 0.16
64 EMFDFFRRMNWMRRRTWFWD 0.16
65 EWFsFFRKMNWMRRRTWFWs 0.16
66 DMFsFFRKMNWMRRRTWFWD 0.16
67 EMFDFFRKMNWMRRRTWFWD 0.16
68 ERFsFFRRMNWMRRRTWFWD 0.16
69 DMFsFFRHMNWMRRRTWFWD 0.16
70 EWFsFFRHMNWMRRRTWFWs 0.16
71 EMFpFFRKMNWMRRRTWFWD 0.16
72 ERFsFFRHMNWMRRRTWFWD 0.16
73 EMFsFFRHMRWMRRRTWFWs 0.17
74 ERFpFFRRMNWMRRRTWFWD 0.17
75 DMFpFFRRMNWMRRRTWFWD 0.17
76 ERFpFFRHMNWMRRRTWFWD 0.17
77 EWFpFFRKMNWMRRRTWFWs 0.17
78 DMFpFFRKMNWMRRRTWFWD 0.17
79 EWFpFFRRMNWMRRRTWFWs 0.17
80 DMFpFFRHMNWMRRRTWFWD 0.17
81 ERFpFFRKMNWMRRRTWFWD 0.17
82 DMFDFFRRMNWMRRRTWFWD 0.17
83 EMFsFFRRMNWMKRRTWFWs 0.17
84 EMFsFFRRMRWMRRRTWFWs 0.17
85 DWFsFFRRMNWMRRRTWFWs 0.17
86 DRFsFFRRMNWMRRRTWFWD 0.17
87 EWFDFFRRMNWMRRRTWFWs 0.17
88 EWFpFFRHMNWMRRRTWFWs 0.17
89 ERFDFFRKMNWMRRRTWFWD 0.18
90 EWFDFFRHMNWMRRRTWFWs 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DMFDFFRKMNWMRRRTWFWs

7.41

-40.35

-32.94
2 EMFDFFRHMNWMRRRTWFWs

8.09

-37.19

-29.1
3 DMFDFFRRMNWMRRRTWFWs

8.59

-35.77

-27.18
4 EMFsFFRKMNWMRRRTWFWs

8.02

-35.14

-27.12
5 DRFsFFRKMNWMRRRTWFWs

8.94

-36.04

-27.1
6 sMFsFFRRMNWMRRRTWFWs

9.43

-36.36

-26.93
7 ERFsFFRKMNWMRRRTWFWs

8.47

-35.15

-26.68
8 DMFsFFRHMNWMRRRTWFWs

8.66

-35.03

-26.37
9 DMFpFFRRMNWMRRRTWFWs

5.96

-31.72

-25.76
10 ERFpFFRHMNWMRRRTWFWs

9.97

-35.67

-25.7
11 DMFpFFRHMNWMRRRTWFWs

11.34

-36.91

-25.57
12 DRFsFFRRMNWMRRRTWFWs

8.99

-34.38

-25.39
13 DMFsFFRRMNWMRRRTWFWs

9.93

-34.99

-25.06
14 EMFsFFRHMNWMRRRTWFWs

6.62

-31.41

-24.79
15 ERFpFFRKMNWMRRRTWFWs

9.53

-34.26

-24.73
16 ERFDFFRKMNWMRRRTWFWs

5.68

-29.85

-24.17
17 EMFpFFRHMNWMRRRTWFWs

8.32

-31.74

-23.42
18 DMFsFFRKMNWMRRRTWFWs

9.75

-33.11

-23.36
19 DRFsFFRHMNWMRRRTWFWs

5.93

-29.01

-23.08
20 ERFsFFRHMNWMRRRTWFWs

9.95

-32.92

-22.97
21 DMFpFFRKMNWMRRRTWFWs

9.18

-31.41

-22.23
22 ERFsFFRRMNWMRRRTWFWs

6.5

-28.72

-22.22
23 ERFDFFRRMNWMRRRTWFWs

6.17

-28.2

-22.03
24 DMFDFFRHMNWMRRRTWFWs

6.42

-27.82

-21.4
25 EMFsFFRRMNWMRRRTWFWs

6.48

-27.28

-20.8
26 EMFpFFRKMNWMRRRTWFWs

10.85

-31.64

-20.79
27 ERFpFFRRMNWMRRRTWFWs

6.21

-26.65

-20.44
28 EMFDFFRRMNWMRRRTWFWs

12.79

-32.98

-20.19
29 EMFDFFRKMNWMRRRTWFWs

10.18

-27.7

-17.52
30 EMFpFFRRMNWMRRRTWFWs

6.73

-23.33

-16.6

 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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