Predicted ligand sequences


ADAN-name: 2C1M3.PDB (view again the scoring matrix)

PDB name: [2C1M.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V E E M G T F S V A S E E V M K N R A V
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
G
 A A A
A
A
 A A
A
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 4.233 ΔGbinding -19.126
TOTAL
 -14.893
Backbone Hb -9.500 Cis_bond 0.000
Sidechain Hb -6.688 Torsional clash 0.548
Van der Waals -16.938 Backbone clash 3.240
Electrostatics -5.660 Helix dipole -0.087
Solvation Polar 24.356 Water bridges -0.188
Solvation Hyd -21.264 Disulfide 0.000
VdW clashes 0.415 Electrost. Kon -1.659
Entropy sc 7.556 Part.cov.bonds 0.000
Entropy mc

9.982

 ΔGstability

-81.381
       

Predicted ligand sequences for template [2C1M3.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).
 
  2C1M3.PDB  

(data)
# Predicted Sequences Value Calculate
1 SMsMGQFRWMKDPRDKYREN 0.0
2 SMsMGQFRWMKDPRQKYREN 0.04
3 SMsMGQFRWMRDPRDKYREN 0.04
4 SMsMGNFRWMKDPRDKYREN 0.04
5 SMsMGQFRWMKDPRDTYREN 0.06
6 TMsMGQFRWMKDPRDKYREN 0.07
7 SMsMGNFRWMKDPRQKYREN 0.08
8 SMsMGQFRWMRDPRQKYREN 0.08
9 SMsMGNFRWMRDPRDKYREN 0.08
10 SMsMGQFRWMKDPRDSYREN 0.08
11 SMsMGNFRWMKDPRDTYREN 0.1
12 SMsMGQFRWMRDPRDTYREN 0.1
13 SMsMGQFRWMKDPRQTYREN 0.1
14 TMsMGQFRWMKDPRQKYREN 0.11
15 TMsMGNFRWMKDPRDKYREN 0.11
16 SMsMGQFRWMRDPRDSYREN 0.11
17 TMsMGQFRWMRDPRDKYREN 0.11
18 SMsMGNFRWMRDPRQKYREN 0.12
19 SMsMGNFRWMKDPRDSYREN 0.12
20 SMsMGQFRWMKDPRQSYREN 0.12
21 SMsMGQFRWMKDRRDKYREN 0.13
22 TMsMGQFRWMKDPRDTYREN 0.13
23 SMsMGNFRWMRDPRDTYREN 0.14
24 SMsMGQFRWMRDPRQTYREN 0.14
25 SMsMGNFRWMKDPRQTYREN 0.14
26 TMsMGNFRWMRDPRDKYREN 0.15
27 TMsMGQFRWMRDPRQKYREN 0.15
28 TMsMGNFRWMKDPRQKYREN 0.15
29 SMsMGQFRMMKDPRDKYREN 0.15
30 TMsMGQFRWMKDPRDSYREN 0.15
31 SMsMGQFRWMKDPRDKYRQN 0.16
32 SMsMGNFRWMKDPRQSYREN 0.16
33 SMsMGQFRWMRDRRDKYREN 0.16
34 TMsMGQFRWMRDPRDTYREN 0.16
35 SMsMGQFyWMKDPRDKYREN 0.16
36 SMsMGQFRWMRDPRQSYREN 0.16
37 SMsMGNFRWMRDPRDSYREN 0.16
38 TMsMGNFRWMKDPRDTYREN 0.17
39 TMsMGQFRWMKDPRQTYREN 0.17
40 SMsMGQFRWMKDRRQKYREN 0.17
41 SMsMGNFRWMKDRRDKYREN 0.17
42 SMsMGQFRWMKDPRFKYREN 0.17
43 SMsMGQFRMMRDPRDKYREN 0.18
44 TMsMGQFRWMRDPRDSYREN 0.18
45 SMsMGFFRWMKDPRDKYREN 0.18
46 SMsMGNFRWMRDPRQTYREN 0.18
47 SMsMGQFRWMKGPRDKYREN 0.19
48 SMsMGNFRMMKDPRDKYREN 0.19
49 SMsMGQFRWMKDRRDTYREN 0.19
50 TMsMGNFRWMRDPRQKYREN 0.19
51 SMsMGQFRMMKDPRQKYREN 0.19
52 TMsMGQFRWMKDPRQSYREN 0.19
53 SMsMGQFyWMRDPRDKYREN 0.19
54 TMsMGNFRWMKDPRDSYREN 0.19
55 SMsMGNFyWMKDPRDKYREN 0.2
56 TMsMGQFRWMKDRRDKYREN 0.2
57 SMsMGQFRWMRDPRDKYRQN 0.2
58 SMsMGQFyWMKDPRQKYREN 0.2
59 SMsMGNFRWMRDPRQSYREN 0.2
60 SMsMGNFRWMKDPRDKYRQN 0.2
61 SMsMGQFRWMKDPRQKYRQN 0.2
62 RMsMGQFRWMKDPRDKYREN 0.2
63 SMsMGQFRWMKDRRDSYREN 0.21
64 TMsMGNFRWMRDPRDTYREN 0.21
65 SMsMGQFRWMRDRRQKYREN 0.21
66 SMsMGNFRWMRDRRDKYREN 0.21
67 SMsMGQFRWMRDPRFKYREN 0.21
68 SMsMGNFRWMKDRRQKYREN 0.21
69 SMsMGQFRWMKDKRDKYREN 0.21
70 TMsMGNFRWMKDPRQTYREN 0.21
71 TMsMGQFRWMRDPRQTYREN 0.21
72 SMsMGQFRMMKDPRDTYREN 0.21
73 TMsMGQFRMMKDPRDKYREN 0.22
74 SMsMGQFRWMRDRRDTYREN 0.22
75 SMsMGQFyWMKDPRDTYREN 0.22
76 SMsMGNFRWMKDPRFKYREN 0.22
77 SMsMGQFRMMKDPRDSYREN 0.22
78 SMsMGQFRWMKDPRDTYRQN 0.22
79 SMsMGFFRWMRDPRDKYREN 0.22
80 SMsMGFFRWMKDPRQKYREN 0.22
81 TMsMGQFRWMRDRRDKYREN 0.23
82 SMsMGQFRWMKDPRFTYREN 0.23
83 SMsMGNFRWMKDRRDTYREN 0.23
84 TMsMGNFRWMKDPRQSYREN 0.23
85 SMsMGQFRWMRGPRDKYREN 0.23
86 SMsMGQFyWMRDPRQKYREN 0.23
87 SMsMGQFRWMKDRRQTYREN 0.23
88 TMsMGQFRWMRDPRQSYREN 0.23
89 TMsMGQFyWMKDPRDKYREN 0.23
90 SMsMGNFRMMKDPRQKYREN 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SMsMGNFRWMKDPRQKYREN

2.34

-29.83

-27.49
2 SMsMGNFRWMRDPRQKYREN

2.1

-28.63

-26.53
3 SMsMGQFRWMRDPRQKYREN

2.82

-28.97

-26.15
4 SMsMGNFRWMKDPRQTYREN

2.26

-28.39

-26.13
5 SMsMGQFRWMRDPRQTYREN

2.61

-28.53

-25.92
6 TMsMGNFRWMKDPRQKYREN

2.13

-27.93

-25.8
7 SMsMGNFRWMRDPRDTYREN

2.78

-28.01

-25.23
8 SMsMGQFRWMKDPRDKYREN

2.2

-27.26

-25.06
9 SMsMGQFRWMKDPRQKYREN

2.51

-27.02

-24.51
10 SMsMGNFRWMKDPRDTYREN

2.21

-26.34

-24.13
11 TMsMGNFRWMRDPRDKYREN

3.41

-27.43

-24.02
12 SMsMGQFRMMKDPRDKYREN

2.84

-26.68

-23.84
13 SMsMGQFRWMRDPRDTYREN

1.99

-25.82

-23.83
14 SMsMGNFRWMKDPRDKYREN

2.13

-25.87

-23.74
15 TMsMGNFRWMKDPRDKYREN

1.93

-25.42

-23.49
16 TMsMGQFRWMKDPRQKYREN

2.31

-25.68

-23.37
17 TMsMGQFRWMRDPRQKYREN

3.65

-27.0

-23.35
18 SMsMGQFRWMKDPRQSYREN

2.59

-25.92

-23.33
19 SMsMGQFRWMRDPRDSYREN

2.54

-25.78

-23.24
20 SMsMGQFRWMKDPRQTYREN

2.74

-25.8

-23.06
21 TMsMGQFRWMKDPRDSYREN

2.74

-25.66

-22.92
22 TMsMGQFRWMRDPRDKYREN

2.86

-25.62

-22.76
23 SMsMGQFRWMRDPRDKYREN

3.82

-26.51

-22.69
24 TMsMGQFRWMKDPRDTYREN

2.62

-25.21

-22.59
25 SMsMGQFRWMKDPRDSYREN

2.81

-25.28

-22.47
26 SMsMGQFRWMKDPRDTYREN

2.17

-24.55

-22.38
27 SMsMGNFRWMRDPRDKYREN

2.43

-24.81

-22.38
28 TMsMGQFRWMKDPRDKYREN

4.46

-26.4

-21.94
29 SMsMGNFRWMKDPRDSYREN

2.74

-24.63

-21.89
30 SMsMGQFRWMKDRRDKYREN

2.2

-23.96

-21.76

 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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