Predicted ligand sequences


ADAN-name: 1M1E3.PDB (view again the scoring matrix)

PDB name: [1M1E.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT I D Q G A E D V V M A F S R S E T E D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19
poly-Ala
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 4.181 ΔGbinding -19.894
TOTAL
 -15.713
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -8.900 Torsional clash 1.092
Van der Waals -16.267 Backbone clash 0.680
Electrostatics -12.212 Helix dipole -0.163
Solvation Polar 27.770 Water bridges -0.508
Solvation Hyd -18.132 Disulfide 0.000
VdW clashes 2.320 Electrost. Kon -5.776
Entropy sc 5.919 Part.cov.bonds 0.000
Entropy mc

9.785

 ΔGstability

-97.669
       

Predicted ligand sequences for template [1M1E3.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).
 
  1M1E3.PDB  

(data)
# Predicted Sequences Value Calculate
1 QyVsDyDERRNFWRDEyGM 0.0
2 QyVsDyDERRNFWRDEyGK 0.02
3 QGVsDyDERRNFWRDEyGM 0.03
4 QyVsDyDERRNFMRDEyGM 0.04
5 QyVsDyDERMNFWRDEyGM 0.04
6 QGVsDyDERRNFWRDEyGK 0.05
7 QyVsDyDERRNFMRDEyGK 0.06
8 QyVsDyDERINFWRDEyGM 0.06
9 QyVsDyDERMNFWRDEyGK 0.06
10 QGVsDyDERMNFWRDEyGM 0.07
11 QGVsDyDERRNFMRDEyGM 0.07
12 QyVsDsDERRNFWRDEyGM 0.08
13 QyVsDyDERRNFWRDEpGM 0.08
14 QyVsDyDERINFWRDEyGK 0.08
15 QyVsDyDERMNFMRDEyGM 0.08
16 QGVsDyDERMNFWRDEyGK 0.09
17 QGVsDyDERRNFMRDEyGK 0.09
18 QGVsDyDERINFWRDEyGM 0.09
19 QyVsDsDERRNFWRDEyGK 0.1
20 QyVsDyDERINFMRDEyGM 0.1
21 QyVsDyDEHRNFWRDEyGM 0.1
22 QyVsDyDERMNFMRDEyGK 0.1
23 QyVsDyDERRNFWRDEpGK 0.1
24 QGVsDsDERRNFWRDEyGM 0.11
25 QGVsDyDERINFWRDEyGK 0.11
26 QGVsDyDERRNFWRDEpGM 0.11
27 QGVsDyDERMNFMRDEyGM 0.11
28 QGVsDsDERRNFWRDEyGK 0.12
29 QyVsDyDERRNFMRDEpGM 0.12
30 QyVsDyDERINFMRDEyGK 0.12
31 QyVsDsDERRNFMRDEyGM 0.12
32 QyVsDyDEHRNFWRDEyGK 0.12
33 QyVsDsDERMNFWRDEyGM 0.12
34 QyVsDyDERMNFWRDEpGM 0.12
35 QGVsDyDERINFMRDEyGM 0.13
36 QGVsDyDERMNFMRDEyGK 0.13
37 QGVsDyDERRNFWRDEpGK 0.13
38 QyVsDyDERRNFWRDEWGM 0.13
39 QGVsDyDEHRNFWRDEyGM 0.13
40 QyVsDyDEHRNFMRDEyGM 0.14
41 QyVsDyDENRNFWRDEyGM 0.14
42 QyVsDyDERRNFMRDEpGK 0.14
43 QyVsDyDERINFWRDEpGM 0.14
44 QyVsDsDERRNFMRDEyGK 0.14
45 QyVsDsDERMNFWRDEyGK 0.14
46 QyVsDyDERMNFWRDEpGK 0.14
47 QyVsDDDERRNFWRDEyGM 0.14
48 QyVsDsDERINFWRDEyGM 0.14
49 QyIsDyDERRNFWRDEyGM 0.14
50 QGVsDyDERINFMRDEyGK 0.15
51 QyVsDyDEHMNFWRDEyGM 0.15
52 QGVsDsDERMNFWRDEyGM 0.15
53 QGVsDsDERRNFMRDEyGM 0.15
54 QGVsDyDERMNFWRDEpGM 0.15
55 QGVsDyDERRNFMRDEpGM 0.15
56 QGVsDyDEHRNFWRDEyGK 0.15
57 QyVsDyDERRNFWRDEWGK 0.15
58 QGVsDyDERRNFWRDEWGM 0.16
59 QyVsDsDERRNFWRDEpGM 0.16
60 QyVsDyDEHRNFMRDEyGK 0.16
61 QyVsDDDERRNFWRDEyGK 0.16
62 QyVsDyDERRNFFRDEyGM 0.16
63 QyVsDyDEHMNFWRDEyGK 0.16
64 QyVsDyDENRNFWRDEyGK 0.16
65 QyVsDyDERINFWRDEpGK 0.16
66 QGVsDsDERRNFMRDEyGK 0.16
67 QyVsDsDERMNFMRDEyGM 0.16
68 QyVsDyDERMNFMRDEpGM 0.16
69 QyVsDsDERINFWRDEyGK 0.16
70 QyIsDyDERRNFWRDEyGK 0.16
71 QyVsDsDERRNFWRDEpGK 0.17
72 QyVsDyDERRNFWRDEyGI 0.17
73 QGVsDyDEHMNFWRDEyGM 0.17
74 QyVsDyDERRNFMRDEWGM 0.17
75 QGVsDsDERMNFWRDEyGK 0.17
76 QGVsDyDERMNFWRDEpGK 0.17
77 QGVsDsDERINFWRDEyGM 0.17
78 QyVsDyDERMNFWRDEWGM 0.17
79 QGVsDyDERRNFMRDEpGK 0.17
80 QGVsDyDENRNFWRDEyGM 0.17
81 QGVsDyDERINFWRDEpGM 0.17
82 QGVsDDDERRNFWRDEyGM 0.17
83 QGVsDyDEHRNFMRDEyGM 0.17
84 QGIsDyDERRNFWRDEyGM 0.17
85 QyVsDyDEHINFWRDEyGM 0.17
86 QGVsDyDERRNFWRDEWGK 0.18
87 QyVsDsDEHRNFWRDEyGM 0.18
88 QyVsDyDENMNFWRDEyGM 0.18
89 QyVsDyDERINFMRDEpGM 0.18
90 QyVsDyDERRNFFRDEyGK 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 QyVsDyDERINFWRDEyGK

5.96

-29.86

-23.9
2 QyVsDyDERRNFMRDEyGM

6.32

-29.89

-23.57
3 QGVsDyDERINFWRDEyGM

5.22

-28.73

-23.51
4 QGVsDsDERRNFWRDEyGM

5.22

-28.71

-23.49
5 QGVsDyDERMNFMRDEyGM

5.56

-28.68

-23.12
6 QyVsDyDERINFWRDEyGM

6.2

-29.09

-22.89
7 QGVsDsDERRNFWRDEyGK

5.58

-28.35

-22.77
8 QyVsDyDERRNFWRDEpGK

5.54

-28.27

-22.73
9 QyVsDyDERRNFWRDEyGK

5.55

-28.09

-22.54
10 QyVsDsDERRNFWRDEyGM

5.38

-27.89

-22.51
11 QyVsDyDERRNFWRDEyGM

6.82

-29.27

-22.45
12 QyVsDyDERINFMRDEyGM

6.19

-28.56

-22.37
13 QyVsDyDERRNFMRDEpGM

5.8

-28.01

-22.21
14 QGVsDyDERMNFWRDEyGM

5.79

-27.84

-22.05
15 QyVsDyDERRNFWRDEpGM

6.39

-28.29

-21.9
16 QyVsDsDERRNFWRDEyGK

4.75

-26.13

-21.38
17 QGVsDyDERRNFMRDEyGM

5.89

-27.25

-21.36
18 QyVsDyDERMNFMRDEyGM

7.95

-29.26

-21.31
19 QyVsDyDERRNFMRDEyGK

5.54

-26.58

-21.04
20 QGVsDyDERRNFWRDEyGM

5.44

-26.46

-21.02
21 QyVsDyDERMNFWRDEyGK

6.87

-27.76

-20.89
22 QGVsDyDERINFWRDEyGK

6.24

-27.04

-20.8
23 QGVsDyDERMNFWRDEyGK

5.62

-26.35

-20.73
24 QGVsDyDERRNFMRDEyGK

5.39

-26.06

-20.67
25 QyVsDyDERINFMRDEyGK

6.45

-27.06

-20.61
26 QyVsDyDERMNFWRDEyGM

6.68

-27.21

-20.53
27 QGVsDyDERRNFWRDEpGM

5.36

-25.77

-20.41
28 QyVsDyDEHRNFWRDEyGM

5.8

-26.07

-20.27
29 QGVsDyDERRNFWRDEyGK

5.1

-25.02

-19.92
30 QyVsDyDERMNFMRDEyGK

6.21

-25.07

-18.86

 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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