Predicted ligand sequences


ADAN-name: 1JDH2.PDB (view again the scoring matrix)

PDB name: [1JDH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L G A N D E L I S F K D E G E Q E E K S
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
G
A
A
A
A
 A A A
A
A
A
 A
G
 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 3.080 ΔGbinding -31.937
TOTAL
 -28.857
Backbone Hb -7.200 Cis_bond 0.000
Sidechain Hb -8.850 Torsional clash 1.411
Van der Waals -17.058 Backbone clash 0.318
Electrostatics -14.978 Helix dipole 0.148
Solvation Polar 27.642 Water bridges -1.332
Solvation Hyd -19.715 Disulfide 0.000
VdW clashes 0.483 Electrost. Kon -6.200
Entropy sc 8.395 Part.cov.bonds 0.000
Entropy mc

5.318

 ΔGstability

-138.397
       

Predicted ligand sequences for template [1JDH2.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).
 
  1JDH2.PDB  

(data)
# Predicted Sequences Value Calculate
1 PGMsEEKIRWyQYCWSWEDF 0.0
2 PGMsEEKIRWyNYCWSWEDF 0.01
3 PGMsEEKIRWyQYCHSWEDF 0.01
4 PGMsEEKIRWyQYCWSWEDy 0.03
5 PGMsEEKIRWyQYCWCWEDF 0.03
6 PGMsEEKIRWyNYCHSWEDF 0.03
7 PGMsEEKIRWyQYCWSWEpF 0.03
8 PGMsEEKIRWyNYCWSWEDy 0.04
9 PGMsEEKIRWyQYCWSWEDY 0.04
10 PGMsEEKIRWyQYCHCWEDF 0.04
11 PGMsEEKIRWyNYCWCWEDF 0.04
12 PGMsEEKIRWyQYCHSWEpF 0.04
13 PGMsEEKIRWyQYCHSWEDy 0.04
14 PGMsEEKIRWyNYCWSWEpF 0.04
15 PGMsEEKIRWyNYCWSWEDY 0.05
16 PGMsEEKIRWyNYCHSWEpF 0.05
17 PGMsEEKIRWyQYCHSWEDY 0.05
18 PGMsEEKIRWyQYCWCWEpF 0.06
19 PGMsEEKIRWyQYCWCWEDy 0.06
20 PGMsEEKIRWyNYCHSWEDy 0.06
21 PGMsEEKIRWyNYCHCWEDF 0.06
22 PGMsEEKIRWyQYCWSWEpy 0.06
23 PGMsEEKIRWyQYCHCWEpF 0.07
24 PGMsEEKIRWyQYCySWEDF 0.07
25 PGMsEEKIRWyQYCWCWEDY 0.07
26 PGMsEEKIRWyQYCHSWEpy 0.07
27 PGMsEEKIRWyQYCHCWEDy 0.07
28 PGMsEEKIRWyNYCWCWEDy 0.07
29 PGMsEEKIRWyNYCWCWEpF 0.07
30 PGMsEEKIRWyNYCHSWEDY 0.07
31 PGMsEEKIRWRQYCWSWEDF 0.07
32 PGMsEEKIRWyQYCWSWEpY 0.07
33 PGMsEEKIRWyNYCWSWEpy 0.07
34 PGMsEEKIRWyNYCHCWEpF 0.08
35 PGMsEEKIRWRQYCHSWEDF 0.08
36 PGMsEEKIRWyQYCHSWEpY 0.08
37 PGMsEEKIRWyQYCHCWEDY 0.08
38 PGMsEEKIRWyNYCHSWEpy 0.08
39 PGMsEEKIRWyNYCWSWEpY 0.08
40 PGMsEERIRWyQYCWSWEDF 0.08
41 PGMsEELIRWyQYCWSWEDF 0.09
42 PGMsEERIRWyQYCHSWEDF 0.09
43 PGMsEEKIRWyNYCHCWEDy 0.09
44 PGMsEEKIRWyNYCySWEDF 0.09
45 PGMsEEKIRWyQYCWCWEpy 0.09
46 PGMsEEKIRWyNYCWCWEDY 0.09
47 PGMsEEKIRWyNYCHSWEpY 0.09
48 PGMsEEKIRWRNYCWSWEDF 0.09
49 PGMsEEKIRWyQYCySWEpF 0.1
50 PGMsEEKIRWyNYCWCWEpy 0.1
51 PGMsEEKIRWRNYCHSWEDF 0.1
52 PGMsEERIRWyNYCWSWEDF 0.1
53 PGMsEELIRWyNYCWSWEDF 0.1
54 PGMsEEKIRWyNYCHCWEDY 0.1
55 PGMsEEKIRWyQYCySWEDy 0.1
56 PGMsEEKIRWyQYCWCWEpY 0.1
57 PGMsEEKIRWyQYCHCWEpy 0.1
58 PGMsEEKIRWRQYCWSWEpF 0.1
59 PGMsEEKIRWRQYCWSWEDy 0.1
60 PGMsEELIRWyQYCHSWEDF 0.1
61 PGMsEEKIRWyDYCWSWEDF 0.1
62 PGMsEEKIRWyQYCHCWEpY 0.11
63 PGMsEEKIRWyNYCWCWEpY 0.11
64 PGMsEERIRWyNYCHSWEDF 0.11
65 PGMsEERIRWyQYCWSWEDy 0.11
66 PGMsEEKIRWyQYCyCWEDF 0.11
67 PGMsEEKIRWRQYCHSWEpF 0.11
68 PGMsEEKIRWyQYCySWEDY 0.11
69 PGMsEEKIRWRQYCHSWEDy 0.11
70 PGMsEERIRWyQYCWCWEDF 0.11
71 PGMsEEKIRWyDYCHSWEDF 0.11
72 PGMsEELIRWyNYCHSWEDF 0.11
73 PGMsEERIRWyQYCWSWEpF 0.11
74 PGMsEELIRWyQYCWSWEpF 0.11
75 PGMsEEKIRWyNYCHCWEpy 0.11
76 PGMsEEKIRWRQYCWSWEDY 0.11
77 PGMsEEKIRWRNYCWSWEpF 0.11
78 PGMsEEKIRWyNYCySWEpF 0.11
79 PGMsEEKIRWRQYCWCWEDF 0.11
80 PGMsEEKIRWRQYCHCWEDF 0.12
81 PGMsEERIRWyNYCWSWEpF 0.12
82 PGMsEEKIRWyNYCyCWEDF 0.12
83 PGMsEELIRWyQYCWSWEDy 0.12
84 PGMsEERIRWyQYCHSWEDy 0.12
85 PGMsEEKIRWyDYCWSWEpF 0.12
86 PGMsEEKIRWyNYCySWEDy 0.12
87 PGMsEERIRWyQYCHSWEpF 0.12
88 PGMsEEKIRWyNYCHCWEpY 0.12
89 PGMsEEKIRWRNYCHSWEpF 0.12
90 PGMsEELIRWyQYCWCWEDF 0.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 PGMsEEKIRWyQYCHSWEpF

3.31

-41.14

-37.83
2 PGMsEEKIRWyNYCHCWEDF

3.41

-41.01

-37.6
3 PGMsEEKIRWyQYCHCWEDF

3.65

-40.32

-36.67
4 PGMsEEKIRWyNYCWSWEDy

3.39

-39.66

-36.27
5 PGMsEEKIRWyQYCWCWEDF

3.59

-39.55

-35.96
6 PGMsEEKIRWyNYCHSWEpF

5.0

-40.52

-35.52
7 PGMsEEKIRWyQYCWSWEpF

3.65

-38.28

-34.63
8 PGMsEEKIRWyNYCWSWEpF

5.8

-40.05

-34.25
9 PGMsEEKIRWyQYCySWEDF

3.84

-37.94

-34.1
10 PGMsEEKIRWyQYCWSWEDF

3.43

-37.44

-34.01
11 PGMsEEKIRWyQYCWSWEDy

3.26

-37.14

-33.88
12 PGMsEEKIRWyQYCHSWEDF

4.4

-38.25

-33.85
13 PGMsEEKIRWyNYCWCWEDF

3.36

-37.14

-33.78
14 PGMsEEKIRWyQYCWCWEDY

4.87

-38.58

-33.71
15 PGMsEEKIRWyQYCHSWEDy

3.44

-37.06

-33.62
16 PGMsEEKIRWyQYCHSWEDY

3.32

-35.99

-32.67
17 PGMsEEKIRWyQYCWSWEDY

3.7

-36.15

-32.45
18 PGMsEEKIRWyQYCHCWEpF

4.11

-36.38

-32.27
19 PGMsEEKIRWyNYCHSWEDY

4.27

-36.11

-31.84
20 PGMsEEKIRWyQYCWCWEDy

3.89

-35.58

-31.69
21 PGMsEEKIRWyNYCHSWEDy

4.24

-35.18

-30.94
22 PGMsEEKIRWyNYCHSWEDF

3.35

-34.24

-30.89
23 PGMsEEKIRWyQYCHCWEDy

3.29

-34.01

-30.72
24 PGMsEEKIRWyNYCWSWEDF

3.91

-34.41

-30.5
25 PGMsEEKIRWyNYCWCWEDy

3.31

-33.66

-30.35
26 PGMsEEKIRWyQYCWSWEpy

8.17

-37.03

-28.86
27 PGMsEEKIRWyQYCHSWEpy

8.11

-36.2

-28.09
28 PGMsEEKIRWyNYCWCWEpF

7.14

-34.28

-27.14
29 PGMsEEKIRWyNYCWSWEDY

4.06

-30.26

-26.2
30 PGMsEEKIRWyQYCWCWEpF

7.21

-31.85

-24.64

 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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