Predicted ligand sequences


ADAN-name: 1XHM2.PDB (view again the scoring matrix)

PDB name: [1XHM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S I G K A F K I L G Y P D
position 1 2 3 4 5 6 7 8 9 10 11 12 13
poly-Ala
A
 A
G
A
A
 A
A
A
A
G
 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 6.413 ΔGbinding -20.453
TOTAL
 -14.040
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -7.037 Torsional clash 0.594
Van der Waals -9.813 Backbone clash 0.840
Electrostatics -5.228 Helix dipole -0.163
Solvation Polar 12.381 Water bridges 0.011
Solvation Hyd -14.790 Disulfide 0.000
VdW clashes 0.815 Electrost. Kon -3.251
Entropy sc 6.183 Part.cov.bonds 0.000
Entropy mc

1.120

 ΔGstability

85.465
       

Predicted ligand sequences for template [1XHM2.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).
 
  1XHM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFHRCFRRIGQPP 0.0
2 RYHRCFRRIGQPP 0.06
3 RFHRCFRRIGQPy 0.06
4 RyHRCFRRIGQPP 0.07
5 RFHRCyRRIGQPP 0.07
6 RFHRCFRRIGQPF 0.08
7 RFHRCFRRYGQPP 0.11
8 RYHRCFRRIGQPy 0.12
9 RYHRCyRRIGQPP 0.13
10 RyHRCFRRIGQPy 0.13
11 RFHRCyRRIGQPy 0.13
12 RYHRCFRRIGQPF 0.14
13 RyHRCyRRIGQPP 0.14
14 RyHRCFRRIGQPF 0.15
15 RFHRCyRRIGQPF 0.15
16 RYHRCFRRYGQPP 0.17
17 RFHRCFRRYGQPy 0.17
18 RyHRCFRRYGQPP 0.18
19 RFHRCyRRYGQPP 0.18
20 RYHRCyRRIGQPy 0.19
21 RFHRCFRRYGQPF 0.19
22 RyHRCyRRIGQPy 0.2
23 RYHRCyRRIGQPF 0.21
24 RFHKCFRRIGQPP 0.22
25 RyHRCyRRIGQPF 0.22
26 RFHRCYRRIGQPP 0.23
27 RYHRCFRRYGQPy 0.23
28 RyHRCFRRYGQPy 0.24
29 RFHRCyRRYGQPy 0.24
30 RyHRCyRRYGQPP 0.25
31 RYHRCFRRYGQPF 0.25
32 RYHRCyRRYGQPP 0.25
33 RyHRCFRRYGQPF 0.26
34 RFHRCyRRYGQPF 0.26
35 RFHKCFRRIGQPy 0.27
36 RYHKCFRRIGQPP 0.28
37 RFHKCyRRIGQPP 0.29
38 RyHKCFRRIGQPP 0.29
39 RFHRCYRRIGQPy 0.29
40 RYHRCYRRIGQPP 0.29
41 RFHRCFRRIGQsP 0.29
42 RFHKCFRRIGQPF 0.29
43 RFHRCYRRIGQPF 0.3
44 RyHRCYRRIGQPP 0.3
45 RYHRCyRRYGQPy 0.3
46 RyHRCyRRYGQPy 0.31
47 RYHRCyRRYGQPF 0.32
48 RFHRCFRRIGRPP 0.33
49 RyHRCyRRYGQPF 0.33
50 RFHKCFRRYGQPP 0.33
51 RFHRCYRRYGQPP 0.34
52 RFHKCyRRIGQPy 0.34
53 RYHKCFRRIGQPy 0.34
54 RyHKCFRRIGQPy 0.35
55 RFHRCFRRIGQsy 0.35
56 RYHRCFRRIGQsP 0.35
57 RYHKCyRRIGQPP 0.35
58 RYHRCYRRIGQPy 0.35
59 RFHRCyRRIGQsP 0.36
60 RyHKCyRRIGQPP 0.36
61 RFHKCyRRIGQPF 0.36
62 RyHKCFRRIGQPF 0.36
63 RyHRCFRRIGQsP 0.36
64 RyHRCYRRIGQPy 0.36
65 RYHKCFRRIGQPF 0.36
66 RFHRCFRRIGQsF 0.37
67 RFHRCFRRIGMPP 0.37
68 RYHRCYRRIGQPF 0.37
69 RyHRCYRRIGQPF 0.38
70 RFHRCFRRIGRPy 0.39
71 RYHKCFRRYGQPP 0.39
72 RFHRCFRRIGQDP 0.39
73 RFHKCFRRYGQPy 0.39
74 RFHRCYRRYGQPy 0.4
75 RYHRCFRRIGRPP 0.4
76 RFHKCyRRYGQPP 0.4
77 RYHRCYRRYGQPP 0.4
78 RyHKCFRRYGQPP 0.4
79 RFHRCyRRIGRPP 0.4
80 RFHRCFRRYGQsP 0.4
81 RFHKCFRRYGQPF 0.4
82 RyHRCYRRYGQPP 0.41
83 RFHRCFRRIGRPF 0.41
84 RYHRCFRRIGQsy 0.41
85 RYHKCyRRIGQPy 0.41
86 RyHRCFRRIGRPP 0.41
87 RFHRCyRRIGQsy 0.42
88 RyHKCyRRIGQPy 0.42
89 RyHRCFRRIGQsy 0.42
90 RYHRCyRRIGQsP 0.42
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RYHRCFRRIGQPy

6.46

-19.28

-12.82
2 RFHRCFRRYGQPP

6.27

-18.89

-12.62
3 RFHKCFRRIGQPP

6.24

-18.84

-12.6
4 RFHRCFRRYGQPF

6.48

-19.06

-12.58
5 RYHRCFRRIGQPP

6.33

-18.8

-12.47
6 RyHRCFRRIGQPP

6.27

-18.74

-12.47
7 RFHRCyRRIGQPy

6.25

-18.71

-12.46
8 RyHRCyRRIGQPy

6.26

-18.68

-12.42
9 RyHRCyRRYGQPP

6.26

-18.27

-12.01
10 RYHRCFRRIGQPF

6.72

-18.48

-11.76
11 RFHRCFRRIGQPF

6.26

-17.88

-11.62
12 RyHRCyRRIGQPF

6.88

-18.46

-11.58
13 RYHRCFRRYGQPP

6.64

-18.04

-11.4
14 RyHRCFRRYGQPP

7.66

-18.84

-11.18
15 RyHRCFRRIGQPy

7.7

-18.81

-11.11
16 RYHRCFRRYGQPy

7.68

-18.68

-11.0
17 RFHRCFRRIGQPy

7.4

-18.34

-10.94
18 RFHRCyRRYGQPP

7.8

-18.63

-10.83
19 RFHRCyRRIGQPP

7.94

-18.09

-10.15
20 RyHRCyRRIGQPP

7.33

-17.43

-10.1
21 RyHRCFRRIGQPF

7.49

-17.46

-9.97
22 RFHRCyRRIGQPF

7.33

-17.28

-9.95
23 RYHRCyRRIGQPy

7.43

-17.34

-9.91
24 RFHRCyRRYGQPy

7.48

-17.37

-9.89
25 RFHRCYRRIGQPP

7.32

-17.1

-9.78
26 RYHRCyRRIGQPF

7.49

-17.27

-9.78
27 RYHRCyRRIGQPP

7.67

-16.72

-9.05
28 RFHRCFRRIGQPP

7.66

-16.45

-8.79
29 RyHRCFRRYGQPy

6.92

-14.45

-7.53
30 RFHRCFRRYGQPy

6.91

-14.39

-7.48

 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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