Predicted ligand sequences


ADAN-name: 1Y982.PDB (view again the scoring matrix)

PDB name: [1Y98.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P T R V S s P V F G A T
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala
A
 A
A
 A A
A
 A
A
A
 G 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 4.934 ΔGbinding -12.242
TOTAL
 -7.308
Backbone Hb -3.688 Cis_bond 0.000
Sidechain Hb -4.487 Torsional clash 0.729
Van der Waals -7.961 Backbone clash 0.178
Electrostatics -1.197 Helix dipole -0.015
Solvation Polar 11.074 Water bridges -0.512
Solvation Hyd -11.254 Disulfide 0.000
VdW clashes 0.374 Electrost. Kon -0.025
Entropy sc 0.903 Part.cov.bonds 0.000
Entropy mc

3.816

 ΔGstability

51.067
       

Predicted ligand sequences for template [1Y982.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).
 
  1Y982.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFWVRFsFFKRR 0.0
2 RFGVRFsFFKRR 0.01
3 RYWVRFsFFKRR 0.03
4 RYGVRFsFFKRR 0.04
5 RFMVRFsFFKRR 0.05
6 RFWVRFsFFRRR 0.07
7 WFWVRFsFFKRR 0.08
8 RFWVRFsFFLRR 0.08
9 RYMVRFsFFKRR 0.08
10 RFGVRFsFFRRR 0.08
11 WFGVRFsFFKRR 0.08
12 RFGVRFsFFLRR 0.09
13 RFWKRFsFFKRR 0.09
14 RYWVRFsFFRRR 0.1
15 RFGKRFsFFKRR 0.1
16 WYGVRFsFFKRR 0.11
17 WYWVRFsFFKRR 0.11
18 RYWVRFsFFLRR 0.11
19 RYGVRFsFFRRR 0.11
20 RFWVRFWFFKRR 0.11
21 RFGVRFWFFKRR 0.11
22 RYWKRFsFFKRR 0.12
23 RYGVRFsFFLRR 0.12
24 RFMVRFsFFRRR 0.12
25 RFWVWFsFFKRR 0.12
26 RFMVRFsFFLRR 0.13
27 WFMVRFsFFKRR 0.13
28 RFGVWFsFFKRR 0.13
29 RYGKRFsFFKRR 0.13
30 RFMKRFsFFKRR 0.14
31 RYWVRFWFFKRR 0.14
32 RYGVRFWFFKRR 0.14
33 RYWVWFsFFKRR 0.15
34 RYMVRFsFFRRR 0.15
35 WFWVRFsFFRRR 0.15
36 WFGVRFsFFRRR 0.15
37 WFGVRFsFFLRR 0.16
38 RYGVWFsFFKRR 0.16
39 RFWKRFsFFRRR 0.16
40 RYMVRFsFFLRR 0.16
41 RFGVRFKFFKRR 0.16
42 RFWVRFKFFKRR 0.16
43 RFMVRFWFFKRR 0.16
44 WFWVRFsFFLRR 0.16
45 WYMVRFsFFKRR 0.16
46 KFWVRFsFFKRR 0.17
47 RFGKRFsFFRRR 0.17
48 RFWKRFsFFLRR 0.17
49 RFMVWFsFFKRR 0.17
50 RYMKRFsFFKRR 0.17
51 WFWKRFsFFKRR 0.17
52 WYWVRFsFFRRR 0.18
53 WFWVRFWFFKRR 0.18
54 RFGVRFWFFRRR 0.18
55 RFWVRFWFFRRR 0.18
56 WYGVRFsFFRRR 0.18
57 RFGKRFsFFLRR 0.18
58 WFGKRFsFFKRR 0.18
59 KFGVRFsFFKRR 0.18
60 RYWVRFKFFKRR 0.19
61 WYWVRFsFFLRR 0.19
62 WFGVRFWFFKRR 0.19
63 RYWKRFsFFRRR 0.19
64 RFWVRFWFFLRR 0.19
65 RFWVWFsFFRRR 0.19
66 RYMVRFWFFKRR 0.19
67 WFMVRFsFFRRR 0.19
68 RYGVRFKFFKRR 0.19
69 RFGVRFWFFLRR 0.19
70 WYGVRFsFFLRR 0.19
71 RFWIRFsFFKRR 0.19
72 RFMVRFKFFKRR 0.2
73 RYGKRFsFFRRR 0.2
74 WFWVWFsFFKRR 0.2
75 RFWVWFsFFLRR 0.2
76 RFGIRFsFFKRR 0.2
77 WYWKRFsFFKRR 0.2
78 RYMVWFsFFKRR 0.2
79 KYWVRFsFFKRR 0.2
80 RFGVWFsFFRRR 0.2
81 RFWKRFWFFKRR 0.2
82 KYGVRFsFFKRR 0.21
83 RYGVRFWFFRRR 0.21
84 WYWVRFWFFKRR 0.21
85 WFGVWFsFFKRR 0.21
86 WYGKRFsFFKRR 0.21
87 RFMKRFsFFRRR 0.21
88 RYWKRFsFFLRR 0.21
89 RYWVRFWFFRRR 0.21
90 RYGKRFsFFLRR 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RFWKRFsFFKRR

5.0

-18.95

-13.95
2 RFWVWFsFFKRR

5.21

-18.84

-13.63
3 RFGVRFWFFKRR

4.92

-18.45

-13.53
4 RYWVRFsFFRRR

4.87

-18.28

-13.41
5 RYMVRFsFFKRR

5.25

-18.54

-13.29
6 RFWVRFWFFKRR

5.24

-18.44

-13.2
7 RFWVRFsFFKRR

5.35

-18.45

-13.1
8 WFMVRFsFFKRR

5.02

-17.67

-12.65
9 WYWVRFsFFKRR

4.86

-17.33

-12.47
10 RFWVRFsFFRRR

5.05

-17.2

-12.15
11 RFGVRFsFFLRR

4.76

-16.77

-12.01
12 RYWVRFsFFLRR

4.55

-16.53

-11.98
13 WFWVRFsFFKRR

4.89

-16.72

-11.83
14 RYGVRFsFFLRR

4.69

-16.49

-11.8
15 RYWVRFsFFKRR

4.88

-16.67

-11.79
16 RFGVRFsFFKRR

4.58

-16.37

-11.79
17 RFGVRFsFFRRR

4.98

-16.71

-11.73
18 RFWVRFsFFLRR

4.9

-16.46

-11.56
19 RFGVWFsFFKRR

5.13

-16.37

-11.24
20 WYGVRFsFFKRR

4.8

-16.02

-11.22
21 RYGKRFsFFKRR

5.04

-15.79

-10.75
22 RYWKRFsFFKRR

4.89

-15.61

-10.72
23 RFGKRFsFFKRR

4.63

-14.73

-10.1
24 RFMVRFsFFLRR

5.84

-15.77

-9.93
25 RFMKRFsFFKRR

5.39

-14.97

-9.58
26 RYGVRFsFFRRR

5.09

-14.47

-9.38
27 RFMVRFsFFKRR

5.94

-14.51

-8.57
28 RYGVRFsFFKRR

4.59

-12.32

-7.73
29 RFMVRFsFFRRR

6.39

-13.67

-7.28
30 WFGVRFsFFKRR

5.46

-12.59

-7.13

 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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