Predicted ligand sequences


ADAN-name: 1KSW3.PDB (view again the scoring matrix)

PDB name: [1KSW.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K P Q T Q G L A K D
position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
A
A
A
 A
G
 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 4.569 ΔGbinding -8.070
TOTAL
 -3.501
Backbone Hb -1.780 Cis_bond 0.000
Sidechain Hb -3.340 Torsional clash 0.100
Van der Waals -8.090 Backbone clash 0.290
Electrostatics -0.360 Helix dipole 0.000
Solvation Polar 8.650 Water bridges -0.670
Solvation Hyd -10.600 Disulfide 0.000
VdW clashes 0.440 Electrost. Kon -0.350
Entropy sc 3.460 Part.cov.bonds 0.000
Entropy mc

4.460

 ΔGstability

26.610
       

Predicted ligand sequences for template [1KSW3.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).
 
  1KSW3.PDB  

(data)
# Predicted Sequences Value Calculate
1 YPAMKGWWYC 0.0
2 YPAMGGWWYC 0.0
3 YPSMKGWWYC 0.02
4 YPSMGGWWYC 0.02
5 YPAMKGWWYI 0.03
6 YPAMGGWWYI 0.03
7 YPVMKGWWYC 0.04
8 YPVMGGWWYC 0.04
9 YPSMKGWWYI 0.05
10 YPSMGGWWYI 0.05
11 YPAMGGWWYR 0.06
12 YPVMKGWWYI 0.07
13 YPVMGGWWYI 0.07
14 YPAMKGWWYR 0.07
15 YPAMNGWWYC 0.08
16 YPSMKGWWYR 0.08
17 YPSMGGWWYR 0.08
18 YPVMGGWWYR 0.1
19 YPSMNGWWYC 0.1
20 YPAMNGWWYI 0.11
21 YPVMKGWWYR 0.11
22 YPVMNGWWYC 0.12
23 YPAMGGFWYC 0.13
24 YPAMKGFWYC 0.13
25 YPAMGGWHYC 0.13
26 YPSMNGWWYI 0.13
27 YPAMKGWHYC 0.13
28 YPAMNGWWYR 0.15
29 YPVMNGWWYI 0.15
30 YPSMKGWHYC 0.15
31 YPSMKGFWYC 0.15
32 YPSMGGFWYC 0.15
33 YPSMGGWHYC 0.15
34 YPAMGGWMYC 0.16
35 YPAMKGWMYC 0.16
36 YPAMGGFWYI 0.16
37 YPAMKGFWYI 0.16
38 YPAMGGWHYI 0.16
39 YPVMKGFWYC 0.17
40 YPVMGGWHYC 0.17
41 YPVMKGWHYC 0.17
42 YPVMGGFWYC 0.17
43 YPSMNGWWYR 0.17
44 YPAMKGWHYI 0.17
45 YPSMKGWMYC 0.18
46 YPSMGGWMYC 0.18
47 YPSMKGFWYI 0.18
48 YPSMGGFWYI 0.18
49 YPSMGGWHYI 0.18
50 YPVMNGWWYR 0.19
51 YPAMGGFWYR 0.19
52 YPAMKGFWYR 0.19
53 YPSMKGWHYI 0.19
54 YPAMGGWHYR 0.19
55 YPAMGGWMYI 0.19
56 YPVMKGFWYI 0.2
57 YPAMKGWMYI 0.2
58 YPVMGGWHYI 0.2
59 YPVMKGWMYC 0.2
60 YPVMGGWMYC 0.2
61 YPVMGGFWYI 0.2
62 YPAMKGWHYR 0.2
63 YPAMNGFWYC 0.21
64 YPSMGGWMYI 0.21
65 YPVMKGWHYI 0.21
66 YPAMNGWHYC 0.21
67 YPSMKGFWYR 0.21
68 YPSMGGFWYR 0.21
69 YPSMGGWHYR 0.21
70 YPSMKGWMYI 0.22
71 YPAMGGWMYR 0.22
72 YPSMKGWHYR 0.22
73 YPVMKGFWYR 0.23
74 YPAMKGWMYR 0.23
75 YPVMGGWHYR 0.23
76 YPSMNGFWYC 0.23
77 YPVMGGWMYI 0.23
78 YPSMNGWHYC 0.23
79 YPVMGGFWYR 0.23
80 YPAMNGFWYI 0.24
81 YPVMKGWMYI 0.24
82 YPSMGGWMYR 0.24
83 YPAMNGWMYC 0.24
84 YPVMKGWHYR 0.24
85 YPVMNGWHYC 0.25
86 YPSMKGWMYR 0.25
87 YPAMNGWHYI 0.25
88 YPVMNGFWYC 0.25
89 YPSMNGWMYC 0.26
90 YPAMKGFHYC 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YPSMKGWWYR

3.92

-15.15

-11.23
2 YPVMNGWWYC

3.92

-14.56

-10.64
3 YPVMKGWWYR

4.19

-14.83

-10.64
4 YPSMKGWWYI

4.02

-14.58

-10.56
5 YPAMKGWWYC

3.88

-14.25

-10.37
6 YPVMGGWWYI

3.91

-14.06

-10.15
7 YPVMKGWWYC

3.89

-13.88

-9.99
8 YPAMKGWWYR

3.79

-13.69

-9.9
9 YPAMGGWWYC

3.88

-13.76

-9.88
10 YPAMKGFWYC

3.78

-13.6

-9.82
11 YPSMKGWHYC

3.78

-13.59

-9.81
12 YPVMNGWWYI

4.24

-14.01

-9.77
13 YPSMKGWWYC

3.85

-13.54

-9.69
14 YPSMNGWWYC

3.74

-13.1

-9.36
15 YPAMGGWHYC

4.46

-13.81

-9.35
16 YPAMNGWWYR

3.99

-13.28

-9.29
17 YPAMGGFWYC

3.82

-12.88

-9.06
18 YPAMGGWWYI

4.0

-13.06

-9.06
19 YPSMGGWWYC

3.87

-12.91

-9.04
20 YPVMKGWWYI

5.23

-14.24

-9.01
21 YPAMNGWWYI

4.49

-13.0

-8.51
22 YPAMKGWHYC

6.54

-15.03

-8.49
23 YPAMKGWWYI

4.61

-13.05

-8.44
24 YPVMGGWWYC

3.7

-12.07

-8.37
25 YPAMNGWWYC

5.95

-14.04

-8.09
26 YPSMGGWWYR

4.92

-12.61

-7.69
27 YPAMGGWWYR

5.07

-12.64

-7.57
28 YPSMGGWWYI

3.83

-11.39

-7.56
29 YPVMGGWWYR

6.27

-12.21

-5.94
30 YPSMNGWWYI

5.93

-11.47

-5.54

 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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