Predicted ligand sequences


ADAN-name: 1T292.PDB (view again the scoring matrix)

PDB name: [1T29.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT I S R S T s P T F N K Q
position 1 2 3 4 5 6 7 8 9 10 11 12
poly-Ala
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 6.710 ΔGbinding -18.288
TOTAL
 -11.578
Backbone Hb -6.000 Cis_bond 0.000
Sidechain Hb -8.962 Torsional clash 0.963
Van der Waals -15.597 Backbone clash 2.233
Electrostatics -3.235 Helix dipole -0.058
Solvation Polar 24.366 Water bridges -0.158
Solvation Hyd -19.508 Disulfide 0.000
VdW clashes 1.786 Electrost. Kon -1.439
Entropy sc 4.272 Part.cov.bonds 0.000
Entropy mc

5.280

 ΔGstability

39.337
       

Predicted ligand sequences for template [1T292.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).
 
  1T292.PDB  

(data)
# Predicted Sequences Value Calculate
1 YVFEyWIKFKSM 0.0
2 YVFNyWIKFKSM 0.03
3 YVQEyWIKFKSM 0.03
4 YVFEyWsKFKSM 0.05
5 YVFGyWIKFKSM 0.05
6 YVQNyWIKFKSM 0.06
7 YVQEyWsKFKSM 0.07
8 YVQGyWIKFKSM 0.08
9 YVFNyWsKFKSM 0.08
10 YVFGyWsKFKSM 0.1
11 YVQNyWsKFKSM 0.11
12 YVQGyWsKFKSM 0.13
13 YVFEyWIVFKSM 0.16
14 YVREyWIKFKSM 0.17
15 YVFNyWIVFKSM 0.19
16 YVQEyWIVFKSM 0.19
17 YIFEyWIKFKSM 0.2
18 YVRNyWIKFKSM 0.2
19 YVFEyWsVFKSM 0.21
20 YVFGyWIVFKSM 0.21
21 YVRGyWIKFKSM 0.22
22 YVREyWsKFKSM 0.22
23 YVQNyWIVFKSM 0.22
24 YIQEyWIKFKSM 0.23
25 YVQEyWsVFKSM 0.23
26 YIFNyWIKFKSM 0.23
27 YVQGyWIVFKSM 0.24
28 YVFNyWsVFKSM 0.24
29 YVFEyWFKFKSM 0.25
30 YIFGyWIKFKSM 0.25
31 YVRNyWsKFKSM 0.25
32 YIFEyWsKFKSM 0.25
33 YVFGyWsVFKSM 0.26
34 YIQNyWIKFKSM 0.26
35 YVRGyWsKFKSM 0.27
36 YVQNyWsVFKSM 0.27
37 YIQEyWsKFKSM 0.27
38 YIFNyWsKFKSM 0.28
39 YIQGyWIKFKSM 0.28
40 YVFNyWFKFKSM 0.28
41 YVQEyWFKFKSM 0.28
42 YVQGyWsVFKSM 0.29
43 YIQNyWsKFKSM 0.3
44 YIFGyWsKFKSM 0.3
45 YVFGyWFKFKSM 0.3
46 YVQNyWFKFKSM 0.31
47 YIQGyWsKFKSM 0.33
48 YVQGyWFKFKSM 0.33
49 YVREyWIVFKSM 0.33
50 YVFEyEIKFKSM 0.34
51 YVFEyWIRFKSM 0.36
52 YVRNyWIVFKSM 0.36
53 YIFEyWIVFKSM 0.36
54 YVFEyWIKFLSM 0.36
55 YVFNyEIKFKSM 0.37
56 YVQEyEIKFKSM 0.37
57 YIREyWIKFKSM 0.37
58 YVRGyWIVFKSM 0.38
59 YVFEyLIKFKSM 0.38
60 YVREyWsVFKSM 0.38
61 YVFEyEsKFKSM 0.39
62 YIFNyWIVFKSM 0.39
63 YVFNyWIKFLSM 0.39
64 YVFGyEIKFKSM 0.39
65 YVQEyWIKFLSM 0.39
66 YVQEyWIRFKSM 0.39
67 YIQEyWIVFKSM 0.39
68 YVFNyWIRFKSM 0.4
69 YVQNyEIKFKSM 0.4
70 YVFEyWsKFLSM 0.4
71 YIRNyWIKFKSM 0.4
72 YIFGyWIVFKSM 0.41
73 YVFNyLIKFKSM 0.41
74 YVFGyWIKFLSM 0.41
75 YIFEyWsVFKSM 0.41
76 YVFEyWFVFKSM 0.41
77 YVQEyLIKFKSM 0.41
78 YVFEyWsRFKSM 0.41
79 YVRNyWsVFKSM 0.41
80 YIREyWsKFKSM 0.42
81 YVFGyWIRFKSM 0.42
82 YIRGyWIKFKSM 0.42
83 YVREyWFKFKSM 0.42
84 YVQGyEIKFKSM 0.42
85 YVQNyWIKFLSM 0.42
86 YVQEyEsKFKSM 0.42
87 YVFNyEsKFKSM 0.42
88 YVQNyWIRFKSM 0.42
89 YIQNyWIVFKSM 0.42
90 YIQEyWsVFKSM 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YVFNyWIKFKSM

7.35

-27.55

-20.2
2 YVFGyWIKFKSM

6.28

-25.31

-19.03
3 YVFGyWsKFKSM

6.3

-25.05

-18.75
4 YVQGyWsKFKSM

6.29

-24.4

-18.11
5 YVFEyWFKFKSM

6.88

-24.57

-17.69
6 YVRGyWIKFKSM

6.32

-23.84

-17.52
7 YVFEyWIKFKSM

6.97

-24.38

-17.41
8 YVFEyWsKFKSM

8.14

-25.28

-17.14
9 YVQEyWsVFKSM

6.87

-23.8

-16.93
10 YVQNyWsKFKSM

6.75

-23.53

-16.78
11 YVFEyWIVFKSM

7.54

-24.17

-16.63
12 YVQGyWIKFKSM

6.66

-23.12

-16.46
13 YVREyWIKFKSM

7.44

-23.87

-16.43
14 YVFEyWsVFKSM

6.59

-22.78

-16.19
15 YIFNyWIKFKSM

8.07

-24.25

-16.18
16 YIFEyWIKFKSM

8.16

-24.13

-15.97
17 YVQEyWIVFKSM

7.6

-23.5

-15.9
18 YIQEyWIKFKSM

8.25

-23.53

-15.28
19 YVFNyWsVFKSM

6.93

-22.04

-15.11
20 YIFGyWIKFKSM

7.4

-22.49

-15.09
21 YVQEyWIKFKSM

8.46

-23.44

-14.98
22 YVFNyWsKFKSM

6.61

-21.5

-14.89
23 YVFGyWIVFKSM

6.23

-20.96

-14.73
24 YVQGyWIVFKSM

7.07

-21.78

-14.71
25 YVQNyWIKFKSM

9.33

-24.04

-14.71
26 YVQEyWsKFKSM

7.03

-21.64

-14.61
27 YVQNyWIVFKSM

6.97

-21.52

-14.55
28 YVFNyWIVFKSM

7.65

-21.72

-14.07
29 YVREyWsKFKSM

7.17

-21.21

-14.04
30 YVRNyWIKFKSM

7.59

-21.1

-13.51

 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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