Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-16.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala
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 3.175 ΔGbinding -1.003
TOTAL
 2.172
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.334
Van der Waals -3.438 Backbone clash 0.181
Electrostatics 0.415 Helix dipole 0.000
Solvation Polar 2.868 Water bridges -0.040
Solvation Hyd -5.155 Disulfide 0.000
VdW clashes 0.006 Electrost. Kon 0.487
Entropy sc 0.551 Part.cov.bonds 0.000
Entropy mc

3.244

 ΔGstability

15.124
       

Predicted ligand sequences for model [LSB3_1SSH-16.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).
 
  LSB3_1SSH-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFIRPIRF 0.0
2 FPFIRPRRF 0.02
3 FPPIRPIRF 0.03
4 FPPIRPRRF 0.05
5 FPYIRPIRF 0.09
6 FPFIRPHRF 0.09
7 FPYIRPRRF 0.11
8 FPPIRPHRF 0.12
9 FPYIRPHRF 0.18
10 FPFMRPIRF 0.28
11 FPFMRPRRF 0.3
12 FPPMRPIRF 0.31
13 FPFIRPIRR 0.32
14 FPFIRPRRR 0.33
15 FPPMRPRRF 0.33
16 FPPIRPIRR 0.34
17 WPFIRPIRF 0.36
18 FPPIRPRRR 0.36
19 FPYMRPIRF 0.37
20 WPFIRPRRF 0.38
21 FPFMRPHRF 0.38
22 FPYMRPRRF 0.39
23 WPPIRPIRF 0.39
24 FPYIRPIRR 0.4
25 FPPMRPHRF 0.4
26 FPFIRPHRR 0.41
27 WPPIRPRRF 0.41
28 FPYIRPRRR 0.42
29 FPPIRPHRR 0.43
30 FPFIRPIRK 0.44
31 WPFIRPHRF 0.45
32 WPYIRPIRF 0.45
33 FPFIRPRRK 0.46
34 FPYMRPHRF 0.46
35 WPYIRPRRF 0.47
36 FPPIRPIRK 0.47
37 WPPIRPHRF 0.48
38 FPPIRPRRK 0.48
39 FFFIRPIRF 0.5
40 FPYIRPHRR 0.5
41 FFFIRPRRF 0.52
42 FPYIRPIRK 0.53
43 FPFIRPHRK 0.53
44 FFPIRPIRF 0.53
45 WPYIRPHRF 0.54
46 FPYIRPRRK 0.54
47 FFPIRPRRF 0.55
48 FPPIRPHRK 0.56
49 FFFIRPHRF 0.59
50 FFYIRPIRF 0.59
51 FPFMRPIRR 0.6
52 FFYIRPRRF 0.61
53 FPFMRPRRR 0.62
54 FFPIRPHRF 0.62
55 FPYIRPHRK 0.62
56 FPPMRPIRR 0.63
57 WPFMRPIRF 0.64
58 FPPMRPRRR 0.65
59 WPFMRPRRF 0.66
60 WPPMRPIRF 0.67
61 FFYIRPHRF 0.68
62 WPFIRPIRR 0.68
63 WPFIRPRRR 0.69
64 WPPMRPRRF 0.69
65 FPFMRPHRR 0.69
66 FPYMRPIRR 0.69
67 WPPIRPIRR 0.7
68 FPYMRPRRR 0.71
69 WPPIRPRRR 0.72
70 FPFMRPIRK 0.72
71 FPPMRPHRR 0.72
72 WPYMRPIRF 0.73
73 FPFMRPRRK 0.74
74 WPFMRPHRF 0.74
75 WPYMRPRRF 0.75
76 FPPMRPIRK 0.75
77 WPPMRPHRF 0.76
78 WPYIRPIRR 0.76
79 WPFIRPHRR 0.77
80 FPPMRPRRK 0.77
81 FPYMRPHRR 0.78
82 WPYIRPRRR 0.78
83 FFFMRPIRF 0.78
84 WPPIRPHRR 0.79
85 FFFMRPRRF 0.8
86 WPFIRPIRK 0.8
87 WPFIRPRRK 0.81
88 FFFIRPIRR 0.81
89 FFPMRPIRF 0.81
90 FPFMRPHRK 0.81
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPIRPRRR

5.81

-10.37

-4.56
2 FPPMRPRRF

6.19

-10.52

-4.33
3 FPPIRPIRF

5.86

-9.85

-3.99
4 FPYIRPRRR

6.1

-9.94

-3.84
5 FPFMRPRRF

6.23

-10.03

-3.8
6 FPPIRPHRR

5.75

-9.46

-3.71
7 FPFIRPRRR

5.96

-9.67

-3.71
8 FPPMRPHRF

5.94

-9.41

-3.47
9 FPPMRPIRF

6.17

-9.62

-3.45
10 FPFMRPHRF

6.07

-9.47

-3.4
11 FPFMRPIRF

6.02

-9.3

-3.28
12 FPPIRPHRF

5.0

-8.25

-3.25
13 FPPIRPRRF

8.06

-11.27

-3.21
14 FPYIRPHRF

5.95

-9.13

-3.18
15 FPFIRPRRF

6.64

-9.65

-3.01
16 FPFIRPIRF

5.84

-8.74

-2.9
17 FPYIRPIRR

5.79

-8.66

-2.87
18 WPPIRPRRF

6.68

-9.53

-2.85
19 WPFIRPRRF

6.65

-9.44

-2.79
20 FPYIRPIRF

6.26

-8.99

-2.73
21 FPFIRPHRF

6.08

-8.77

-2.69
22 FPYMRPIRF

5.69

-8.26

-2.57
23 WPPIRPIRF

6.17

-8.72

-2.55
24 FPPIRPIRR

6.27

-8.65

-2.38
25 FPFIRPIRK

5.9

-8.2

-2.3
26 FPFIRPHRR

6.07

-8.12

-2.05
27 WPFIRPIRF

6.57

-8.61

-2.04
28 FPFIRPIRR

6.15

-7.6

-1.45
29 FPYMRPRRF

9.33

-10.16

-0.83
30 FPYIRPRRF

9.35

-10.12

-0.77

 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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