Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-6.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 10
poly-Ala
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 0.362 ΔGbinding -0.489
TOTAL
 -0.127
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.514
Van der Waals -3.858 Backbone clash 0.015
Electrostatics 0.184 Helix dipole 0.000
Solvation Polar 4.173 Water bridges -0.046
Solvation Hyd -5.009 Disulfide 0.000
VdW clashes 0.808 Electrost. Kon 0.246
Entropy sc 0.541 Part.cov.bonds 0.000
Entropy mc

2.232

 ΔGstability

16.206
       

Predicted ligand sequences for model [LSB3_1SSH-6.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-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRRPRRPPR 0.0
2 RPRRPKRPPR 0.01
3 RPRMPRRPPR 0.01
4 RPRRPPRPPR 0.02
5 RPRMPKRPPR 0.02
6 RPRMPPRPPR 0.03
7 RPRKPRRPPR 0.04
8 RPRKPKRPPR 0.06
9 RPRMPRRRPR 0.06
10 RPRRPRRRPR 0.06
11 RPRKPPRPPR 0.07
12 RPRRPKRRPR 0.07
13 RPRRPPRRPR 0.08
14 RPRMPKRRPR 0.08
15 RPRMPPRRPR 0.09
16 RPRKPRRRPR 0.1
17 RPRRPRRHPR 0.11
18 RPRKPKRRPR 0.11
19 RPRMPRRHPR 0.12
20 RPRKPPRRPR 0.12
21 RPRRPKRHPR 0.12
22 RPRRPPRHPR 0.13
23 RPRMPKRHPR 0.13
24 RPRMPPRHPR 0.14
25 RPRKPRRHPR 0.16
26 RPRKPKRHPR 0.17
27 RPRKPPRHPR 0.18
28 RPRRPRRPRR 0.22
29 RPRMPRRPRR 0.22
30 RPHRPRRPPR 0.22
31 RPRRPKRPRR 0.23
32 RPHMPRRPPR 0.23
33 RPHMPKRPPR 0.24
34 RPRRPPRPRR 0.24
35 RPHRPPRPPR 0.24
36 RPRMPPRPRR 0.24
37 RPHRPKRPPR 0.24
38 RPRMPKRPRR 0.24
39 RPHMPPRPPR 0.25
40 RPRKPRRPRR 0.26
41 RPRKPKRPRR 0.27
42 RPRRPRRPMR 0.27
43 RPHKPRRPPR 0.27
44 RPIRPRRPPR 0.28
45 RPRKPPRPRR 0.28
46 RPHKPKRPPR 0.28
47 RPHRPRRRPR 0.28
48 RPRMPRRPMR 0.28
49 RPRMPRRRRR 0.28
50 RPRRPRRRRR 0.28
51 RPIMPRRPPR 0.29
52 RPIRPKRPPR 0.29
53 RPHMPRRRPR 0.29
54 RPHRPKRRPR 0.29
55 RPRMPKRPMR 0.29
56 RPRRPKRPMR 0.29
57 RPRMPKRRRR 0.29
58 RPHKPPRPPR 0.29
59 RPRRPKRRRR 0.29
60 RPRRPPRRRR 0.3
61 RPIMPKRPPR 0.3
62 RPRMPPRRRR 0.3
63 RPHMPKRRPR 0.3
64 RPIRPPRPPR 0.3
65 RPRRPPRPMR 0.3
66 RPRMPPRPMR 0.3
67 RPHRPPRRPR 0.3
68 RPHMPPRRPR 0.31
69 RPIMPPRPPR 0.31
70 RPRKPRRPMR 0.32
71 RPRKPRRRRR 0.32
72 RPRKPKRPMR 0.33
73 RPIKPRRPPR 0.33
74 RPRRPRRHRR 0.33
75 RPRRPRRRMR 0.33
76 RPHKPRRRPR 0.33
77 RPRKPKRRRR 0.33
78 RPHMPRRHPR 0.34
79 RPRKPPRRRR 0.34
80 RPRRPKRHRR 0.34
81 RPIKPKRPPR 0.34
82 RPHRPRRHPR 0.34
83 RPRMPRRHRR 0.34
84 RPRKPPRPMR 0.34
85 RPRRPKRRMR 0.34
86 RPRMPRRRMR 0.34
87 RPHKPKRRPR 0.34
88 RPIRPRRRPR 0.34
89 RPIMPRRRPR 0.35
90 RPIKPPRPPR 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPRKPPRHPR

1.51

-9.91

-8.4
2 RPRRPRRHPR

1.66

-9.83

-8.17
3 RPRRPRRPRR

1.71

-9.68

-7.97
4 RPRRPKRRPR

1.25

-8.98

-7.73
5 RPRKPKRRPR

1.35

-9.02

-7.67
6 RPRRPRRRPR

1.37

-8.88

-7.51
7 RPRKPRRHPR

1.43

-8.88

-7.45
8 RPRRPPRRPR

1.63

-8.98

-7.35
9 RPRKPPRPPR

1.64

-8.88

-7.24
10 RPRKPRRRPR

1.39

-8.55

-7.16
11 RPRRPPRPPR

1.41

-8.53

-7.12
12 RPRMPRRHPR

1.74

-8.83

-7.09
13 RPRMPPRHPR

1.8

-8.85

-7.05
14 RPRMPKRHPR

1.38

-8.34

-6.96
15 RPRMPPRRPR

1.73

-8.64

-6.91
16 RPRMPKRPPR

1.19

-8.01

-6.82
17 RPRRPRRPPR

1.68

-8.44

-6.76
18 RPRKPKRHPR

1.19

-7.89

-6.7
19 RPRMPKRRPR

1.52

-8.01

-6.49
20 RPRKPRRPPR

1.17

-7.61

-6.44
21 RPRKPPRRPR

1.51

-7.82

-6.31
22 RPRKPKRPPR

1.17

-7.43

-6.26
23 RPHRPRRPPR

1.96

-8.08

-6.12
24 RPRMPPRPPR

1.9

-8.01

-6.11
25 RPRMPRRRPR

1.34

-7.43

-6.09
26 RPRRPKRPPR

1.63

-7.62

-5.99
27 RPRRPPRHPR

1.57

-7.56

-5.99
28 RPRMPRRPRR

1.22

-6.67

-5.45
29 RPRRPKRHPR

0.94

-5.76

-4.82
30 RPRMPRRPPR

1.11

-5.91

-4.8

 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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