Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1SEM-26.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
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 3.776 ΔGbinding -1.424
TOTAL
 2.352
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.340
Van der Waals -2.945 Backbone clash 0.005
Electrostatics 0.141 Helix dipole 0.000
Solvation Polar 2.740 Water bridges -0.041
Solvation Hyd -4.242 Disulfide 0.000
VdW clashes 0.017 Electrost. Kon 0.241
Entropy sc 0.196 Part.cov.bonds 0.000
Entropy mc

2.129

 ΔGstability

51.718
       

Predicted ligand sequences for model [BUD14_1SEM-26.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).
 
  BUD14_1SEM-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 SRRRRYRPQ 0.0
2 RRRRRYRPQ 0.0
3 SRIRRYRPQ 0.02
4 SERRRYRPQ 0.02
5 RRIRRYRPQ 0.02
6 RERRRYRPQ 0.03
7 SDRRRYRPQ 0.04
8 SEIRRYRPQ 0.04
9 REIRRYRPQ 0.05
10 RDRRRYRPQ 0.05
11 KRRRRYRPQ 0.07
12 RDIRRYRPQ 0.07
13 SDIRRYRPQ 0.07
14 KRIRRYRPQ 0.09
15 KERRRYRPQ 0.09
16 KEIRRYRPQ 0.11
17 KDRRRYRPQ 0.11
18 KDIRRYRPQ 0.13
19 RRRRRYRRQ 0.13
20 SRRRRYRRQ 0.13
21 SERRRYRRQ 0.15
22 RRIRRYRRQ 0.15
23 RRRNRYRPQ 0.15
24 RERRRYRRQ 0.15
25 SRRNRYRPQ 0.15
26 SRIRRYRRQ 0.15
27 SDRRRYRRQ 0.17
28 SEIRRYRRQ 0.17
29 SERNRYRPQ 0.17
30 RRINRYRPQ 0.17
31 SRINRYRPQ 0.17
32 REIRRYRRQ 0.17
33 RDRRRYRRQ 0.17
34 RERNRYRPQ 0.17
35 REINRYRPQ 0.19
36 SEINRYRPQ 0.19
37 SDRNRYRPQ 0.19
38 SDIRRYRRQ 0.19
39 SRRRKYRPQ 0.2
40 RDIRRYRRQ 0.2
41 RDRNRYRPQ 0.2
42 KRRRRYRRQ 0.2
43 KRRNRYRPQ 0.21
44 RRRRKYRPQ 0.21
45 RDINRYRPQ 0.21
46 SDINRYRPQ 0.21
47 KERRRYRRQ 0.22
48 KRIRRYRRQ 0.22
49 SRIRKYRPQ 0.22
50 RERRKYRPQ 0.23
51 RRIRKYRPQ 0.23
52 SERRKYRPQ 0.23
53 KRINRYRPQ 0.23
54 KDRRRYRRQ 0.24
55 KEIRRYRRQ 0.24
56 KERNRYRPQ 0.24
57 RDRRKYRPQ 0.25
58 SDRRKYRPQ 0.25
59 REIRKYRPQ 0.25
60 SEIRKYRPQ 0.25
61 SRRHRYRPQ 0.26
62 KEINRYRPQ 0.26
63 KDIRRYRRQ 0.26
64 KDRNRYRPQ 0.26
65 RRRHRYRPQ 0.27
66 KRRRKYRPQ 0.27
67 RDIRKYRPQ 0.27
68 SDIRKYRPQ 0.27
69 SRRNRYRRQ 0.28
70 SRIHRYRPQ 0.28
71 RRRNRYRRQ 0.28
72 KDINRYRPQ 0.28
73 SRRRRYRSQ 0.29
74 RRIHRYRPQ 0.29
75 KRIRKYRPQ 0.29
76 RERHRYRPQ 0.29
77 RRRRRYRSQ 0.29
78 SERHRYRPQ 0.29
79 KERRKYRPQ 0.3
80 SERNRYRRQ 0.3
81 RRINRYRRQ 0.3
82 RERNRYRRQ 0.3
83 SRINRYRRQ 0.3
84 REIHRYRPQ 0.31
85 RDRHRYRPQ 0.31
86 SEIHRYRPQ 0.31
87 RRIRRYRSQ 0.31
88 SRIRRYRSQ 0.31
89 SDRHRYRPQ 0.31
90 REINRYRRQ 0.32
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRNRYRPQ

1.6

-9.46

-7.86
2 SEIRRYRPQ

2.21

-9.31

-7.1
3 RRIRRYRPQ

1.92

-8.98

-7.06
4 KRRRRYRPQ

1.55

-8.0

-6.45
5 SRIRRYRPQ

1.84

-8.29

-6.45
6 REIRRYRPQ

2.2

-8.57

-6.37
7 RERRRYRPQ

1.97

-8.2

-6.23
8 RRINRYRPQ

1.56

-7.63

-6.07
9 SDIRRYRPQ

1.98

-7.84

-5.86
10 KEIRRYRPQ

1.6

-7.19

-5.59
11 SRIRRYRRQ

1.64

-7.2

-5.56
12 KRIRRYRPQ

1.46

-7.01

-5.55
13 SRRRRYRRQ

1.52

-6.93

-5.41
14 KDIRRYRPQ

1.61

-6.99

-5.38
15 RRRRRYRPQ

1.84

-6.9

-5.06
16 SERRRYRRQ

1.66

-6.59

-4.93
17 SERRRYRPQ

1.61

-6.47

-4.86
18 SDRRRYRPQ

1.91

-6.51

-4.6
19 SRRRRYRPQ

1.84

-6.03

-4.19
20 KDRRRYRPQ

2.08

-6.15

-4.07
21 SDRRRYRRQ

2.07

-6.13

-4.06
22 SERNRYRPQ

1.43

-5.24

-3.81
23 SRRNRYRPQ

1.46

-5.23

-3.77
24 SEIRRYRRQ

1.9

-5.51

-3.61
25 RDRRRYRPQ

1.65

-5.15

-3.5
26 KERRRYRPQ

1.44

-4.66

-3.22
27 RERRRYRRQ

1.44

-4.64

-3.2
28 RRIRRYRRQ

1.87

-4.67

-2.8
29 RRRRRYRRQ

1.49

-4.17

-2.68
30 RDIRRYRPQ

2.19

-4.72

-2.53

 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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