Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1GCQ-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 4.378 ΔGbinding -1.761
TOTAL
 2.617
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.679
Van der Waals -3.102 Backbone clash 0.000
Electrostatics 0.080 Helix dipole 0.000
Solvation Polar 4.015 Water bridges -0.110
Solvation Hyd -4.219 Disulfide 0.000
VdW clashes 0.097 Electrost. Kon 0.168
Entropy sc 0.325 Part.cov.bonds 0.000
Entropy mc

2.081

 ΔGstability

26.244
       

Predicted ligand sequences for model [BUD14_1GCQ-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_1GCQ-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRFYIYQ 0.0
2 RRRRWYIYQ 0.02
3 RKRRFYIYQ 0.07
4 RERRFYIYQ 0.08
5 RKRRWYIYQ 0.09
6 RRRRFYMYQ 0.1
7 RRRRFYLYQ 0.1
8 RERRWYIYQ 0.1
9 RRRRWYMYQ 0.11
10 RRRRWYLYQ 0.12
11 RRRRPYIYQ 0.12
12 RRIRFYIYQ 0.12
13 RRIRWYIYQ 0.14
14 RRRRFYIWQ 0.15
15 SRRRFYIYQ 0.16
16 RKRRFYLYQ 0.17
17 RRRRWYIWQ 0.17
18 RERRFYMYQ 0.17
19 RKRRFYMYQ 0.17
20 RKRRWYMYQ 0.18
21 SRRRWYIYQ 0.18
22 RERRFYLYQ 0.18
23 RKRRWYLYQ 0.18
24 RERRWYLYQ 0.19
25 RKRRPYIYQ 0.19
26 RERRWYMYQ 0.19
27 REIRFYIYQ 0.2
28 RERRPYIYQ 0.2
29 RKIRFYIYQ 0.2
30 RRRRPYMYQ 0.21
31 RKIRWYIYQ 0.21
32 RRRRPYLYQ 0.21
33 RRIRFYLYQ 0.22
34 RKRRFYIWQ 0.22
35 REIRWYIYQ 0.22
36 RRIRFYMYQ 0.22
37 RRRRFYIPQ 0.23
38 SKRRFYIYQ 0.23
39 RERRFYIWQ 0.23
40 RRRRWYIPQ 0.24
41 RRIRWYMYQ 0.24
42 RRIRPYIYQ 0.24
43 RKRRWYIWQ 0.24
44 RRIRWYLYQ 0.24
45 SERRFYIYQ 0.24
46 RRRRFYMWQ 0.25
47 RRRRFYLWQ 0.25
48 RERRWYIWQ 0.25
49 SKRRWYIYQ 0.25
50 RRMRFYIYQ 0.26
51 SRRRFYMYQ 0.26
52 SERRWYIYQ 0.26
53 SRRRFYLYQ 0.26
54 RRRRPYIWQ 0.27
55 RRRRWYMWQ 0.27
56 KRRRFYIYQ 0.27
57 RRRRWYLWQ 0.27
58 RRMRWYIYQ 0.28
59 RRIRFYIWQ 0.28
60 SRRRWYLYQ 0.28
61 SRRRPYIYQ 0.28
62 RKRRPYMYQ 0.28
63 RKRRPYLYQ 0.28
64 SRRRWYMYQ 0.28
65 RKIRFYLYQ 0.29
66 KRRRWYIYQ 0.29
67 RKIRFYMYQ 0.29
68 RERRPYMYQ 0.29
69 RRIRWYIWQ 0.29
70 RERRPYLYQ 0.29
71 SRIRFYIYQ 0.29
72 REIRFYLYQ 0.3
73 RKRRFYIPQ 0.3
74 REIRFYMYQ 0.3
75 SRIRWYIYQ 0.3
76 RKIRPYIYQ 0.31
77 RKIRWYLYQ 0.31
78 SRRRFYIWQ 0.31
79 RERRFYIPQ 0.31
80 RKIRWYMYQ 0.31
81 REIRWYMYQ 0.32
82 RKRRWYIPQ 0.32
83 RKRRFYLWQ 0.32
84 RERRWYIPQ 0.32
85 REIRPYIYQ 0.32
86 REIRWYLYQ 0.32
87 RRRRFYLPQ 0.32
88 RKRRFYMWQ 0.32
89 RRRRFYMPQ 0.32
90 RERRFYMWQ 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRIRWYIYQ

2.73

-8.87

-6.14
2 RRRRPYMYQ

2.54

-7.89

-5.35
3 RRIRFYIYQ

2.37

-7.44

-5.07
4 RERRFYIYQ

2.73

-7.79

-5.06
5 RKIRFYIYQ

2.79

-7.72

-4.93
6 RRRRPYIYQ

3.11

-7.82

-4.71
7 RKRRFYIYQ

2.81

-7.36

-4.55
8 RRRRFYIYQ

2.85

-7.32

-4.47
9 RKRRPYIYQ

2.78

-6.81

-4.03
10 REIRFYIYQ

2.64

-6.62

-3.98
11 SRRRFYIYQ

2.92

-6.88

-3.96
12 RKRRWYMYQ

2.76

-6.55

-3.79
13 RERRPYIYQ

2.62

-6.38

-3.76
14 RRRRFYMYQ

2.35

-5.93

-3.58
15 RRRRWYLYQ

1.78

-5.27

-3.49
16 RRRRFYIWQ

2.89

-6.25

-3.36
17 RRRRWYMYQ

3.23

-6.58

-3.35
18 RERRFYMYQ

2.45

-5.71

-3.26
19 RERRWYIYQ

3.24

-6.41

-3.17
20 RKRRWYLYQ

2.94

-5.84

-2.9
21 RERRFYLYQ

2.89

-5.65

-2.76
22 RRRRFYLYQ

2.45

-5.18

-2.73
23 RERRWYMYQ

2.49

-5.05

-2.56
24 RKRRFYMYQ

2.48

-4.98

-2.5
25 RKRRFYLYQ

3.72

-6.16

-2.44
26 SRRRWYIYQ

3.1

-5.43

-2.33
27 RRRRWYIYQ

3.19

-5.09

-1.9
28 RERRWYLYQ

2.65

-4.07

-1.42
29 RRRRWYIWQ

3.15

-4.51

-1.36
30 RKRRWYIYQ

3.25

-4.32

-1.07

 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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