Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1FYN-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 8.839 ΔGbinding -0.876
TOTAL
 7.963
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.262
Van der Waals -1.895 Backbone clash 0.017
Electrostatics 0.080 Helix dipole 0.000
Solvation Polar 1.833 Water bridges 0.000
Solvation Hyd -2.798 Disulfide 0.000
VdW clashes 0.131 Electrost. Kon 0.043
Entropy sc 0.162 Part.cov.bonds 0.000
Entropy mc

1.307

 ΔGstability

77.848
       

Predicted ligand sequences for model [FUS1_1FYN-13.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).
 
  FUS1_1FYN-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFRWRRWW 0.0
2 RFRWRRNW 0.02
3 RFPWRRWW 0.08
4 RFRWRPWW 0.09
5 RFPWRRNW 0.1
6 RFRWRPNW 0.11
7 RFPWRPWW 0.16
8 RFPWRPNW 0.18
9 RFKWRRWW 0.26
10 RFKWRRNW 0.28
11 RFIWRRWW 0.28
12 RFIWRRNW 0.3
13 RFRWRFWW 0.32
14 RFKWRPWW 0.34
15 RFRWRFNW 0.34
16 RFIWRPWW 0.36
17 RFKWRPNW 0.36
18 RFRWRYWW 0.37
19 RFIWRPNW 0.38
20 RFRWRRVW 0.39
21 RFPWRFWW 0.39
22 RFRWRYNW 0.39
23 RFPWRFNW 0.41
24 RFPWRYWW 0.45
25 RFPWRYNW 0.47
26 RFPWRRVW 0.47
27 RFRLRRWW 0.48
28 RFRWRPVW 0.48
29 RFRLRRNW 0.5
30 RFPWRPVW 0.55
31 RFPLRRWW 0.55
32 RFRLRPWW 0.56
33 RFKWRFWW 0.57
34 RFPLRRNW 0.57
35 RFRLRPNW 0.58
36 RFIWRFWW 0.59
37 RFKWRFNW 0.59
38 RFIWRFNW 0.61
39 RFKWRYWW 0.63
40 RFPLRPWW 0.64
41 RFIWRYWW 0.65
42 RFKWRRVW 0.65
43 RFKWRYNW 0.65
44 RFPLRPNW 0.66
45 RFIWRRVW 0.67
46 RFIWRYNW 0.67
47 RFRWRFVW 0.71
48 RFKWRPVW 0.73
49 RFKLRRWW 0.73
50 RFKLRRNW 0.75
51 RFIWRPVW 0.75
52 RFILRRWW 0.75
53 RFRWRYVW 0.76
54 RFILRRNW 0.77
55 RFPWRFVW 0.78
56 RFRLRFWW 0.79
57 RFRLRFNW 0.81
58 RFKLRPWW 0.82
59 RFPWRYVW 0.84
60 RFILRPWW 0.84
61 RFKLRPNW 0.84
62 RFRLRYWW 0.85
63 RFILRPNW 0.86
64 RFRLRYNW 0.87
65 RFRLRRVW 0.87
66 RFPLRFWW 0.87
67 RFPLRFNW 0.89
68 RFPLRYWW 0.93
69 RFPLRYNW 0.94
70 RFPLRRVW 0.94
71 RFRLRPVW 0.95
72 RFKWRFVW 0.96
73 RFIWRFVW 0.98
74 RFKWRYVW 1.02
75 RFPLRPVW 1.03
76 RFIWRYVW 1.04
77 RFKLRFWW 1.05
78 RFILRFWW 1.07
79 RFKLRFNW 1.07
80 RFILRFNW 1.09
81 RFKLRYWW 1.1
82 RFKLRYNW 1.12
83 RFKLRRVW 1.12
84 RFILRYWW 1.12
85 RFILRYNW 1.14
86 RFILRRVW 1.14
87 RFRLRFVW 1.18
88 RFKLRPVW 1.21
89 RFILRPVW 1.23
90 RFRLRYVW 1.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFRWRRNW

5.54

-9.26

-3.72
2 RFRLRRWW

5.34

-8.55

-3.21
3 RFRWRFNW

5.76

-8.85

-3.09
4 RFPWRPNW

6.03

-9.06

-3.03
5 RFKWRPWW

4.17

-7.11

-2.94
6 RFIWRPNW

5.57

-8.51

-2.94
7 RFRWRRVW

4.43

-7.33

-2.9
8 RFRWRPWW

5.41

-8.14

-2.73
9 RFIWRPWW

4.16

-6.8

-2.64
10 RFRLRRNW

5.63

-8.05

-2.42
11 RFRWRYNW

5.4

-7.67

-2.27
12 RFPWRRNW

4.98

-7.22

-2.24
13 RFPWRYNW

5.92

-7.54

-1.62
14 RFRWRYWW

5.13

-6.63

-1.5
15 RFPWRFNW

5.94

-7.41

-1.47
16 RFPWRRVW

5.17

-6.55

-1.38
17 RFKWRPNW

5.72

-7.0

-1.28
18 RFRWRPNW

5.21

-6.4

-1.19
19 RFKWRRWW

5.93

-7.05

-1.12
20 RFPWRPWW

5.56

-6.66

-1.1
21 RFRWRPVW

5.34

-6.31

-0.97
22 RFIWRRWW

5.25

-6.08

-0.83
23 RFPWRPVW

6.18

-6.94

-0.76
24 RFRWRRWW

5.93

-6.56

-0.63
25 RFRWRFWW

5.15

-5.49

-0.34
26 RFIWRRNW

6.44

-6.73

-0.29
27 RFKWRRNW

5.39

-5.56

-0.17
28 RFPWRFWW

5.84

-5.79

0.05
29 RFPWRRWW

5.95

-5.02

0.93
30 RFPWRYWW

6.32

-5.1

1.22

 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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