Predicted ligand sequences (modelled structure)


ADAN-name: FUS1_1PWT-25.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 6.358 ΔGbinding 7.235
TOTAL
 13.593
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.298
Van der Waals -2.831 Backbone clash 0.119
Electrostatics 0.127 Helix dipole 0.000
Solvation Polar 2.896 Water bridges -0.003
Solvation Hyd -4.071 Disulfide 0.000
VdW clashes 7.103 Electrost. Kon 0.163
Entropy sc 0.299 Part.cov.bonds 0.000
Entropy mc

3.255

 ΔGstability

103.679
       

Predicted ligand sequences for model [FUS1_1PWT-25.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_1PWT-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRPWYPAY 0.0
2 KKRPWYPAY 0.01
3 HKRPWYPAY 0.03
4 RRRPWYPAY 0.03
5 KRRPWYPAY 0.04
6 HRRPWYPAY 0.06
7 RWRPWYPAY 0.09
8 KWRPWYPAY 0.1
9 HWRPWYPAY 0.12
10 RKRPWRPAY 0.2
11 KKRPWRPAY 0.22
12 RRRPWRPAY 0.23
13 HKRPWRPAY 0.24
14 RKRRWYPAY 0.25
15 KRRPWRPAY 0.25
16 HRRPWRPAY 0.26
17 KKRRWYPAY 0.27
18 HKRRWYPAY 0.28
19 RRRRWYPAY 0.28
20 RWRPWRPAY 0.29
21 KRRRWYPAY 0.29
22 RKRPWYHAY 0.3
23 KWRPWRPAY 0.3
24 HRRRWYPAY 0.31
25 RKRPWYGAY 0.31
26 HWRPWRPAY 0.32
27 KKRPWYHAY 0.32
28 KKRPWYGAY 0.32
29 HKRPWYHAY 0.33
30 RRRPWYHAY 0.33
31 HKRPWYGAY 0.34
32 KRRPWYHAY 0.34
33 RWRRWYPAY 0.34
34 RRRPWYGAY 0.34
35 KWRRWYPAY 0.35
36 KRRPWYGAY 0.35
37 RKRKWYPAY 0.35
38 HRRPWYHAY 0.36
39 RKRPWYPPY 0.36
40 RKRPWYPRY 0.37
41 HRRPWYGAY 0.37
42 KKRKWYPAY 0.37
43 HWRRWYPAY 0.37
44 RRRKWYPAY 0.38
45 KKRPWYPPY 0.38
46 RWRPWYGAY 0.39
47 RRRPWYPPY 0.39
48 KKRPWYPRY 0.39
49 RWRPWYHAY 0.39
50 HKRKWYPAY 0.39
51 KRRPWYPPY 0.4
52 KWRPWYHAY 0.4
53 HKRPWYPPY 0.4
54 RRRPWYPRY 0.4
55 KRRKWYPAY 0.4
56 HKRPWYPRY 0.41
57 HRRKWYPAY 0.41
58 KWRPWYGAY 0.41
59 HRRPWYPPY 0.42
60 HWRPWYHAY 0.42
61 KRRPWYPRY 0.42
62 HRRPWYPRY 0.43
63 HWRPWYGAY 0.43
64 RKRPWHPAY 0.43
65 RWRKWYPAY 0.44
66 KWRKWYPAY 0.45
67 KKRPWHPAY 0.45
68 RWRPWYPPY 0.45
69 RRRPWHPAY 0.46
70 RWRPWYPRY 0.46
71 KWRPWYPPY 0.46
72 RKRRWRPAY 0.46
73 HKRPWHPAY 0.46
74 HWRKWYPAY 0.47
75 KWRPWYPRY 0.47
76 KKRRWRPAY 0.47
77 KRRPWHPAY 0.47
78 RRRRWRPAY 0.48
79 HWRPWYPPY 0.48
80 HRRPWHPAY 0.49
81 HKRRWRPAY 0.49
82 HWRPWYPRY 0.49
83 RKRPWRHAY 0.5
84 KRRRWRPAY 0.5
85 RKRPWRGAY 0.51
86 RWRPWHPAY 0.52
87 KKRPWRHAY 0.52
88 HRRRWRPAY 0.52
89 KWRPWHPAY 0.53
90 RRRPWRHAY 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HRRRWYPAY

4.25

-5.25

-1.0
2 HRRPWRPAY

4.56

-5.26

-0.7
3 RRRPWYPAY

4.11

-4.37

-0.26
4 KRRPWYPAY

4.21

-4.3

-0.09
5 RKRPWYHAY

4.18

-4.18

0.0
6 RRRPWRPAY

4.02

-3.97

0.05
7 HKRRWYPAY

4.12

-4.07

0.05
8 KRRPWRPAY

4.01

-3.82

0.19
9 RKRRWYPAY

3.7

-3.49

0.21
10 HRRPWYPAY

3.94

-3.67

0.27
11 KRRRWYPAY

4.67

-4.25

0.42
12 KKRPWYPAY

3.95

-3.51

0.44
13 RRRPWYHAY

3.87

-3.38

0.49
14 RRRRWYPAY

3.4

-2.87

0.53
15 HKRPWRPAY

3.99

-3.41

0.58
16 RKRPWRPAY

4.14

-3.54

0.6
17 RKRPWYGAY

3.75

-3.13

0.62
18 KKRPWYHAY

3.95

-3.28

0.67
19 KKRRWYPAY

4.32

-3.51

0.81
20 HKRPWYHAY

4.27

-3.44

0.83
21 KKRPWRPAY

4.4

-3.56

0.84
22 KKRPWYGAY

4.22

-3.12

1.1
23 HKRPWYPAY

3.6

-2.24

1.36
24 RKRPWYPAY

4.36

-2.92

1.44
25 HWRPWYPAY

3.69

-2.19

1.5
26 HWRPWRPAY

4.24

-2.73

1.51
27 RWRPWRPAY

4.72

-1.77

2.95
28 RWRPWYPAY

4.35

-1.12

3.23
29 KWRPWYPAY

4.7

-1.38

3.32
30 KWRPWRPAY

5.07

-1.35

3.72

 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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