Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-5.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 2.376 ΔGbinding 1.324
TOTAL
 3.700
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.403
Van der Waals -5.643 Backbone clash 0.072
Electrostatics -0.068 Helix dipole 0.000
Solvation Polar 5.178 Water bridges 0.043
Solvation Hyd -8.685 Disulfide 0.000
VdW clashes 6.520 Electrost. Kon -0.070
Entropy sc 0.839 Part.cov.bonds 0.000
Entropy mc

3.080

 ΔGstability

9.826
       

Predicted ligand sequences for model [PIN3_1ZX6-5.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).
 
  PIN3_1ZX6-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRNFKARPHF 0.0
2 MRNFKARRHF 0.11
3 MRYFKARPHF 0.13
4 MRNFKAREHF 0.14
5 MRHFKARPHF 0.14
6 MRNFKARDHF 0.15
7 MRRFKARPHF 0.19
8 MRNFPARPHF 0.23
9 MRYFKARRHF 0.23
10 MRHFKARRHF 0.24
11 MRYFKAREHF 0.26
12 MRHFKAREHF 0.27
13 MRYFKARDHF 0.27
14 MRNFFARPHF 0.28
15 MRNFKARPPF 0.28
16 MRHFKARDHF 0.28
17 MRRFKARRHF 0.29
18 MRRFKAREHF 0.32
19 MRNFPARRHF 0.33
20 MRRFKARDHF 0.33
21 MRNFWARPHF 0.34
22 MRYFPARPHF 0.35
23 MRNFPAREHF 0.36
24 MRHFPARPHF 0.36
25 MRNFPARDHF 0.37
26 MRNFKARRPF 0.38
27 MRNFFARRHF 0.39
28 MRYFKARPPF 0.41
29 MRNFKAREPF 0.41
30 MRHFKARPPF 0.41
31 MRYFFARPHF 0.41
32 MRRFPARPHF 0.41
33 MRNFFAREHF 0.42
34 MRHFFARPHF 0.42
35 MRNFFARDHF 0.43
36 MRNFKARDPF 0.43
37 MRNFWARRHF 0.45
38 MRYFPARRHF 0.46
39 MRYFWARPHF 0.47
40 MRRFFARPHF 0.47
41 MRHFPARRHF 0.47
42 MRRFKARPPF 0.47
43 MRHFWARPHF 0.48
44 MRNFWAREHF 0.48
45 MRYFPAREHF 0.49
46 MRNFWARDHF 0.49
47 MRHFPAREHF 0.5
48 MRYFPARDHF 0.5
49 MRYFKARRPF 0.51
50 MRHFPARDHF 0.51
51 MRNFPARPPF 0.51
52 MRYFFARRHF 0.52
53 MRHFKARRPF 0.52
54 MRRFPARRHF 0.52
55 MRHFFARRHF 0.52
56 MRRFWARPHF 0.53
57 MRYFKAREPF 0.54
58 MRYFFAREHF 0.54
59 MRYFKARDPF 0.55
60 MRHFFAREHF 0.55
61 MRRFPAREHF 0.55
62 MRHFKAREPF 0.55
63 MRYFFARDHF 0.56
64 MRNFFARPPF 0.56
65 MRRFPARDHF 0.56
66 MRHFFARDHF 0.56
67 MRHFKARDPF 0.56
68 MRRFFARRHF 0.57
69 MRRFKARRPF 0.57
70 MRHFWARRHF 0.58
71 MRYFWARRHF 0.58
72 MRRFFAREHF 0.6
73 MRRFKAREPF 0.6
74 MRHFWAREHF 0.61
75 MRYFWAREHF 0.61
76 MRRFKARDPF 0.61
77 MRNFPARRPF 0.61
78 MRRFFARDHF 0.62
79 MRYFWARDHF 0.62
80 MRNFWARPPF 0.62
81 MRHFWARDHF 0.63
82 MRYFPARPPF 0.63
83 MRNFPAREPF 0.64
84 MRRFWARRHF 0.64
85 MRHFPARPPF 0.64
86 MRNFPARDPF 0.65
87 MRNFFARRPF 0.67
88 MRRFWAREHF 0.67
89 MRRFWARDHF 0.68
90 MRRFPARPPF 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRHFKAREHF

2.82

-10.97

-8.15
2 MRYFKARDHF

2.6

-10.66

-8.06
3 MRNFFARRHF

2.62

-10.62

-8.0
4 MRNFPAREHF

2.77

-10.32

-7.55
5 MRYFKARPPF

2.34

-9.69

-7.35
6 MRNFWARPHF

2.73

-10.07

-7.34
7 MRYFKAREHF

2.78

-10.04

-7.26
8 MRHFKARDHF

3.52

-10.17

-6.65
9 MRYFKARPHF

2.47

-9.11

-6.64
10 MRNFKAREHF

2.98

-9.33

-6.35
11 MRHFKARRHF

2.59

-8.82

-6.23
12 MRRFKARDHF

2.52

-8.71

-6.19
13 MRHFPARPHF

2.55

-8.74

-6.19
14 MRHFKARPHF

2.77

-8.93

-6.16
15 MRYFKARRHF

2.81

-8.91

-6.1
16 MRRFKAREHF

2.82

-8.9

-6.08
17 MRRFKARRHF

2.62

-8.68

-6.06
18 MRNFPARPHF

2.68

-8.69

-6.01
19 MRRFKARPHF

3.09

-9.03

-5.94
20 MRNFKARDHF

2.74

-8.63

-5.89
21 MRNFPARRHF

2.87

-8.76

-5.89
22 MRNFFARPHF

2.61

-8.36

-5.75
23 MRNFKARPHF

2.85

-8.56

-5.71
24 MRYFPARPHF

2.63

-8.34

-5.71
25 MRNFKARRHF

2.39

-7.85

-5.46
26 MRNFPARDHF

3.01

-8.42

-5.41
27 MRHFKARPPF

2.19

-7.52

-5.33
28 MRNFKARPPF

2.45

-7.52

-5.07
29 MRNFKARRPF

2.53

-7.59

-5.06
30 MRNFKAREPF

2.22

-7.09

-4.87

 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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