Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1CKB-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 0.966 ΔGbinding -2.495
TOTAL
 -1.529
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.509
Van der Waals -3.136 Backbone clash 0.046
Electrostatics 0.150 Helix dipole 0.000
Solvation Polar 3.035 Water bridges 0.000
Solvation Hyd -4.505 Disulfide 0.000
VdW clashes 0.035 Electrost. Kon 0.102
Entropy sc 0.471 Part.cov.bonds 0.000
Entropy mc

2.119

 ΔGstability

33.716
       

Predicted ligand sequences for model [PIN3_1CKB-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).
 
  PIN3_1CKB-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFFLHPWF 0.0
2 MPFLHPWF 0.0
3 MPFLHRWF 0.01
4 MFFLHRWF 0.02
5 MPKLHPWF 0.02
6 MFKLHPWF 0.02
7 MFRLHPWF 0.04
8 MFKLHRWF 0.04
9 MPKLHRWF 0.04
10 MPRLHPWF 0.04
11 MFWLHPWF 0.05
12 MPWLHPWF 0.05
13 MFRLHRWF 0.06
14 MPRLHRWF 0.06
15 MFWLHRWF 0.07
16 MPWLHRWF 0.07
17 MFPLHPWF 0.08
18 MPPLHPWF 0.08
19 MFFLHPWA 0.09
20 MPPLHRWF 0.09
21 MPFLHPWA 0.09
22 MFFLHRWA 0.1
23 MFPLHRWF 0.1
24 MPFLHRWA 0.1
25 MPKLHPWA 0.11
26 MFKLHPWA 0.11
27 MFFLHPWM 0.12
28 MPKLHRWA 0.12
29 MFKLHRWA 0.12
30 MPFLHPWC 0.12
31 MPFLHPWM 0.12
32 MFFLHRWM 0.13
33 MFFLHPWC 0.13
34 MFRLHPWA 0.13
35 MPFLHRWM 0.13
36 MPRLHPWA 0.13
37 MFFLHRWC 0.14
38 MFFLHPWG 0.14
39 MFWLHPWA 0.14
40 MFRLHRWA 0.14
41 MPRLHRWA 0.14
42 MPWLHPWA 0.14
43 MPFLHRWC 0.14
44 MPFLHPWG 0.14
45 MPKLHPWM 0.14
46 MPKLHPWC 0.14
47 MFKLHPWM 0.14
48 MPKLHRWM 0.15
49 MFKLHRWM 0.15
50 MPWLHRWA 0.15
51 MFKLHPWC 0.15
52 MFFLHRWG 0.16
53 MFWLHRWA 0.16
54 MFRLHPWM 0.16
55 MPKLHPWG 0.16
56 MFKLHRWC 0.16
57 MPKLHRWC 0.16
58 MPRLHPWM 0.16
59 MPFLHRWG 0.16
60 MFKLHPWG 0.16
61 MFRLHRWM 0.17
62 MFWLHPWM 0.17
63 MFPLHPWA 0.17
64 MPRLHRWM 0.17
65 MFRLHPWC 0.17
66 MPWLHPWM 0.17
67 MPPLHPWA 0.17
68 MPRLHPWC 0.17
69 MFWLHRWM 0.18
70 MFWLHPWC 0.18
71 MFRLHRWC 0.18
72 MPRLHRWC 0.18
73 MPPLHRWA 0.18
74 MFRLHPWG 0.18
75 MPWLHPWC 0.18
76 MFPLHRWA 0.18
77 MFKLHRWG 0.18
78 MPWLHRWM 0.18
79 MPKLHRWG 0.18
80 MPRLHPWG 0.18
81 MFWLHRWC 0.19
82 MPWLHPWG 0.19
83 MPWLHRWC 0.19
84 MFWLHPWG 0.2
85 MFRLHRWG 0.2
86 MFPLHPWM 0.2
87 MPRLHRWG 0.2
88 MPPLHPWC 0.2
89 MPPLHPWM 0.2
90 MFPLHPWC 0.21
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPFLHRWA

2.94

-9.46

-6.52
2 MPFLHPWC

2.83

-8.93

-6.1
3 MPKLHPWF

3.37

-9.32

-5.95
4 MPWLHRWF

3.52

-9.21

-5.69
5 MPFLHRWF

3.15

-8.77

-5.62
6 MPPLHPWF

4.35

-9.66

-5.31
7 MPFLHPWA

2.89

-8.19

-5.3
8 MPFLHPWF

4.23

-9.36

-5.13
9 MPKLHRWF

3.64

-8.7

-5.06
10 MPKLHRWA

3.69

-8.68

-4.99
11 MPPLHRWF

3.06

-7.97

-4.91
12 MFKLHPWA

3.08

-7.98

-4.9
13 MPRLHPWF

3.16

-8.05

-4.89
14 MPRLHRWF

3.44

-8.3

-4.86
15 MFPLHPWF

3.54

-8.4

-4.86
16 MFFLHPWA

2.83

-7.57

-4.74
17 MFRLHRWF

2.93

-7.67

-4.74
18 MFPLHRWF

3.67

-8.3

-4.63
19 MFRLHPWF

3.59

-8.0

-4.41
20 MFWLHPWF

3.68

-8.05

-4.37
21 MFKLHRWA

3.93

-7.87

-3.94
22 MFFLHRWA

3.98

-7.91

-3.93
23 MFWLHRWF

4.33

-8.22

-3.89
24 MFFLHPWF

3.72

-7.21

-3.49
25 MFFLHRWF

3.98

-7.4

-3.42
26 MFKLHPWF

3.51

-6.85

-3.34
27 MPWLHPWF

4.22

-7.3

-3.08
28 MPKLHPWA

3.29

-5.96

-2.67
29 MFFLHPWM

3.37

-6.0

-2.63
30 MFKLHRWF

5.82

-8.31

-2.49

 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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