Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-10.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 1.038 ΔGbinding -1.551
TOTAL
 -0.513
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.282
Van der Waals -3.401 Backbone clash 0.118
Electrostatics 0.032 Helix dipole 0.001
Solvation Polar 3.116 Water bridges -0.109
Solvation Hyd -5.134 Disulfide 0.000
VdW clashes 0.117 Electrost. Kon 0.043
Entropy sc 0.170 Part.cov.bonds 0.000
Entropy mc

2.331

 ΔGstability

93.242
       

Predicted ligand sequences for model [CDC25_KJW-FYN-10.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).
 
  CDC25_KJW-FYN-10.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPEMPPFP 0.0
2 FPEMPPFP 0.03
3 RPEMPPMP 0.08
4 FPEMPPMP 0.11
5 RPEMPPFM 0.12
6 RPEMPFFP 0.12
7 FPEMPFFP 0.14
8 FPEMPPFM 0.14
9 RPDMPPFP 0.15
10 FPDMPPFP 0.18
11 RPWMPPFP 0.19
12 RPEMPPFK 0.19
13 RPEMPPMM 0.2
14 RPEMPWFP 0.2
15 RPEMPFMP 0.2
16 FPWMPPFP 0.21
17 FPEMPFMP 0.22
18 FPEMPPFK 0.22
19 RPEMPFFM 0.23
20 FPEMPWFP 0.23
21 FPEMPPMM 0.23
22 RPDMPPMP 0.23
23 FPDMPPMP 0.26
24 FPEMPFFM 0.26
25 RPDMPPFM 0.27
26 RPDMPFFP 0.27
27 RPWMPPMP 0.27
28 RPEMPPMK 0.27
29 RPEMPWMP 0.28
30 FPWMPPMP 0.29
31 RPWMPPFM 0.3
32 FPDMPFFP 0.3
33 FPEMPPMK 0.3
34 FPDMPPFM 0.3
35 RPEMDPFP 0.3
36 RPWMPFFP 0.3
37 FPEMPWMP 0.31
38 RPEMPFFK 0.31
39 RPEMPFMM 0.31
40 RPEMPWFM 0.32
41 FPWMPFFP 0.33
42 FPEMPFFK 0.33
43 FPEMDPFP 0.33
44 FPWMPPFM 0.33
45 RPDMPPFK 0.34
46 FPEMPWFM 0.34
47 FPEMPFMM 0.34
48 RPDMPFMP 0.35
49 RPDMPPMM 0.35
50 RPDMPWFP 0.35
51 RPEIPPFP 0.35
52 FPDMPPFK 0.37
53 FPDMPPMM 0.38
54 RPWMPPFK 0.38
55 FPEIPPFP 0.38
56 RPWMPPMM 0.38
57 FPDMPFMP 0.38
58 FPDMPWFP 0.38
59 RPWMPFMP 0.38
60 RPWMPWFP 0.39
61 RPDMPFFM 0.39
62 RPEMDPMP 0.39
63 RPEMPWFK 0.39
64 RPEMPFMK 0.39
65 RPEMWPFP 0.4
66 RPEMPWMM 0.4
67 FPWMPPFK 0.4
68 FPDMPFFM 0.41
69 FPWMPPMM 0.41
70 FPWMPWFP 0.41
71 FPEMPFMK 0.41
72 FPEMDPMP 0.41
73 FPWMPFMP 0.41
74 RPEMDFFP 0.42
75 FPEMPWMM 0.42
76 FPEMPWFK 0.42
77 RPWMPFFM 0.42
78 RPDMPPMK 0.42
79 RPEMDPFM 0.42
80 FPEMWPFP 0.43
81 RPDMPWMP 0.43
82 RPEIPPMP 0.43
83 FPDMPPMK 0.45
84 FPEMDPFM 0.45
85 FPEMDFFP 0.45
86 FPWMPFFM 0.45
87 RPDMPFFK 0.46
88 FPEIPPMP 0.46
89 RPWMPPMK 0.46
90 FPDMPWMP 0.46
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPEMPFFP

1.2

-10.44

-9.24
2 FPEMPFMP

2.22

-11.2

-8.98
3 FPDMPPMP

1.68

-10.51

-8.83
4 FPEMPPMP

1.72

-10.25

-8.53
5 RPDMPPFP

1.09

-9.58

-8.49
6 RPEMPPFM

1.09

-9.51

-8.42
7 RPWMPPMP

1.69

-10.1

-8.41
8 RPEMPPMP

2.27

-10.58

-8.31
9 RPEMPPMK

1.86

-10.12

-8.26
10 RPEMPPMM

1.83

-10.07

-8.24
11 FPEMPFFP

1.99

-10.18

-8.19
12 RPEMPFMP

1.94

-10.08

-8.14
13 RPEMPWFP

1.02

-9.08

-8.06
14 RPDMPPMP

1.92

-9.94

-8.02
15 RPEMPWMP

1.92

-9.87

-7.95
16 FPEMPPMM

1.38

-9.31

-7.93
17 FPEMPFFM

1.88

-9.75

-7.87
18 RPDMPFFP

1.91

-9.77

-7.86
19 FPWMPPFP

1.69

-9.5

-7.81
20 FPWMPPMP

1.93

-9.71

-7.78
21 RPEMPFFM

1.86

-9.57

-7.71
22 FPDMPPFP

1.93

-9.59

-7.66
23 RPEMPPFP

1.85

-9.45

-7.6
24 RPDMPPFM

1.81

-9.4

-7.59
25 FPEMPPFK

1.7

-9.24

-7.54
26 FPEMPPFP

1.99

-9.53

-7.54
27 RPEMPPFK

1.77

-9.16

-7.39
28 RPWMPPFP

1.95

-9.26

-7.31
29 FPEMPPFM

1.77

-8.94

-7.17
30 FPEMPWFP

2.43

-8.58

-6.15

 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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