Predicted ligand sequences (modelled structure)


ADAN-name: CDC25_KJW-FYN-26.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 3.476 ΔGbinding -2.258
TOTAL
 1.218
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.636
Van der Waals -3.271 Backbone clash 0.000
Electrostatics 0.011 Helix dipole 0.000
Solvation Polar 2.843 Water bridges -0.053
Solvation Hyd -4.854 Disulfide 0.000
VdW clashes 0.051 Electrost. Kon 0.005
Entropy sc 0.118 Part.cov.bonds 0.000
Entropy mc

2.255

 ΔGstability

86.183
       

Predicted ligand sequences for model [CDC25_KJW-FYN-26.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-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 NDRPRIMPW 0.0
2 NDRPRIHPW 0.04
3 NERPRIMPW 0.04
4 NDPPRIMPW 0.07
5 NERPRIHPW 0.08
6 NEPPRIMPW 0.1
7 NDPPRIHPW 0.11
8 NDIPRIMPW 0.11
9 NDRPRIMEW 0.13
10 NDRPEIMPW 0.13
11 NDRPPIMPW 0.14
12 NEPPRIHPW 0.14
13 NEIPRIMPW 0.15
14 NDIPRIHPW 0.15
15 NDRPRIHEW 0.17
16 NERPEIMPW 0.17
17 NDRPEIHPW 0.17
18 NERPRIMEW 0.17
19 NERPPIMPW 0.18
20 NDRPPIHPW 0.18
21 EDRPRIMPW 0.18
22 NEIPRIHPW 0.19
23 NDPPRIMEW 0.2
24 NDPPEIMPW 0.2
25 NERPRIHEW 0.21
26 NERPEIHPW 0.21
27 NDPPPIMPW 0.21
28 NERPPIHPW 0.22
29 EERPRIMPW 0.22
30 EDRPRIHPW 0.22
31 NEPPRIMEW 0.23
32 NDIPRIMEW 0.24
33 NEPPPIMPW 0.24
34 EDPPRIMPW 0.24
35 NEPPEIMPW 0.24
36 NDPPRIHEW 0.24
37 NDPPEIHPW 0.24
38 NDIPEIMPW 0.24
39 NDIPPIMPW 0.25
40 NDPPPIHPW 0.25
41 NDRPEIMEW 0.26
42 EERPRIHPW 0.26
43 NDRPPIMEW 0.27
44 NEPPRIHEW 0.27
45 NDIPRIHEW 0.28
46 NEPPEIHPW 0.28
47 EDPPRIHPW 0.28
48 NDIPEIHPW 0.28
49 NEPPPIHPW 0.28
50 EEPPRIMPW 0.28
51 NEIPRIMEW 0.28
52 NEIPEIMPW 0.28
53 EDIPRIMPW 0.29
54 NDIPPIHPW 0.29
55 NEIPPIMPW 0.29
56 NDRPRIMRW 0.3
57 NDRPEIHEW 0.3
58 NERPEIMEW 0.3
59 EDRPRIMEW 0.31
60 EDRPEIMPW 0.31
61 NDRPPIHEW 0.31
62 NERPPIMEW 0.31
63 SDRPRIMPW 0.31
64 NEIPEIHPW 0.32
65 NEIPRIHEW 0.32
66 EDRPPIMPW 0.32
67 NDRFRIMPW 0.32
68 EEPPRIHPW 0.32
69 EDIPRIHPW 0.33
70 NEIPPIHPW 0.33
71 NDPPEIMEW 0.33
72 EEIPRIMPW 0.33
73 NDRPRIHRW 0.34
74 NERPEIHEW 0.34
75 NDPPPIMEW 0.34
76 NERPRIMRW 0.34
77 NDRDRIMPW 0.34
78 SDRPRIHPW 0.35
79 EDRPRIHEW 0.35
80 SERPRIMPW 0.35
81 EERPEIMPW 0.35
82 EDRPEIHPW 0.35
83 NERPPIHEW 0.35
84 EERPRIMEW 0.35
85 EDRPPIHPW 0.36
86 NDRFRIHPW 0.36
87 EERPPIMPW 0.36
88 NERFRIMPW 0.36
89 EEIPRIHPW 0.37
90 NEPPPIMEW 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 NDPPRIMEW

4.15

-9.53

-5.38
2 NERPEIMPW

3.45

-8.81

-5.36
3 NDPPEIMPW

4.16

-8.97

-4.81
4 NEPPRIMPW

4.23

-8.91

-4.68
5 NDIPRIMPW

3.98

-8.65

-4.67
6 NDRPRIMPW

3.98

-8.47

-4.49
7 NDPPPIMPW

4.38

-8.87

-4.49
8 NDPPRIMPW

4.56

-9.03

-4.47
9 NEIPRIMPW

4.55

-8.86

-4.31
10 NERPRIMPW

4.5

-8.67

-4.17
11 EERPRIMPW

4.4

-8.5

-4.1
12 NDRPPIMPW

4.56

-8.33

-3.77
13 NDRPEIMPW

4.48

-8.23

-3.75
14 EDRPRIMPW

4.39

-8.1

-3.71
15 NDRPRIMEW

4.72

-8.38

-3.66
16 NERPPIMPW

5.07

-8.35

-3.28
17 NDIPRIHPW

4.12

-7.3

-3.18
18 NDRPEIHPW

3.71

-6.52

-2.81
19 NERPRIHEW

3.79

-6.48

-2.69
20 NERPRIMEW

4.36

-7.01

-2.65
21 NERPEIHPW

3.95

-6.51

-2.56
22 NEIPRIHPW

4.16

-6.66

-2.5
23 NEPPRIHPW

4.11

-6.58

-2.47
24 NDRPRIHEW

4.47

-6.73

-2.26
25 NERPPIHPW

4.28

-6.51

-2.23
26 NDRPRIHPW

4.25

-6.44

-2.19
27 NDRPPIHPW

4.26

-6.44

-2.18
28 NDPPRIHPW

4.66

-6.13

-1.47
29 EDRPRIHPW

4.72

-6.01

-1.29
30 NERPRIHPW

4.7

-5.95

-1.25

 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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