Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-7.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 G 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 5.261 ΔGbinding -1.623
TOTAL
 3.638
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.230
Van der Waals -2.306 Backbone clash 0.019
Electrostatics 0.172 Helix dipole 0.000
Solvation Polar 2.015 Water bridges 0.000
Solvation Hyd -3.563 Disulfide 0.000
VdW clashes 0.084 Electrost. Kon 0.251
Entropy sc 0.103 Part.cov.bonds 0.000
Entropy mc

1.390

 ΔGstability

33.565
       

Predicted ligand sequences for model [BUD14_1CKB-7.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).
 
  BUD14_1CKB-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 WRDMMPWW 0.0
2 WRPMMPWW 0.01
3 WRDMMFWW 0.02
4 WRPMMFWW 0.03
5 WKDMMPWW 0.06
6 WRDMPPWW 0.07
7 WKPMMPWW 0.07
8 WKPMMFWW 0.08
9 WRPMPPWW 0.08
10 WKDMMFWW 0.08
11 WRDMPFWW 0.09
12 WRPMPFWW 0.1
13 WRPMMPWR 0.11
14 WRDMMPWR 0.11
15 WRDMMFWR 0.12
16 WRRMMPWW 0.12
17 WRPMMFWR 0.13
18 WKDMPPWW 0.13
19 WRRMMFWW 0.14
20 WKPMPPWW 0.14
21 WRPMMPQW 0.15
22 WKPMPFWW 0.15
23 WRDMMPQW 0.15
24 WKDMPFWW 0.15
25 WRDMMFQW 0.16
26 WKDMMPWR 0.16
27 WRDMMYWW 0.16
28 WRPMMFQW 0.17
29 WKPMMPWR 0.17
30 WRPMMYWW 0.17
31 WKRMMPWW 0.18
32 WRDMPPWR 0.18
33 WRPMPPWR 0.18
34 WKDMMFWR 0.18
35 WKPMMFWR 0.19
36 WKRMMFWW 0.19
37 WRRMPPWW 0.19
38 WRPMPFWR 0.2
39 WRDMLPWW 0.2
40 WRDMPFWR 0.2
41 WKDMMPQW 0.2
42 WKPMMPQW 0.21
43 WRPMLPWW 0.21
44 WRRMPFWW 0.21
45 WRDMLFWW 0.22
46 WRDMPPQW 0.22
47 WKDMMFQW 0.22
48 WRRMMPWR 0.22
49 WRPMPPQW 0.22
50 WKDMMYWW 0.22
51 WKPMMYWW 0.23
52 WRDMPFQW 0.23
53 WRPMLFWW 0.23
54 WKDMPPWR 0.23
55 WKPMMFQW 0.23
56 WRDMPYWW 0.23
57 WRRMMFWR 0.24
58 WRPMPFQW 0.24
59 WRPMPYWW 0.24
60 WKPMPPWR 0.24
61 WRDMMPQR 0.25
62 WKDMPFWR 0.25
63 WKRMPPWW 0.25
64 WRPMMPQR 0.26
65 WKDMLPWW 0.26
66 WKPMPFWR 0.26
67 WRRMMPQW 0.26
68 WRDMMFQR 0.27
69 WRDMMYWR 0.27
70 WKPMLPWW 0.27
71 WKRMPFWW 0.27
72 WRRMMFQW 0.28
73 WKRMMPWR 0.28
74 WKPMPPQW 0.28
75 WRPMMFQR 0.28
76 WRRMMYWW 0.28
77 WKDMPPQW 0.28
78 WKDMLFWW 0.28
79 WRPMMYWR 0.28
80 WKPMLFWW 0.29
81 WKDMPFQW 0.29
82 WRRMPPWR 0.29
83 WKDMPYWW 0.29
84 WKRMMFWR 0.3
85 WKPMPFQW 0.3
86 WKPMPYWW 0.3
87 WRDMLPWR 0.31
88 WKDMMPQR 0.31
89 WRRMPFWR 0.31
90 WRDMMYQW 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WRPMPPWW

3.87

-8.12

-4.25
2 WRPMPFWW

4.59

-8.72

-4.13
3 WRDMMPWR

4.85

-8.92

-4.07
4 WRDMPPWW

4.34

-8.26

-3.92
5 WKPMMPWW

4.57

-8.3

-3.73
6 WRPMMPWR

4.41

-8.06

-3.65
7 WKDMPFWW

4.0

-7.6

-3.6
8 WRPMMPWW

4.48

-7.72

-3.24
9 WRDMPFWW

3.88

-7.08

-3.2
10 WKDMMPWW

4.49

-7.64

-3.15
11 WKPMPPWW

3.58

-6.18

-2.6
12 WKDMMPWR

4.56

-7.1

-2.54
13 WKPMMPWR

3.6

-6.05

-2.45
14 WKPMPFWW

5.03

-7.36

-2.33
15 WRRMMFWW

4.33

-6.54

-2.21
16 WKDMPPWW

3.38

-5.56

-2.18
17 WRRMMPWW

4.09

-6.12

-2.03
18 WRDMMPQW

3.91

-5.8

-1.89
19 WRDMMPWW

3.61

-5.38

-1.77
20 WRPMMYWW

4.58

-6.35

-1.77
21 WRDMMFWR

4.65

-5.96

-1.31
22 WRDMMYWW

4.45

-5.65

-1.2
23 WKPMMFWW

4.33

-5.49

-1.16
24 WRDMMFWW

4.32

-5.24

-0.92
25 WRPMMFWR

4.64

-5.49

-0.85
26 WKDMMFWW

4.71

-4.75

-0.04
27 WRPMMPQW

4.1

-4.01

0.09
28 WRDMMFQW

4.02

-3.68

0.34
29 WRPMMFWW

4.29

-3.88

0.41
30 WRPMMFQW

4.12

-3.37

0.75

 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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