Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 5.507 ΔGbinding -1.592
TOTAL
 3.915
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.178
Van der Waals -1.463 Backbone clash 0.000
Electrostatics -0.077 Helix dipole 0.000
Solvation Polar 1.471 Water bridges -0.007
Solvation Hyd -2.354 Disulfide 0.000
VdW clashes 0.035 Electrost. Kon -0.134
Entropy sc 0.354 Part.cov.bonds 0.000
Entropy mc

1.678

 ΔGstability

27.938
       

Predicted ligand sequences for model [BUD14_1CKB-23.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-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPLFPWM 0.0
2 WPLYPWM 0.01
3 WPLFPYM 0.07
4 WPLYPYM 0.08
5 WPLFPWF 0.14
6 WPLYPWF 0.15
7 WPLFFWM 0.21
8 WPLFPYF 0.21
9 WPLYFWM 0.22
10 WPLYPYF 0.22
11 WPLRPWM 0.23
12 WPLFEWM 0.26
13 WPLFFYM 0.28
14 WPLYEWM 0.28
15 WQLFPWM 0.29
16 WPLYFYM 0.29
17 WPLRPYM 0.3
18 WRLFPWM 0.3
19 WQLYPWM 0.3
20 WRLYPWM 0.31
21 QPLFPWM 0.32
22 QPLYPWM 0.33
23 WPLFEYM 0.34
24 WPLFFWF 0.35
25 WPLYEYM 0.35
26 WPLYFWF 0.36
27 WQLFPYM 0.36
28 WRLFPYM 0.37
29 WQLYPYM 0.37
30 WPLRPWF 0.37
31 WRLYPYM 0.38
32 QPLFPYM 0.39
33 QPLYPYM 0.4
34 WPLFEWF 0.4
35 WPLYEWF 0.41
36 WQLFPWF 0.42
37 WPLFPMM 0.42
38 WPLFFYF 0.42
39 WRLFPWF 0.43
40 WPLYFYF 0.43
41 WPLFPWQ 0.44
42 WPLRPYF 0.44
43 WPLYPMM 0.44
44 WPLRFWM 0.44
45 WQLYPWF 0.44
46 WPLYPWQ 0.45
47 WRLYPWF 0.45
48 QPLFPWF 0.46
49 QPLYPWF 0.47
50 WPLFEYF 0.47
51 WPLYEYF 0.49
52 WPLREWM 0.49
53 WQLFFWM 0.49
54 WQLFPYF 0.5
55 WPLFPYQ 0.51
56 WQLYFWM 0.51
57 WRLFPYF 0.51
58 WRLFFWM 0.51
59 WQLYPYF 0.51
60 WPLRFYM 0.51
61 WQLRPWM 0.52
62 WRLYFWM 0.52
63 WRLYPYF 0.52
64 WPLYPYQ 0.52
65 QPLFFWM 0.53
66 WRLRPWM 0.53
67 QPLFPYF 0.53
68 QPLYPYF 0.54
69 QPLYFWM 0.54
70 WQLFEWM 0.55
71 QPLRPWM 0.55
72 WQLYEWM 0.56
73 WPLFPMF 0.56
74 WRLFEWM 0.56
75 WQLFFYM 0.57
76 WRLYEWM 0.57
77 WPLREYM 0.57
78 QPLFEWM 0.58
79 WQLYFYM 0.58
80 WRLFFYM 0.58
81 WPLYPMF 0.58
82 WPLRFWF 0.58
83 WRLYFYM 0.59
84 QPLYEWM 0.59
85 WQLRPYM 0.59
86 QPLFFYM 0.6
87 QQLFPWM 0.6
88 WRLRPYM 0.6
89 QPLYFYM 0.61
90 QQLYPWM 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WQLFPYM

2.3

-8.57

-6.27
2 WPLFEYM

2.79

-8.8

-6.01
3 WRLYPWM

2.79

-8.76

-5.97
4 WPLYPYF

2.54

-8.24

-5.7
5 WPLYPWF

2.79

-8.42

-5.63
6 QPLFPWM

2.73

-8.14

-5.41
7 WPLFEWM

2.98

-8.34

-5.36
8 WQLFPWM

2.7

-8.03

-5.33
9 WPLYPWM

3.35

-8.64

-5.29
10 WPLFFWF

2.69

-7.95

-5.26
11 WPLYFWM

3.32

-8.47

-5.15
12 WPLFPWF

2.54

-7.65

-5.11
13 WPLYEWM

3.66

-8.64

-4.98
14 WPLFPYF

2.88

-7.79

-4.91
15 WRLFPYM

3.22

-8.1

-4.88
16 WQLYPYM

3.49

-8.37

-4.88
17 WPLRPWF

3.45

-8.29

-4.84
18 WPLFPWM

3.18

-7.98

-4.8
19 WPLYFYM

3.54

-8.34

-4.8
20 WPLRPWM

3.49

-8.26

-4.77
21 WPLFPYM

3.23

-7.94

-4.71
22 WPLYFWF

3.76

-8.42

-4.66
23 WPLYPYM

4.09

-8.59

-4.5
24 QPLYPWM

4.12

-8.59

-4.47
25 WRLFPWM

3.39

-7.58

-4.19
26 WPLFFYM

3.69

-7.86

-4.17
27 WQLYPWM

3.86

-7.85

-3.99
28 WPLFFWM

3.58

-7.52

-3.94
29 WPLYEYM

4.23

-8.16

-3.93
30 WPLRPYM

3.96

-7.58

-3.62

 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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