Predicted ligand sequences (modelled structure)


ADAN-name: BUD14_1CKB-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 11.062 ΔGbinding -1.639
TOTAL
 9.423
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.700
Van der Waals -3.285 Backbone clash 0.012
Electrostatics 0.181 Helix dipole 0.000
Solvation Polar 4.315 Water bridges -0.010
Solvation Hyd -4.538 Disulfide 0.000
VdW clashes 0.016 Electrost. Kon 0.292
Entropy sc 0.391 Part.cov.bonds 0.000
Entropy mc

2.074

 ΔGstability

36.367
       

Predicted ligand sequences for model [BUD14_1CKB-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).
 
  BUD14_1CKB-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRMRRMRPQ 0.0
2 RRMRRMRPQ 0.04
3 SRMRRMRPQ 0.07
4 KKMRRMRPQ 0.08
5 KRMREMRPQ 0.08
6 KEMRRMRPQ 0.09
7 REMRRMRPQ 0.12
8 RRMREMRPQ 0.12
9 RKMRRMRPQ 0.12
10 SKMRRMRPQ 0.15
11 SRMREMRPQ 0.15
12 SEMRRMRPQ 0.15
13 KRERRMRPQ 0.16
14 KEMREMRPQ 0.17
15 KKMREMRPQ 0.17
16 KRWRRMRPQ 0.17
17 RRERRMRPQ 0.2
18 REMREMRPQ 0.21
19 RKMREMRPQ 0.21
20 RRWRRMRPQ 0.21
21 SRERRMRPQ 0.23
22 SKMREMRPQ 0.23
23 KREREMRPQ 0.24
24 KKERRMRPQ 0.24
25 SEMREMRPQ 0.24
26 SRWRRMRPQ 0.24
27 KEERRMRPQ 0.25
28 KKWRRMRPQ 0.26
29 KEWRRMRPQ 0.26
30 KRWREMRPQ 0.26
31 RREREMRPQ 0.28
32 REERRMRPQ 0.28
33 RKERRMRPQ 0.28
34 RKWRRMRPQ 0.3
35 RRWREMRPQ 0.3
36 KRMRPMRPQ 0.3
37 REWRRMRPQ 0.3
38 KRMRRMRRQ 0.3
39 SKERRMRPQ 0.31
40 SEERRMRPQ 0.31
41 SREREMRPQ 0.31
42 SKWRRMRPQ 0.32
43 SEWRRMRPQ 0.33
44 KKEREMRPQ 0.33
45 SRWREMRPQ 0.33
46 RRMRPMRPQ 0.33
47 KEEREMRPQ 0.33
48 KKWREMRPQ 0.34
49 KRMRRLRPQ 0.34
50 RRMRRMRRQ 0.34
51 KEWREMRPQ 0.35
52 SRMRPMRPQ 0.36
53 RKEREMRPQ 0.36
54 REEREMRPQ 0.37
55 SRMRRMRRQ 0.37
56 RRMRRLRPQ 0.38
57 RKWREMRPQ 0.38
58 REWREMRPQ 0.38
59 KKMRPMRPQ 0.38
60 KEMRPMRPQ 0.38
61 KEMRRMRRQ 0.39
62 SKEREMRPQ 0.39
63 KKMRRMRRQ 0.39
64 KRMREMRRQ 0.39
65 SEEREMRPQ 0.4
66 SEWREMRPQ 0.41
67 SRMRRLRPQ 0.41
68 SKWREMRPQ 0.41
69 REMRPMRPQ 0.42
70 RKMRPMRPQ 0.42
71 KRMRRMRSQ 0.42
72 RRMREMRRQ 0.43
73 RKMRRMRRQ 0.43
74 KEMRRLRPQ 0.43
75 KRMRELRPQ 0.43
76 KKMRRLRPQ 0.43
77 REMRRMRRQ 0.43
78 SKMRPMRPQ 0.45
79 KRMRRMWPQ 0.45
80 SKMRRMRRQ 0.45
81 SEMRPMRPQ 0.45
82 RRMRRMRSQ 0.46
83 KRERRMRRQ 0.46
84 RKMRRLRPQ 0.46
85 KRERPMRPQ 0.46
86 SEMRRMRRQ 0.46
87 SRMREMRRQ 0.46
88 REMRRLRPQ 0.47
89 KRWRPMRPQ 0.47
90 KKMREMRRQ 0.47
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SRERRMRPQ

3.49

-9.06

-5.57
2 SRWRRMRPQ

4.13

-9.4

-5.27
3 RKMREMRPQ

3.47

-8.7

-5.23
4 KEMRRMRPQ

3.27

-8.43

-5.16
5 KKMRRMRPQ

3.12

-8.2

-5.08
6 KRMRRMRPQ

3.26

-8.17

-4.91
7 RKMRRMRPQ

3.58

-8.32

-4.74
8 RRMRRMRPQ

3.72

-8.38

-4.66
9 KEMREMRPQ

3.33

-7.8

-4.47
10 KRWRRMRPQ

3.77

-8.0

-4.23
11 SEMREMRPQ

3.53

-7.58

-4.05
12 RRMREMRPQ

4.93

-8.58

-3.65
13 REMREMRPQ

4.92

-8.47

-3.55
14 SRMRRMRPQ

5.48

-8.99

-3.51
15 RRWRRMRPQ

3.96

-7.31

-3.35
16 RRERRMRPQ

5.28

-8.52

-3.24
17 KRERRMRPQ

5.25

-8.42

-3.17
18 KKWRRMRPQ

3.99

-7.06

-3.07
19 SKMREMRPQ

5.41

-8.42

-3.01
20 SRMREMRPQ

5.18

-8.18

-3.0
21 KKMREMRPQ

5.21

-7.82

-2.61
22 SEMRRMRPQ

5.54

-8.12

-2.58
23 KRMREMRPQ

4.9

-7.15

-2.25
24 SKMRRMRPQ

4.17

-6.41

-2.24
25 KKERRMRPQ

5.21

-7.25

-2.04
26 REMRRMRPQ

5.12

-7.12

-2.0
27 KREREMRPQ

5.25

-7.21

-1.96
28 KEWRRMRPQ

4.96

-6.77

-1.81
29 KEERRMRPQ

4.77

-6.52

-1.75
30 KRWREMRPQ

5.53

-5.65

-0.12

 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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