Predicted ligand sequences


ADAN-name: 1UKI2.PDB (view again the scoring matrix)

PDB name: [1UKI.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P K R P T T L N L F
position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
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 7.208 ΔGbinding -14.420
TOTAL
 -7.212
Backbone Hb -0.888 Cis_bond 0.000
Sidechain Hb -7.625 Torsional clash 1.560
Van der Waals -10.427 Backbone clash 1.227
Electrostatics -1.617 Helix dipole -0.001
Solvation Polar 10.593 Water bridges -0.406
Solvation Hyd -15.222 Disulfide 0.000
VdW clashes 0.967 Electrost. Kon -1.090
Entropy sc 5.309 Part.cov.bonds 0.000
Entropy mc

4.426

 ΔGstability

191.371
       

Predicted ligand sequences for template [1UKI2.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).
 
  1UKI2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRRPRSLyRR 0.0
2 KRRPRSLyRK 0.01
3 KKRPRSLyRR 0.05
4 KKRPRSLyRK 0.06
5 RRRPRSLyRR 0.06
6 RRRPRSLyRK 0.08
7 RKRPRSLyRR 0.11
8 RKRPRSLyRK 0.12
9 KWRPRSLyRR 0.14
10 KRRPKSLyRR 0.16
11 KRRPRSLyRH 0.16
12 KWRPRSLyRK 0.16
13 KRRPKSLyRK 0.17
14 RWRPRSLyRR 0.2
15 KKRPKSLyRR 0.2
16 KKRPRSLyRH 0.21
17 KRRPHSLyRR 0.22
18 RRRPRSLyRH 0.22
19 RRRPKSLyRR 0.22
20 RWRPRSLyRK 0.22
21 KKRPKSLyRK 0.22
22 KRRPHSLyRK 0.23
23 RRRPKSLyRK 0.23
24 KRRPRSLRRR 0.23
25 IRRPRSLyRR 0.24
26 IRRPRSLyRK 0.25
27 KRRPRSLRRK 0.25
28 KKRPHSLyRR 0.26
29 RKRPKSLyRR 0.27
30 KRRPRSLKRR 0.27
31 RKRPRSLyRH 0.27
32 IKRPRSLyRR 0.28
33 KKRPHSLyRK 0.28
34 RKRPKSLyRK 0.28
35 RRRPHSLyRR 0.28
36 KRRPRSLKRK 0.28
37 KKRPRSLRRR 0.28
38 RRRPRSLRRR 0.29
39 RRRPHSLyRK 0.29
40 KKRPRSLRRK 0.29
41 IKRPRSLyRK 0.3
42 KWRPRSLyRH 0.3
43 KWRPKSLyRR 0.3
44 RRRPRSLRRK 0.31
45 KKRPRSLKRR 0.31
46 KWRPKSLyRK 0.31
47 KRRPKSLyRH 0.32
48 KKRPRSLKRK 0.33
49 RKRPHSLyRR 0.33
50 RRRPRSLKRR 0.33
51 RKRPHSLyRK 0.34
52 RKRPRSLRRR 0.34
53 RRRPRSLKRK 0.34
54 RKRPRSLRRK 0.35
55 KWRPHSLyRR 0.36
56 RWRPKSLyRR 0.36
57 RWRPRSLyRH 0.36
58 KWRPHSLyRK 0.37
59 KWRPRSLRRR 0.37
60 KKRPKSLyRH 0.37
61 KRRPRSLyLR 0.37
62 IWRPRSLyRR 0.38
63 KRRPHSLyRH 0.38
64 RRRPKSLyRH 0.38
65 RWRPKSLyRK 0.38
66 RKRPRSLKRR 0.38
67 KWRPRSLRRK 0.39
68 KRRPKSLRRR 0.39
69 RKRPRSLKRK 0.39
70 KRRPRSLyLK 0.39
71 IWRPRSLyRK 0.4
72 IRRPRSLyRH 0.4
73 IRRPKSLyRR 0.4
74 KRRPRSLRRH 0.4
75 KRRPKSLRRK 0.41
76 KWRPRSLKRR 0.41
77 IRRPKSLyRK 0.41
78 KKRPRSLyLR 0.42
79 RWRPHSLyRR 0.42
80 KWRPRSLKRK 0.42
81 KKRPHSLyRH 0.43
82 RWRPRSLRRR 0.43
83 RKRPKSLyRH 0.43
84 KRRPKSLKRR 0.43
85 KRRPRNLyRR 0.43
86 KRRPRSLKRH 0.43
87 KKRPRSLyLK 0.44
88 KKRPKSLRRR 0.44
89 KRRPKSLKRK 0.44
90 RRRPHSLyRH 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KRRPHSLyRR

4.67

-18.92

-14.25
2 RKRPKSLyRR

4.43

-18.46

-14.03
3 KWRPRSLyRR

4.5

-18.25

-13.75
4 KRRPRSLyRR

4.89

-18.47

-13.58
5 KKRPRSLyRK

4.44

-18.01

-13.57
6 RKRPRSLyRK

4.41

-17.95

-13.54
7 KKRPRSLyRR

4.44

-17.95

-13.51
8 KRRPRSLRRR

4.63

-18.03

-13.4
9 RRRPRSLyRK

4.57

-17.9

-13.33
10 KKRPRSLyRH

4.45

-17.64

-13.19
11 KKRPHSLyRR

4.48

-17.64

-13.16
12 KKRPKSLyRR

4.44

-17.57

-13.13
13 KKRPKSLyRK

4.42

-17.51

-13.09
14 RWRPRSLyRR

4.49

-17.55

-13.06
15 RRRPKSLyRK

4.44

-17.5

-13.06
16 RWRPRSLyRK

4.68

-17.62

-12.94
17 KWRPRSLyRK

4.52

-17.44

-12.92
18 KRRPRSLyRH

4.49

-17.35

-12.86
19 KRRPKSLyRK

4.41

-17.23

-12.82
20 IRRPRSLyRR

4.53

-17.27

-12.74
21 KRRPHSLyRK

4.42

-17.09

-12.67
22 KRRPRSLyRK

4.45

-17.04

-12.59
23 KRRPKSLyRR

4.54

-17.0

-12.46
24 RKRPRSLyRR

4.52

-16.73

-12.21
25 RRRPRSLyRR

4.5

-16.4

-11.9
26 IRRPRSLyRK

4.52

-16.29

-11.77
27 RRRPKSLyRR

4.51

-15.72

-11.21
28 KRRPRSLRRK

4.53

-15.52

-10.99
29 RRRPRSLyRH

4.55

-15.09

-10.54
30 KRRPRSLKRR

4.57

-15.03

-10.46

 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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