Predicted ligand sequences


ADAN-name: 1UTI2.PDB (view again the scoring matrix)

PDB name: [1UTI.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G Q P P L V P P R K E K M R G K
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
poly-Ala
G
A
 A
A
A
A
 A
A
A
A
 A
A
 A
A
G
 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 2.962 ΔGbinding -21.330
TOTAL
 -18.368
Backbone Hb -2.050 Cis_bond 0.000
Sidechain Hb -9.270 Torsional clash 0.570
Van der Waals -12.330 Backbone clash 1.590
Electrostatics -5.850 Helix dipole 0.000
Solvation Polar 16.220 Water bridges -0.930
Solvation Hyd -14.980 Disulfide 0.000
VdW clashes 1.470 Electrost. Kon -3.020
Entropy sc 7.010 Part.cov.bonds 0.000
Entropy mc

1.820

 ΔGstability

-4.410
       

Predicted ligand sequences for template [1UTI2.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).
 
  1UTI2.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRPHRFTRKKRRKRQ 0.0
2 RRRPHRFTRKKRRKHQ 0.0
3 RRRPHRFTRKKRRKRE 0.02
4 RRRPARFTRKKRRKHQ 0.02
5 RRRPGRFTRKKRRKHQ 0.02
6 RRRPGRFTRKKRRKRQ 0.02
7 HRRPHRFTRKKRRKHQ 0.02
8 RRRPHRFTRKKRRKHE 0.02
9 RRRPARFTRKKRRKRQ 0.02
10 HRRPHRFTRKKRRKRQ 0.02
11 RRRPHRFTRKKRRKPQ 0.02
12 RRRPHRFTRKERRKRQ 0.03
13 RRRPHRFTRKCRRKHQ 0.03
14 RRRPHRFTRKERRKHQ 0.03
15 RRRPHRFTRKCRRKRQ 0.03
16 RRRPARFTRKKRRKHE 0.04
17 HRRPARFTRKKRRKHQ 0.04
18 RRRPGRFTRKKRRKHE 0.04
19 HRRPGRFTRKKRRKHQ 0.04
20 RRRPHRFSRKKRRKRQ 0.04
21 RRRPGRFTRKKRRKRE 0.04
22 RRRPGRFTRKKRRKPQ 0.04
23 HRRPHRFTRKKRRKHE 0.04
24 HRRPGRFTRKKRRKRQ 0.04
25 HRRPARFTRKKRRKRQ 0.04
26 HRRPHRFTRKKRRKRE 0.04
27 RRRPARFTRKKRRKPQ 0.04
28 RRRPHRFSRKKRRKHQ 0.04
29 RRRPARFTRKKRRKRE 0.04
30 RRRPHRFTRKKRRKPE 0.04
31 HRRPHRFTRKKRRKPQ 0.04
32 RRRPARFTRKERRKHQ 0.05
33 RRRPARFTRKCRRKHQ 0.05
34 RRRPARFTRKERRKRQ 0.05
35 RRRPHRFTRKERRKRE 0.05
36 RRRPHRFTRKERRKPQ 0.05
37 RRRPGRFTRKERRKHQ 0.05
38 RRRPHRFTRKCRRKHE 0.05
39 HRRPHRFTRKERRKHQ 0.05
40 HRRPHRFTRKCRRKHQ 0.05
41 RRRPGRFTRKCRRKHQ 0.05
42 HRRPHRFTRKCRRKRQ 0.05
43 RRRPHRFTRKERRKHE 0.05
44 RRRPGRFTRKCRRKRQ 0.05
45 HRRPHRFTRKERRKRQ 0.05
46 RRRPGRFTRKERRKRQ 0.05
47 RRRPARFTRKCRRKRQ 0.05
48 RRRPHRFTRKCRRKPQ 0.05
49 RRRPHRFTRKCRRKRE 0.05
50 HRRPARFTRKKRRKHE 0.06
51 HRRPGRFTRKKRRKHE 0.06
52 RRRPGRFTRKKRRKPE 0.06
53 HRRPGRFTRKKRRKPQ 0.06
54 HRRPGRFTRKKRRKRE 0.06
55 HRRPARFTRKKRRKRE 0.06
56 KRRPHRFTRKKRRKHQ 0.06
57 RRRPARFTRKKRRKPE 0.06
58 HRRPARFTRKKRRKPQ 0.06
59 KRRPHRFTRKKRRKRQ 0.06
60 HRRPHRFTRKKRRKPE 0.06
61 RRRPARFTRKERRKHE 0.07
62 HRRPGRFTRKCRRKRQ 0.07
63 RRRPHRFSRKCRRKRQ 0.07
64 HRRPGRFTRKCRRKHQ 0.07
65 HRRPARFTRKCRRKHQ 0.07
66 RRRPHRFSRKKRRKPQ 0.07
67 RRRPARFTRKERRKRE 0.07
68 RRRPHRFSRKKRRKRE 0.07
69 RRRPARFTRKERRKPQ 0.07
70 HRRPARFTRKCRRKRQ 0.07
71 RRRPGRFSRKKRRKRQ 0.07
72 RRRPHRFTRKERRKPE 0.07
73 RRRPGRFTRKERRKHE 0.07
74 HRRPHRFTRKERRKPQ 0.07
75 HRRPHRFTRKERRKHE 0.07
76 HRRPHRFTRKCRRKHE 0.07
77 RRRPHRFSRKERRKHQ 0.07
78 RRRPGRFTRKCRRKHE 0.07
79 HRRPARFTRKERRKHQ 0.07
80 RRRPARFSRKKRRKHQ 0.07
81 HRRPHRFTRKCRRKRE 0.07
82 RRRPHRFSRKCRRKHQ 0.07
83 HRRPHRFSRKKRRKHQ 0.07
84 RRRPHRFSRKKRRKHE 0.07
85 HRRPHRFTRKCRRKPQ 0.07
86 RRRPARFTRKCRRKHE 0.07
87 HRRPARFTRKERRKRQ 0.07
88 RRRPGRFTRKCRRKRE 0.07
89 RRRPARFSRKKRRKRQ 0.07
90 HRRPHRFTRKERRKRE 0.07
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRRPHRFTRKKRRKRE

3.73

-25.38

-21.65
2 RRRPARFTRKKRRKRE

2.32

-22.31

-19.99
3 RRRPGRFTRKKRRKRE

2.09

-21.29

-19.2
4 HRRPGRFTRKKRRKHQ

2.16

-20.87

-18.71
5 HRRPHRFTRKKRRKRE

4.17

-22.63

-18.46
6 RRRPHRFTRKKRRKRQ

2.89

-21.28

-18.39
7 RRRPHRFTRKKRRKHE

3.94

-22.25

-18.31
8 RRRPGRFTRKKRRKRQ

3.42

-21.5

-18.08
9 HRRPHRFTRKKRRKHE

2.22

-19.85

-17.63
10 RRRPGRFTRKKRRKHE

2.26

-19.81

-17.55
11 RRRPHRFTRKCRRKHQ

2.77

-19.75

-16.98
12 RRRPARFTRKKRRKRQ

2.72

-19.66

-16.94
13 RRRPHRFTRKCRRKRQ

2.65

-19.18

-16.53
14 RRRPHRFSRKKRRKRQ

2.69

-19.19

-16.5
15 RRRPHRFSRKKRRKHQ

2.95

-19.41

-16.46
16 RRRPARFTRKKRRKHQ

2.47

-18.87

-16.4
17 RRRPHRFTRKKRRKPE

3.75

-19.98

-16.23
18 RRRPGRFTRKKRRKHQ

2.8

-18.91

-16.11
19 RRRPHRFTRKKRRKHQ

3.59

-19.67

-16.08
20 HRRPARFTRKKRRKRQ

2.85

-18.68

-15.83
21 RRRPGRFTRKKRRKPQ

3.67

-19.26

-15.59
22 HRRPGRFTRKKRRKRQ

2.56

-18.12

-15.56
23 RRRPHRFTRKERRKHQ

2.96

-18.15

-15.19
24 RRRPHRFTRKKRRKPQ

4.41

-19.55

-15.14
25 RRRPARFTRKKRRKHE

3.38

-18.43

-15.05
26 HRRPARFTRKKRRKHQ

2.86

-17.9

-15.04
27 RRRPHRFTRKERRKRQ

3.08

-17.37

-14.29
28 HRRPHRFTRKKRRKHQ

3.36

-17.55

-14.19
29 HRRPHRFTRKKRRKRQ

2.37

-15.79

-13.42
30 RRRPARFTRKKRRKPQ

5.09

-18.14

-13.05

 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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