Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-19.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
G
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 1.329 ΔGbinding 2.200
TOTAL
 3.529
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.270
Van der Waals -4.641 Backbone clash 0.025
Electrostatics 0.263 Helix dipole 0.000
Solvation Polar 4.637 Water bridges -0.023
Solvation Hyd -6.842 Disulfide 0.000
VdW clashes 3.105 Electrost. Kon 0.270
Entropy sc 0.575 Part.cov.bonds 0.000
Entropy mc

4.585

 ΔGstability

21.581
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-19.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).
 
  SLA1-D3_1Z9Z-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRKKPGRHW 0.0
2 RRRKPGRHW 0.02
3 RRKKPGRHL 0.03
4 RRKKNGRHW 0.03
5 RRRKNGRHW 0.05
6 RRRKPGRHL 0.05
7 RRKKNGRHL 0.06
8 RRRKNGRHL 0.08
9 RRKKHGRHW 0.18
10 RRRKHGRHW 0.2
11 RRKKHGRHL 0.21
12 RRRKHGRHL 0.23
13 RRKKPGYHW 0.24
14 RRKKPGRHI 0.25
15 RRRKPGYHW 0.26
16 RRKKNGYHW 0.27
17 RRFKPGRHW 0.27
18 RRRKPGRHI 0.27
19 RRKKPGYHL 0.28
20 RRKKNGRHI 0.28
21 RRRKNGYHW 0.29
22 RRRKNGRHI 0.3
23 RRFKNGRHW 0.3
24 RRRKPGYHL 0.3
25 RRFKPGRHL 0.31
26 RRKKNGYHL 0.31
27 RRRKNGYHL 0.32
28 RRFKNGRHL 0.33
29 RRKKPGRRW 0.34
30 RKKKPGRHW 0.34
31 RRRKPGRRW 0.36
32 RKRKPGRHW 0.36
33 RRKKPGRRL 0.37
34 RRKKNGRRW 0.37
35 RKKKPGRHL 0.37
36 RKKKNGRHW 0.37
37 RRKRPGRHW 0.38
38 RRRKPGRRL 0.39
39 RKRKNGRHW 0.39
40 RKRKPGRHL 0.39
41 RRRKNGRRW 0.39
42 RRRRPGRHW 0.4
43 RRKKNGRRL 0.4
44 RKKKNGRHL 0.4
45 RRKRNGRHW 0.41
46 RRKMPGRHW 0.41
47 RRKKHGYHW 0.42
48 RKRKNGRHL 0.42
49 RRKRPGRHL 0.42
50 RRRKNGRRL 0.42
51 RRKKPGRKW 0.43
52 RRKKHGRHI 0.43
53 RRRRNGRHW 0.43
54 RRRMPGRHW 0.43
55 RRRRPGRHL 0.44
56 RRKRNGRHL 0.44
57 RRKMNGRHW 0.44
58 RRRKHGYHW 0.44
59 RRFKHGRHW 0.45
60 ARKKPGRHW 0.45
61 RRRKHGRHI 0.45
62 RRRKPGRKW 0.45
63 RRKMPGRHL 0.45
64 RRKKPGRKL 0.46
65 RRRMNGRHW 0.46
66 RRRRNGRHL 0.46
67 RRKKHGYHL 0.46
68 RRKKNGRKW 0.46
69 ARRKPGRHW 0.47
70 RRKMNGRHL 0.47
71 RRRMPGRHL 0.47
72 RRFKHGRHL 0.48
73 RRRKNGRKW 0.48
74 ARKKNGRHW 0.48
75 ARKKPGRHL 0.48
76 RRRKPGRKL 0.48
77 RRRKHGYHL 0.48
78 ARRKNGRHW 0.49
79 RRRMNGRHL 0.49
80 RRKKNGRKL 0.49
81 ARRKPGRHL 0.5
82 RRKKPGYHI 0.5
83 RRRKNGRKL 0.51
84 ARKKNGRHL 0.51
85 RRFKPGYHW 0.51
86 RRFKPGRHI 0.52
87 RKKKHGRHW 0.52
88 RRKKNGYHI 0.52
89 RRRKPGYHI 0.52
90 RRKKHGRRW 0.52
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRFKNGRHL

4.28

-8.82

-4.54
2 RRRKPGRHL

4.38

-8.81

-4.43
3 RRRKPGRHW

4.14

-8.43

-4.29
4 RRKKPGRHL

4.22

-8.5

-4.28
5 RRRKNGRHW

4.98

-9.17

-4.19
6 RRKKNGRHW

4.83

-9.02

-4.19
7 RRKKNGRHL

4.48

-8.58

-4.1
8 RRRKHGRHL

4.39

-8.29

-3.9
9 RRFKPGRHW

4.38

-8.24

-3.86
10 RRRKNGRHL

4.8

-8.65

-3.85
11 RRFKPGRHL

4.94

-8.71

-3.77
12 RRKKPGRHW

4.36

-7.95

-3.59
13 RRKKPGRHI

4.08

-7.67

-3.59
14 RRKKNGRHI

4.43

-7.88

-3.45
15 RRRKNGRHI

4.55

-7.97

-3.42
16 RRRKNGYHL

4.94

-8.35

-3.41
17 RRKKNGYHL

4.52

-7.91

-3.39
18 RKKKPGRHW

4.4

-7.78

-3.38
19 RRRKNGYHW

4.62

-7.98

-3.36
20 RRRKHGRHW

4.63

-7.88

-3.25
21 RRKKHGRHW

4.14

-7.35

-3.21
22 RRFKNGRHW

4.88

-7.91

-3.03
23 RRRKPGRHI

4.32

-7.23

-2.91
24 RRRKPGYHW

4.21

-7.11

-2.9
25 RRKKPGRRW

4.98

-7.75

-2.77
26 RRKKHGRHL

4.6

-7.3

-2.7
27 RRKKNGYHW

4.82

-7.43

-2.61
28 RRRKPGYHL

5.23

-7.66

-2.43
29 RRKKPGYHW

4.38

-6.69

-2.31
30 RRKKPGYHL

4.2

-6.04

-1.84

 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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