Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1Z9Z-7.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
A
 G
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 0.718 ΔGbinding 2.553
TOTAL
 3.271
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.455
Van der Waals -3.839 Backbone clash 0.033
Electrostatics 0.213 Helix dipole 0.000
Solvation Polar 5.124 Water bridges 0.000
Solvation Hyd -5.107 Disulfide 0.000
VdW clashes 4.952 Electrost. Kon 0.204
Entropy sc 1.070 Part.cov.bonds 0.000
Entropy mc

2.030

 ΔGstability

18.055
       

Predicted ligand sequences for model [SLA1-D3_1Z9Z-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRPRPTWR 0.0
2 MLPRPTWR 0.07
3 MMPRPTWR 0.15
4 MRRRPTWR 0.26
5 KRPRPTWR 0.28
6 MLRRPTWR 0.33
7 KLPRPTWR 0.35
8 MMRRPTWR 0.41
9 MRKRPTWR 0.41
10 KMPRPTWR 0.43
11 MRARPTWR 0.46
12 MLKRPTWR 0.48
13 MRSRPTWR 0.48
14 MRPRPPWR 0.49
15 MLARPTWR 0.53
16 KRRRPTWR 0.54
17 MLSRPTWR 0.55
18 MPPRPTWR 0.55
19 MMKRPTWR 0.56
20 MLPRPPWR 0.56
21 MRPRPTRR 0.59
22 MKPRPTWR 0.6
23 KLRRPTWR 0.61
24 MMARPTWR 0.62
25 MMSRPTWR 0.64
26 MMPRPPWR 0.64
27 MLPRPTRR 0.67
28 KMRRPTWR 0.69
29 KRKRPTWR 0.69
30 KRARPTWR 0.74
31 MMPRPTRR 0.75
32 MRRRPPWR 0.75
33 KLKRPTWR 0.76
34 KRSRPTWR 0.76
35 KRPRPPWR 0.77
36 KLARPTWR 0.81
37 MPRRPTWR 0.81
38 MLRRPPWR 0.82
39 KPPRPTWR 0.83
40 KLSRPTWR 0.83
41 KMKRPTWR 0.84
42 KLPRPPWR 0.84
43 MRRRPTRR 0.85
44 MKRRPTWR 0.86
45 KKPRPTWR 0.87
46 KRPRPTRR 0.87
47 KMARPTWR 0.89
48 MMRRPPWR 0.9
49 MRKRPPWR 0.9
50 KMSRPTWR 0.92
51 KMPRPPWR 0.92
52 MLRRPTRR 0.93
53 KLPRPTRR 0.94
54 MRARPPWR 0.95
55 MPKRPTWR 0.96
56 MLKRPPWR 0.97
57 MRSRPPWR 0.97
58 MKKRPTWR 1.0
59 MRKRPTRR 1.0
60 MMRRPTRR 1.01
61 MLARPPWR 1.02
62 MPARPTWR 1.02
63 KRRRPPWR 1.03
64 KMPRPTRR 1.03
65 MPPRPPWR 1.04
66 MLSRPPWR 1.04
67 MPSRPTWR 1.04
68 MMKRPPWR 1.05
69 MRARPTRR 1.06
70 MKARPTWR 1.06
71 MLKRPTRR 1.07
72 MRSRPTRR 1.08
73 MKPRPPWR 1.08
74 MKSRPTWR 1.08
75 MRPRPPRR 1.08
76 KPRRPTWR 1.09
77 MMARPPWR 1.1
78 KLRRPPWR 1.1
79 KRRRPTRR 1.13
80 KKRRPTWR 1.13
81 MMSRPPWR 1.13
82 MLARPTRR 1.13
83 MLSRPTRR 1.15
84 MPPRPTRR 1.15
85 MLPRPPRR 1.15
86 MMKRPTRR 1.16
87 KRKRPPWR 1.17
88 KMRRPPWR 1.18
89 MKPRPTRR 1.19
90 KLRRPTRR 1.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRRRPTWR

3.2

-6.48

-3.28
2 MKPRPTWR

2.83

-6.1

-3.27
3 KMRRPTWR

3.08

-6.2

-3.12
4 MMPRPPWR

3.35

-6.26

-2.91
5 MLRRPTWR

3.03

-5.9

-2.87
6 MPPRPTWR

2.65

-5.52

-2.87
7 KLRRPTWR

3.29

-6.1

-2.81
8 KRKRPTWR

3.26

-6.03

-2.77
9 MLPRPPWR

3.07

-5.84

-2.77
10 MRPRPPWR

2.8

-5.5

-2.7
11 MLPRPTRR

2.81

-5.24

-2.43
12 MLSRPTWR

2.99

-5.42

-2.43
13 MMRRPTWR

3.27

-5.67

-2.4
14 MMKRPTWR

3.11

-5.51

-2.4
15 KRPRPTWR

2.92

-5.2

-2.28
16 MRKRPTWR

3.1

-5.28

-2.18
17 KLPRPTWR

2.87

-4.99

-2.12
18 MLARPTWR

2.93

-4.92

-1.99
19 MMARPTWR

2.89

-4.78

-1.89
20 KRARPTWR

3.31

-5.05

-1.74
21 MRPRPTWR

2.54

-4.15

-1.61
22 MRARPTWR

2.94

-4.45

-1.51
23 MRSRPTWR

3.21

-4.69

-1.48
24 MRRRPTWR

3.11

-4.57

-1.46
25 KMPRPTWR

2.88

-4.21

-1.33
26 MLPRPTWR

2.93

-4.18

-1.25
27 MRPRPTRR

2.59

-3.72

-1.13
28 MMSRPTWR

2.9

-4.0

-1.1
29 MLKRPTWR

3.42

-4.29

-0.87
30 MMPRPTWR

3.09

-3.88

-0.79

 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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