S.N.
First Set
Second Set
Third Set
Binding
Site
Catalytic
ΣΔπdr
ΣΔSASAdr
1
1.25
4.22
50.26
55.35
19
1.15
4.28
7.88
12.97
36
0.83
3.96
19.76
24.85
2
43.86
48.95
20
1.33
4.46
16.26
21.35
37
2.11
1.02
6.88
10.37
3
60.72
65.81
21
1.93
5.06
29.76
34.85
38
1.73
4.86
31.96
37.05
4
68.00
73.09
22
2.91
6.04
38.64
43.73
39
0.59
3.72
5
43.28
48.37
23
2.21
5.34
37.44
42.53
40
2.3
12.06
17.15
6
38.74
43.83
24
2.55
5.68
40.54
45.63
41
0.73
3.86
89.32
94.41
7
1.23
4.20
25
2.09
5.22
18.66
23.75
42
0.39
3.48
83.78
88.87
8
55.70
60.79
26
0.41
2.72
19.74
24.83
43
1.09
2.04
9.51
9
1.89
61.04
66.13
27
1.05
4.18
43.48
48.57
44
0.97
4.1
35.46
40.55
10
56.28
61.37
28
3.21
0.24
40.48
35.39
45
0.63
2.5
91.64
96.73
11
42.60
47.69
29
40.34
35.25
46
72.94
78.03
12
67.24
72.33
30
0.93
2.2
18.42
13.33
47
1.07
4.2
11.28
16.37
13
52.90
57.99
31
3.67
6.8
56.08
61.17
48
1.43
4.56
29.88
34.97
14
82.56
87.65
32
0.71
2.42
48.42
53.51
49
5.02
42.24
47.33
15
29.04
34.13
33
1.47
1.66
7.52
12.61
50
2.06
31.08
36.17
16
48.66
53.75
34
46.52
51.61
51
3.22
27.2
32.29
17
44.16
49.25
35
4.41
7.54
37.52
42.61
18
42.78
47.87