| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
H |
219 |
63 |
12332 |
◊ |
L |
x,y,z |
1_555 |
222 |
62 |
11677 |
1928.8 |
-28.2 |
0.031 |
12 |
2 |
1 |
1.000 |
2 |
|
H |
58 |
15 |
12332 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
70 |
23 |
11677 |
631.7 |
-2.8 |
0.529 |
8 |
0 |
0 |
0.000 |
3 |
|
H |
53 |
16 |
12332 |
◊ |
H |
-x+1,y,-z+2 |
2_657 |
53 |
16 |
12332 |
476.2 |
3.0 |
0.941 |
12 |
0 |
0 |
0.000 |
4 |
|
L |
42 |
15 |
11677 |
x |
L |
-x+1/2,y-1/2,-z+2 |
4_547 |
40 |
12 |
11677 |
432.2 |
0.3 |
0.654 |
5 |
2 |
0 |
0.000 |
5 |
|
L |
41 |
15 |
11677 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
41 |
14 |
12332 |
361.6 |
0.7 |
0.737 |
2 |
1 |
0 |
0.000 |
6 |
|
H |
35 |
12 |
12332 |
x |
H |
x,y,z-1 |
1_554 |
45 |
15 |
12332 |
357.4 |
-2.4 |
0.335 |
4 |
0 |
0 |
0.000 |
7 |
|
H |
23 |
12 |
12332 |
◊ |
L |
-x+1,y,-z+2 |
2_657 |
18 |
3 |
11677 |
194.9 |
-0.2 |
0.617 |
3 |
0 |
0 |
0.000 |
8 |
|
[PGE]H:303 |
10 |
1 |
325 |
◊ |
H |
x,y,z |
1_555 |
26 |
8 |
12332 |
163.2 |
4.9 |
0.320 |
2 |
0 |
0 |
0.000 |
9 |
|
L |
19 |
5 |
11677 |
x |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
6 |
11677 |
158.1 |
0.0 |
0.607 |
5 |
0 |
0 |
0.000 |
10 |
|
H |
20 |
7 |
12332 |
f |
[MES]L:301 |
x,y,z-1 |
1_554 |
9 |
1 |
335 |
145.1 |
5.0 |
0.503 |
0 |
0 |
0 |
0.000 |
11 |
|
[MES]L:302 |
11 |
1 |
340 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
11677 |
113.5 |
3.2 |
0.067 |
0 |
0 |
0 |
0.000 |
12 |
|
[ACT]L:303 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
13 |
9 |
11677 |
112.6 |
0.1 |
0.644 |
2 |
0 |
0 |
0.057 |
13 |
|
[PGE]H:303 |
9 |
1 |
325 |
◊ |
L |
x,y,z |
1_555 |
18 |
6 |
11677 |
102.6 |
2.3 |
0.166 |
0 |
0 |
0 |
0.000 |
14 |
|
[MES]L:301 |
10 |
1 |
335 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12332 |
91.1 |
1.1 |
0.030 |
0 |
0 |
0 |
0.000 |
15 |
|
[ACT]H:302 |
4 |
1 |
182 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
12332 |
84.5 |
-1.0 |
0.454 |
2 |
0 |
0 |
0.050 |
16 |
|
[ACT]L:304 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
13 |
6 |
11677 |
84.0 |
0.3 |
0.679 |
2 |
0 |
0 |
0.043 |
17 |
|
[ACT]H:301 |
4 |
1 |
181 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
12332 |
74.7 |
-0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
18 |
|
H |
13 |
6 |
12332 |
◊ |
L |
x,y,z-1 |
1_554 |
7 |
2 |
11677 |
71.0 |
-0.9 |
0.259 |
1 |
0 |
0 |
0.000 |
19 |
|
[ACT]H:301 |
4 |
1 |
181 |
f |
H |
-x+1,y,-z+2 |
2_657 |
11 |
4 |
12332 |
66.4 |
-0.4 |
0.604 |
1 |
0 |
0 |
0.024 |
20 |
|
L |
9 |
1 |
11677 |
◊ |
H |
x,y,z-1 |
1_554 |
7 |
3 |
12332 |
54.8 |
-1.1 |
0.346 |
0 |
0 |
0 |
0.000 |
21 |
|
[MES]L:301 |
6 |
1 |
335 |
◊ |
L |
x,y,z |
1_555 |
5 |
1 |
11677 |
54.7 |
1.2 |
0.146 |
0 |
0 |
0 |
0.000 |
22 |
|
[ACT]H:302 |
4 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
5 |
3 |
11677 |
47.8 |
-0.1 |
0.533 |
1 |
0 |
0 |
0.013 |
23 |
|
[MES]L:302 |
5 |
1 |
340 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
12332 |
44.8 |
0.8 |
0.079 |
0 |
0 |
0 |
0.000 |
24 |
|
[ACT]L:304 |
2 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
12332 |
39.9 |
-0.5 |
0.531 |
0 |
0 |
0 |
0.014 |
25 |
|
H |
2 |
1 |
12332 |
f |
[MES]L:302 |
x,y,z-1 |
1_554 |
3 |
1 |
340 |
32.8 |
0.6 |
0.186 |
0 |
0 |
0 |
0.000 |
26 |
|
L |
4 |
2 |
11677 |
◊ |
[MES]L:302 |
-x+1/2,y-1/2,-z+2 |
4_547 |
2 |
1 |
340 |
31.8 |
1.4 |
0.598 |
0 |
0 |
0 |
0.000 |
27 |
|
[PGE]H:303 |
3 |
1 |
325 |
f |
H |
x,y,z-1 |
1_554 |
4 |
3 |
12332 |
28.4 |
0.2 |
0.195 |
0 |
0 |
0 |
0.000 |
28 |
|
[MES]L:302 |
2 |
1 |
340 |
f |
[MES]L:301 |
x,y,z |
1_555 |
4 |
1 |
335 |
23.7 |
0.3 |
0.027 |
0 |
0 |
0 |
0.000 |
|