| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
F |
173 |
42 |
11780 |
◊ |
E |
x,y,z |
1_555 |
182 |
44 |
11634 |
1625.1 |
-26.5 |
0.032 |
16 |
2 |
0 |
1.000 |
2 |
|
H |
174 |
42 |
11790 |
◊ |
G |
x,y,z |
1_555 |
173 |
42 |
12608 |
1624.2 |
-26.6 |
0.042 |
15 |
2 |
0 |
1.000 |
3 |
|
B |
176 |
41 |
11990 |
◊ |
A |
x,y,z |
1_555 |
175 |
41 |
11716 |
1617.9 |
-25.2 |
0.057 |
16 |
2 |
0 |
1.000 |
4 |
|
D |
177 |
42 |
11629 |
◊ |
C |
x,y,z |
1_555 |
173 |
41 |
11902 |
1608.0 |
-26.5 |
0.028 |
15 |
1 |
0 |
1.000 |
| Average: |
1618.8 |
-26.2 |
0.040 |
16 |
2 |
0 |
1.000 |
| 2 |
5 |
|
E |
153 |
41 |
11634 |
◊ |
B |
x,y,z |
1_555 |
150 |
41 |
11990 |
1424.5 |
-22.4 |
0.052 |
17 |
4 |
0 |
1.000 |
6 |
|
F |
152 |
41 |
11780 |
◊ |
A |
x,y,z |
1_555 |
154 |
42 |
11716 |
1420.9 |
-20.8 |
0.088 |
19 |
4 |
0 |
1.000 |
7 |
|
G |
154 |
43 |
12608 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
154 |
43 |
11629 |
1420.8 |
-21.0 |
0.093 |
16 |
4 |
0 |
1.000 |
8 |
|
H |
154 |
42 |
11790 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
149 |
40 |
11902 |
1413.7 |
-20.8 |
0.080 |
19 |
4 |
0 |
1.000 |
| Average: |
1420.0 |
-21.2 |
0.078 |
18 |
4 |
0 |
1.000 |
| 3 |
9 |
|
F |
64 |
19 |
11780 |
◊ |
B |
x,y,z |
1_555 |
62 |
17 |
11990 |
636.9 |
-9.0 |
0.159 |
5 |
0 |
0 |
0.152 |
10 |
|
G |
64 |
18 |
12608 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
62 |
20 |
11902 |
628.9 |
-8.9 |
0.162 |
5 |
0 |
0 |
0.152 |
11 |
|
E |
60 |
17 |
11634 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
11716 |
608.9 |
-9.2 |
0.124 |
5 |
0 |
0 |
0.152 |
12 |
|
H |
62 |
19 |
11790 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
59 |
17 |
11629 |
607.9 |
-9.6 |
0.119 |
6 |
0 |
0 |
0.152 |
| Average: |
620.6 |
-9.2 |
0.141 |
5 |
0 |
0 |
0.152 |
| 4 |
13 |
|
F |
54 |
18 |
11780 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
53 |
16 |
11634 |
481.0 |
-0.7 |
0.763 |
5 |
1 |
0 |
0.000 |
| 5 |
14 |
|
C |
49 |
16 |
11902 |
◊ |
B |
x,y,z |
1_555 |
52 |
17 |
11990 |
426.6 |
0.3 |
0.832 |
6 |
0 |
0 |
0.000 |
| 6 |
15 |
|
G |
47 |
20 |
12608 |
◊ |
B |
x,y,z |
1_555 |
49 |
20 |
11990 |
411.5 |
-1.6 |
0.539 |
3 |
1 |
0 |
0.000 |
| 7 |
16 |
|
G |
39 |
12 |
12608 |
◊ |
H |
x-1,y,z |
1_455 |
45 |
13 |
11790 |
394.7 |
0.8 |
0.846 |
3 |
1 |
0 |
0.000 |
17 |
|
F |
43 |
13 |
11780 |
◊ |
E |
x-1,y,z |
1_455 |
46 |
13 |
11634 |
372.9 |
2.5 |
0.924 |
4 |
1 |
0 |
0.000 |
| Average: |
383.8 |
1.6 |
0.885 |
4 |
1 |
0 |
0.000 |
| 8 |
18 |
|
C |
34 |
13 |
11902 |
◊ |
D |
x-1,y,z |
1_455 |
51 |
14 |
11629 |
353.9 |
-1.2 |
0.397 |
1 |
0 |
0 |
0.000 |
19 |
|
A |
47 |
14 |
11716 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
13 |
11990 |
319.5 |
-1.9 |
0.448 |
1 |
0 |
0 |
0.000 |
| Average: |
336.7 |
-1.6 |
0.423 |
1 |
0 |
0 |
0.000 |
| 9 |
20 |
|
G |
27 |
10 |
12608 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11902 |
191.3 |
0.0 |
0.725 |
3 |
0 |
0 |
0.000 |
| 10 |
21 |
|
C |
26 |
8 |
11902 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
11716 |
171.9 |
0.4 |
0.750 |
1 |
0 |
0 |
0.000 |
22 |
|
D |
21 |
8 |
11629 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
11990 |
170.9 |
-1.8 |
0.508 |
1 |
0 |
0 |
0.000 |
| Average: |
171.4 |
-0.7 |
0.629 |
1 |
0 |
0 |
0.000 |
| 11 |
23 |
|
A |
15 |
6 |
11716 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
21 |
5 |
11629 |
169.4 |
-0.8 |
0.514 |
1 |
0 |
0 |
0.000 |
| 12 |
24 |
|
H |
20 |
5 |
11790 |
◊ |
D |
-x+2,y-1/2,-z+3/2 |
3_746 |
22 |
10 |
11629 |
166.5 |
-1.4 |
0.537 |
1 |
0 |
0 |
0.000 |
25 |
|
A |
24 |
11 |
11716 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
6 |
11634 |
162.3 |
-2.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| Average: |
164.4 |
-1.9 |
0.437 |
1 |
0 |
0 |
0.000 |
| 13 |
26 |
|
F |
14 |
5 |
11780 |
◊ |
D |
x,y-1,z |
1_545 |
19 |
6 |
11629 |
143.0 |
-1.4 |
0.482 |
1 |
0 |
0 |
0.000 |
| 14 |
27 |
|
G |
11 |
3 |
12608 |
x |
G |
-x+1,y-1/2,-z+3/2 |
3_646 |
15 |
6 |
12608 |
134.6 |
-0.2 |
0.497 |
2 |
0 |
0 |
0.000 |
| 15 |
28 |
|
G |
14 |
5 |
12608 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
11780 |
113.6 |
0.8 |
0.813 |
3 |
0 |
0 |
0.000 |
| 16 |
29 |
|
F |
17 |
4 |
11780 |
◊ |
H |
-x+1,y-1/2,-z+3/2 |
3_646 |
12 |
5 |
11790 |
99.9 |
-0.1 |
0.682 |
2 |
0 |
0 |
0.000 |
| 17 |
30 |
|
C |
10 |
3 |
11902 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
5 |
11634 |
80.2 |
-0.4 |
0.582 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[SO4]F:301 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
11780 |
76.8 |
-9.5 |
0.803 |
2 |
0 |
0 |
0.235 |
| 19 |
32 |
|
A |
9 |
3 |
11716 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
9 |
3 |
11716 |
71.6 |
0.2 |
0.629 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
G |
10 |
5 |
12608 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
11629 |
69.8 |
0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[SO4]A:301 |
5 |
1 |
184 |
f |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
3 |
11716 |
68.1 |
-10.2 |
0.582 |
2 |
0 |
0 |
0.234 |
| 22 |
35 |
|
[CL]G:301 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
12608 |
48.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.165 |
| 23 |
36 |
|
[SO4]A:301 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11716 |
44.9 |
-3.9 |
0.990 |
2 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[SO4]F:301 |
4 |
1 |
185 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
3 |
11634 |
41.9 |
-4.4 |
0.958 |
1 |
0 |
0 |
0.000 |
| 25 |
38 |
|
E |
3 |
2 |
11634 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
1 |
11629 |
38.6 |
-0.4 |
0.363 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[SO4]A:301 |
3 |
1 |
184 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
11990 |
27.4 |
-3.8 |
0.499 |
0 |
0 |
0 |
0.080 |
| 27 |
40 |
|
[CL]G:301 |
1 |
1 |
125 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
11790 |
23.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
A |
5 |
3 |
11716 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
2 |
11990 |
21.8 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
| 29 |
42 |
|
A |
3 |
2 |
11716 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
11790 |
16.1 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
C |
2 |
2 |
11902 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
2 |
11790 |
7.3 |
0.5 |
0.833 |
0 |
0 |
0 |
0.000 |
|