| ## |
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 |
|
C |
76 |
22 |
8487 |
◊ |
A |
x,y,z |
1_555 |
92 |
27 |
8452 |
730.5 |
-3.0 |
0.563 |
15 |
4 |
0 |
0.000 |
2 |
|
D |
77 |
23 |
8473 |
◊ |
B |
x-1,y,z+1 |
1_456 |
88 |
26 |
8408 |
725.1 |
-3.1 |
0.549 |
12 |
4 |
0 |
0.000 |
| Average: |
727.8 |
-3.1 |
0.556 |
14 |
4 |
0 |
0.000 |
| 2 |
3 |
|
C |
95 |
28 |
8487 |
◊ |
A |
x-1,y,z+1 |
1_456 |
72 |
18 |
8452 |
718.6 |
-3.3 |
0.585 |
12 |
2 |
0 |
0.000 |
4 |
|
D |
92 |
28 |
8473 |
◊ |
B |
x,y,z |
1_555 |
65 |
16 |
8408 |
700.6 |
-3.1 |
0.579 |
12 |
2 |
0 |
0.000 |
| Average: |
709.6 |
-3.2 |
0.582 |
12 |
2 |
0 |
0.000 |
| 3 |
5 |
|
B |
36 |
11 |
8408 |
x |
B |
x-1,y,z |
1_455 |
42 |
14 |
8408 |
395.9 |
-0.2 |
0.565 |
5 |
2 |
0 |
0.000 |
6 |
|
A |
43 |
15 |
8452 |
x |
A |
x-1,y,z |
1_455 |
36 |
11 |
8452 |
389.8 |
-0.1 |
0.590 |
7 |
3 |
0 |
0.000 |
| Average: |
392.9 |
-0.1 |
0.578 |
6 |
3 |
0 |
0.000 |
| 4 |
7 |
|
C |
44 |
11 |
8487 |
◊ |
B |
x,y,z |
1_555 |
51 |
16 |
8408 |
367.4 |
-0.4 |
0.675 |
1 |
1 |
0 |
0.000 |
8 |
|
D |
42 |
10 |
8473 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
49 |
16 |
8452 |
358.3 |
-0.6 |
0.666 |
1 |
1 |
0 |
0.000 |
| Average: |
362.9 |
-0.5 |
0.671 |
1 |
1 |
0 |
0.000 |
| 5 |
9 |
|
[PG5]A:201 |
11 |
1 |
378 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
8452 |
137.2 |
4.2 |
0.090 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[PG5]B:201 |
9 |
1 |
384 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
8408 |
135.0 |
4.0 |
0.138 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
14 |
5 |
8473 |
◊ |
A |
x,y-1,z+1 |
1_546 |
11 |
7 |
8452 |
115.6 |
0.7 |
0.693 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
15 |
6 |
8487 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
6 |
8408 |
110.6 |
0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
| Average: |
113.1 |
0.5 |
0.675 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[SO4]D:200 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
8473 |
80.2 |
-9.8 |
0.907 |
2 |
0 |
0 |
0.132 |
| 9 |
14 |
|
[EDO]A:202 |
4 |
1 |
183 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
4 |
8452 |
79.8 |
1.6 |
0.213 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
13 |
4 |
8408 |
◊ |
[EDO]B:202 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
79.4 |
1.5 |
0.213 |
1 |
0 |
0 |
0.000 |
| Average: |
79.6 |
1.5 |
0.213 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[SO4]C:200 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
8487 |
76.0 |
-9.4 |
0.907 |
2 |
0 |
0 |
0.132 |
| 11 |
17 |
|
[EDO]B:202 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
8408 |
75.0 |
1.2 |
0.212 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:202 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
8452 |
73.3 |
1.0 |
0.200 |
0 |
0 |
0 |
0.000 |
| Average: |
74.2 |
1.1 |
0.206 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
B |
14 |
5 |
8408 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
8487 |
69.6 |
-1.1 |
0.292 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
6 |
2 |
8473 |
◊ |
A |
x-1,y,z+1 |
1_456 |
12 |
5 |
8452 |
66.6 |
-1.0 |
0.341 |
1 |
0 |
0 |
0.000 |
| Average: |
68.1 |
-1.0 |
0.317 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
D |
8 |
5 |
8473 |
f |
[PG5]B:201 |
x-1,y,z+1 |
1_456 |
4 |
1 |
384 |
60.4 |
2.6 |
0.378 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[PG5]A:201 |
4 |
1 |
378 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
8487 |
58.8 |
2.5 |
0.350 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[SO4]C:200 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8408 |
43.6 |
-4.8 |
0.924 |
1 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[SO4]D:200 |
5 |
1 |
186 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
7 |
4 |
8452 |
43.4 |
-5.0 |
0.913 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
A |
4 |
3 |
8452 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
8487 |
22.9 |
0.6 |
0.766 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
4 |
3 |
8473 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
3 |
8408 |
13.0 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
| Average: |
18.0 |
0.5 |
0.754 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
D |
1 |
1 |
8473 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8487 |
7.8 |
0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
1 |
1 |
8473 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
8487 |
4.5 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
| Average: |
6.1 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
B |
2 |
1 |
8408 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
8452 |
3.5 |
-0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
1 |
1 |
8408 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8452 |
2.6 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
|