## |
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 |
|
A |
224 |
65 |
31804 |
◊ |
A |
-x,y,-z+1 |
2_556 |
225 |
65 |
31804 |
2161.2 |
-10.1 |
0.357 |
22 |
4 |
0 |
0.000 |
2 |
|
B |
221 |
64 |
31695 |
◊ |
B |
-x,y,-z |
2_555 |
220 |
64 |
31695 |
2148.6 |
-8.9 |
0.413 |
22 |
6 |
0 |
0.000 |
Average: |
2154.9 |
-9.5 |
0.385 |
22 |
5 |
0 |
0.000 |
2 |
3 |
|
D |
106 |
9 |
2584 |
◊ |
B |
x,y,z |
1_555 |
118 |
34 |
31695 |
970.3 |
-12.0 |
0.568 |
17 |
0 |
0 |
1.000 |
4 |
|
C |
105 |
9 |
2580 |
◊ |
A |
x,y,z |
1_555 |
116 |
34 |
31804 |
963.9 |
-11.6 |
0.571 |
18 |
0 |
0 |
1.000 |
Average: |
967.1 |
-11.8 |
0.569 |
18 |
0 |
0 |
1.000 |
3 |
5 |
|
B |
57 |
31 |
31695 |
◊ |
A |
x,y,z |
1_555 |
59 |
27 |
31804 |
521.9 |
7.7 |
0.957 |
7 |
5 |
0 |
0.000 |
4 |
6 |
|
F |
59 |
5 |
1808 |
◊ |
B |
x,y,z |
1_555 |
67 |
19 |
31695 |
489.8 |
-2.0 |
0.474 |
7 |
0 |
0 |
0.000 |
7 |
|
E |
58 |
5 |
1812 |
◊ |
A |
x,y,z |
1_555 |
67 |
19 |
31804 |
485.9 |
-1.9 |
0.470 |
7 |
0 |
0 |
0.000 |
Average: |
487.9 |
-2.0 |
0.472 |
7 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
37 |
10 |
31695 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
35 |
13 |
31695 |
328.3 |
-2.2 |
0.154 |
3 |
1 |
0 |
0.000 |
9 |
|
A |
35 |
13 |
31804 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
38 |
10 |
31804 |
322.6 |
-2.4 |
0.150 |
3 |
1 |
0 |
0.000 |
Average: |
325.5 |
-2.3 |
0.152 |
3 |
1 |
0 |
0.000 |
6 |
10 |
|
E |
25 |
3 |
1812 |
◊ |
A |
-x,y,-z+1 |
2_556 |
40 |
12 |
31804 |
273.5 |
-2.9 |
0.343 |
6 |
0 |
0 |
1.000 |
11 |
|
F |
25 |
3 |
1808 |
◊ |
B |
-x,y,-z |
2_555 |
41 |
12 |
31695 |
272.8 |
-3.5 |
0.279 |
6 |
0 |
0 |
1.000 |
Average: |
273.2 |
-3.2 |
0.311 |
6 |
0 |
0 |
1.000 |
7 |
12 |
|
B |
20 |
7 |
31695 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
31 |
15 |
31804 |
239.7 |
3.1 |
0.711 |
4 |
4 |
0 |
0.000 |
8 |
13 |
|
C |
27 |
8 |
2580 |
◊ |
A |
-x,y,-z+1 |
2_556 |
33 |
10 |
31804 |
232.2 |
-5.4 |
0.447 |
3 |
0 |
0 |
0.000 |
14 |
|
D |
28 |
8 |
2584 |
◊ |
B |
-x,y,-z |
2_555 |
33 |
11 |
31695 |
229.4 |
-5.2 |
0.476 |
3 |
0 |
0 |
0.000 |
Average: |
230.8 |
-5.3 |
0.461 |
3 |
0 |
0 |
0.000 |
9 |
15 |
|
C |
24 |
3 |
2580 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
3 |
1812 |
183.7 |
6.1 |
0.855 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
24 |
3 |
2584 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
23 |
3 |
1808 |
182.3 |
6.0 |
0.855 |
0 |
0 |
0 |
0.000 |
Average: |
183.0 |
6.1 |
0.855 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[NAG]A:1001 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
19 |
11 |
31804 |
150.1 |
4.6 |
0.502 |
2 |
0 |
0 |
0.000 |
18 |
|
[NAG]B:1001 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
19 |
11 |
31695 |
149.2 |
4.5 |
0.512 |
2 |
0 |
0 |
0.000 |
Average: |
149.7 |
4.5 |
0.507 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
[NAG]A:1004 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
23 |
10 |
31804 |
147.9 |
3.6 |
0.408 |
3 |
0 |
0 |
0.000 |
20 |
|
[NAG]B:1004 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
31695 |
147.0 |
3.3 |
0.400 |
4 |
0 |
0 |
0.000 |
Average: |
147.4 |
3.4 |
0.404 |
4 |
0 |
0 |
0.000 |
12 |
21 |
|
[NAG]A:1010 |
12 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
31804 |
133.8 |
4.0 |
0.423 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
F |
16 |
2 |
1808 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
15 |
7 |
31695 |
126.6 |
0.1 |
0.290 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
14 |
7 |
31804 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
16 |
2 |
1812 |
126.3 |
0.2 |
0.277 |
0 |
0 |
0 |
0.000 |
Average: |
126.5 |
0.1 |
0.284 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[NAG]B:1006 |
11 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
17 |
5 |
31695 |
123.9 |
3.1 |
0.379 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]A:1006 |
11 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
17 |
5 |
31804 |
123.8 |
3.1 |
0.377 |
0 |
0 |
0 |
0.000 |
Average: |
123.9 |
3.1 |
0.378 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[NAG]B:1005 |
8 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
13 |
6 |
31695 |
117.2 |
3.2 |
0.502 |
1 |
0 |
0 |
0.000 |
27 |
|
[NAG]A:1005 |
8 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
31804 |
116.5 |
3.1 |
0.518 |
1 |
0 |
0 |
0.000 |
Average: |
116.8 |
3.1 |
0.510 |
1 |
0 |
0 |
0.000 |
16 |
28 |
|
[NAG]B:1009 |
10 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
12 |
5 |
31695 |
110.8 |
2.0 |
0.303 |
2 |
0 |
0 |
0.000 |
17 |
29 |
|
[NAG]A:1009 |
9 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
31804 |
110.7 |
2.2 |
0.360 |
2 |
0 |
0 |
0.000 |
18 |
30 |
|
[NAG]A:1003 |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
14 |
4 |
31804 |
110.3 |
2.2 |
0.311 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]B:1003 |
8 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
31695 |
109.6 |
2.2 |
0.411 |
0 |
0 |
0 |
0.000 |
Average: |
109.9 |
2.2 |
0.361 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[NAG]B:1008 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
16 |
7 |
31695 |
105.8 |
2.7 |
0.344 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]A:1008 |
10 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
16 |
7 |
31804 |
100.6 |
2.6 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
103.2 |
2.6 |
0.348 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
[NAG]B:1007 |
10 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
31695 |
104.4 |
3.7 |
0.482 |
1 |
0 |
0 |
0.000 |
35 |
|
[NAG]A:1007 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
31804 |
103.4 |
3.5 |
0.457 |
1 |
0 |
0 |
0.000 |
Average: |
103.9 |
3.6 |
0.469 |
1 |
0 |
0 |
0.000 |
21 |
36 |
|
[NAG]A:1009 |
11 |
1 |
359 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
16 |
2 |
1812 |
103.8 |
2.4 |
0.237 |
2 |
0 |
0 |
0.000 |
37 |
|
F |
13 |
2 |
1808 |
◊ |
[NAG]B:1009 |
x-1/2,y+1/2,z |
3_455 |
10 |
1 |
362 |
99.2 |
3.2 |
0.333 |
0 |
0 |
0 |
0.000 |
Average: |
101.5 |
2.8 |
0.285 |
1 |
0 |
0 |
0.000 |
22 |
38 |
|
[NAG]B:1009 |
9 |
1 |
362 |
◊ |
D |
-x,y,-z |
2_555 |
12 |
3 |
2584 |
91.5 |
2.4 |
0.438 |
2 |
0 |
0 |
0.000 |
39 |
|
[NAG]A:1009 |
9 |
1 |
359 |
◊ |
C |
-x,y,-z+1 |
2_556 |
12 |
3 |
2580 |
90.6 |
2.3 |
0.442 |
2 |
0 |
0 |
0.000 |
Average: |
91.1 |
2.4 |
0.440 |
2 |
0 |
0 |
0.000 |
23 |
40 |
|
[NAG]A:1010 |
8 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
31695 |
80.3 |
0.5 |
0.199 |
1 |
0 |
0 |
0.000 |
24 |
41 |
|
[NAG]A:1002 |
9 |
1 |
365 |
cf |
[NAG]A:1001 |
x,y,z |
1_555 |
7 |
1 |
362 |
71.3 |
1.6 |
0.071 |
0 |
0 |
0 |
0.000 |
42 |
|
[NAG]B:1002 |
9 |
1 |
365 |
cf |
[NAG]B:1001 |
x,y,z |
1_555 |
6 |
1 |
361 |
70.9 |
1.6 |
0.093 |
0 |
0 |
0 |
0.000 |
Average: |
71.1 |
1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
25 |
43 |
|
[MG]B:1010 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
31695 |
56.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
1.000 |
44 |
|
[MG]A:1011 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
31804 |
56.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
56.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
1.000 |
26 |
45 |
|
[NAG]A:1006 |
6 |
1 |
366 |
◊ |
C |
-x,y,-z+1 |
2_556 |
6 |
2 |
2580 |
54.8 |
1.6 |
0.365 |
2 |
0 |
0 |
0.000 |
46 |
|
[NAG]B:1006 |
6 |
1 |
365 |
◊ |
D |
-x,y,-z |
2_555 |
6 |
2 |
2584 |
54.8 |
1.5 |
0.363 |
2 |
0 |
0 |
0.000 |
Average: |
54.8 |
1.6 |
0.364 |
2 |
0 |
0 |
0.000 |
27 |
47 |
|
A |
5 |
2 |
31804 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
1812 |
52.0 |
1.2 |
0.692 |
1 |
0 |
0 |
0.000 |
48 |
|
B |
5 |
3 |
31695 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
10 |
3 |
1808 |
48.9 |
1.0 |
0.677 |
0 |
0 |
0 |
0.000 |
Average: |
50.5 |
1.1 |
0.684 |
1 |
0 |
0 |
0.000 |
28 |
49 |
|
B |
12 |
8 |
31695 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
5 |
3 |
31804 |
51.1 |
1.6 |
0.792 |
1 |
0 |
0 |
0.000 |
29 |
50 |
|
C |
8 |
1 |
2580 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
31804 |
49.4 |
0.8 |
0.493 |
0 |
0 |
0 |
0.000 |
51 |
|
D |
7 |
1 |
2584 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
5 |
2 |
31695 |
48.5 |
0.7 |
0.506 |
0 |
0 |
0 |
0.000 |
Average: |
49.0 |
0.7 |
0.499 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
[NAG]B:1003 |
3 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
31804 |
37.1 |
0.2 |
0.293 |
0 |
0 |
0 |
0.000 |
31 |
53 |
|
[NAG]B:1009 |
4 |
1 |
362 |
f |
[NAG]B:1006 |
x,y,z |
1_555 |
3 |
1 |
365 |
36.6 |
1.9 |
0.409 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]A:1009 |
4 |
1 |
359 |
f |
[NAG]A:1006 |
x,y,z |
1_555 |
3 |
1 |
366 |
36.0 |
1.9 |
0.376 |
0 |
0 |
0 |
0.000 |
Average: |
36.3 |
1.9 |
0.393 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[NAG]B:1002 |
4 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
31695 |
35.6 |
0.7 |
0.335 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]A:1002 |
5 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
31804 |
34.8 |
0.7 |
0.279 |
0 |
0 |
0 |
0.000 |
Average: |
35.2 |
0.7 |
0.307 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[NAG]A:1008 |
3 |
1 |
358 |
◊ |
E |
-x,y,-z+1 |
2_556 |
6 |
1 |
1812 |
30.3 |
1.2 |
0.541 |
0 |
0 |
0 |
0.000 |
58 |
|
[NAG]B:1008 |
3 |
1 |
360 |
◊ |
F |
-x,y,-z |
2_555 |
6 |
1 |
1808 |
29.6 |
1.1 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
30.0 |
1.2 |
0.536 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
[NAG]A:1007 |
3 |
1 |
365 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
5 |
1 |
31804 |
26.1 |
-0.1 |
0.328 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
5 |
1 |
31695 |
◊ |
[NAG]B:1007 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
364 |
25.7 |
-0.0 |
0.330 |
0 |
0 |
0 |
0.000 |
Average: |
25.9 |
-0.1 |
0.329 |
0 |
0 |
0 |
0.000 |
35 |
61 |
|
[NAG]A:1008 |
4 |
1 |
358 |
◊ |
A |
-x,y,-z+1 |
2_556 |
1 |
1 |
31804 |
19.4 |
1.1 |
0.431 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]B:1008 |
4 |
1 |
360 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
31695 |
18.0 |
1.0 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
18.7 |
1.1 |
0.433 |
0 |
0 |
0 |
0.000 |
36 |
63 |
|
[NAG]A:1003 |
3 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
31695 |
18.3 |
0.1 |
0.216 |
0 |
0 |
0 |
0.000 |
37 |
64 |
|
[NAG]B:1006 |
3 |
1 |
365 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
2 |
31695 |
15.2 |
0.0 |
0.274 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAG]A:1006 |
2 |
1 |
366 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
2 |
31804 |
13.9 |
-0.0 |
0.265 |
0 |
0 |
0 |
0.000 |
Average: |
14.5 |
-0.0 |
0.269 |
0 |
0 |
0 |
0.000 |
38 |
66 |
|
[NAG]B:1009 |
2 |
1 |
362 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
2 |
31695 |
11.1 |
0.2 |
0.332 |
0 |
0 |
0 |
0.000 |
67 |
|
[NAG]A:1009 |
2 |
1 |
359 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
2 |
31804 |
9.4 |
0.2 |
0.329 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
0.2 |
0.331 |
0 |
0 |
0 |
0.000 |
39 |
68 |
|
B |
4 |
2 |
31695 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
31695 |
10.0 |
-0.3 |
0.293 |
0 |
0 |
0 |
0.000 |
69 |
|
A |
1 |
1 |
31804 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
31804 |
9.1 |
-0.3 |
0.303 |
0 |
0 |
0 |
0.000 |
Average: |
9.6 |
-0.3 |
0.298 |
0 |
0 |
0 |
0.000 |
40 |
70 |
|
[MG]A:1011 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
31804 |
8.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
|
[MG]B:1010 |
1 |
1 |
98 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
1 |
31695 |
8.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
72 |
|
[NAG]A:1006 |
1 |
1 |
366 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
1812 |
1.1 |
0.1 |
0.251 |
0 |
0 |
0 |
0.000 |
73 |
|
F |
1 |
1 |
1808 |
◊ |
[NAG]B:1006 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
365 |
0.3 |
0.0 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
0.0 |
0.249 |
0 |
0 |
0 |
0.000 |
|