| ## |
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 |
|
D |
58 |
12 |
2761 |
◊ |
E |
x,y,z |
1_555 |
59 |
11 |
2793 |
554.6 |
-4.9 |
0.782 |
27 |
0 |
0 |
1.000 |
2 |
|
I |
60 |
12 |
2748 |
◊ |
J |
x,y,z |
1_555 |
60 |
11 |
2774 |
551.5 |
-4.6 |
0.794 |
28 |
0 |
0 |
1.000 |
| Average: |
553.0 |
-4.7 |
0.788 |
28 |
0 |
0 |
1.000 |
| 2 |
3 |
|
A |
28 |
8 |
3548 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
36 |
9 |
3654 |
301.1 |
-0.7 |
0.478 |
3 |
0 |
0 |
0.000 |
4 |
|
F |
28 |
10 |
3534 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
22 |
7 |
3543 |
218.6 |
2.6 |
0.792 |
2 |
0 |
0 |
0.000 |
| Average: |
259.8 |
1.0 |
0.635 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
A |
34 |
6 |
3548 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
30 |
9 |
3543 |
299.5 |
-0.5 |
0.489 |
4 |
0 |
0 |
0.000 |
6 |
|
F |
31 |
7 |
3534 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
26 |
8 |
3654 |
238.9 |
-2.7 |
0.244 |
3 |
0 |
0 |
0.000 |
| Average: |
269.2 |
-1.6 |
0.366 |
4 |
0 |
0 |
0.000 |
| 4 |
7 |
|
J |
26 |
3 |
2774 |
◊ |
H |
x,y,z |
1_555 |
35 |
6 |
3315 |
275.2 |
-1.6 |
0.546 |
3 |
0 |
0 |
0.000 |
| 5 |
8 |
|
E |
27 |
3 |
2793 |
◊ |
C |
x,y,z |
1_555 |
35 |
7 |
3376 |
266.5 |
-1.9 |
0.514 |
3 |
0 |
0 |
0.008 |
| 6 |
9 |
|
J |
26 |
4 |
2774 |
◊ |
G |
x,y,z |
1_555 |
32 |
6 |
3654 |
262.3 |
-3.5 |
0.348 |
2 |
0 |
0 |
0.176 |
10 |
|
E |
26 |
3 |
2793 |
◊ |
B |
x,y,z |
1_555 |
33 |
6 |
3543 |
258.8 |
-2.5 |
0.460 |
3 |
0 |
0 |
0.176 |
| Average: |
260.6 |
-3.0 |
0.404 |
3 |
0 |
0 |
0.176 |
| 7 |
11 |
|
I |
29 |
6 |
2748 |
◊ |
G |
x,y,z |
1_555 |
37 |
11 |
3654 |
259.8 |
-4.0 |
0.621 |
6 |
0 |
0 |
0.286 |
12 |
|
D |
29 |
7 |
2761 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
3543 |
232.8 |
-5.1 |
0.466 |
4 |
0 |
0 |
0.286 |
| Average: |
246.3 |
-4.5 |
0.543 |
5 |
0 |
0 |
0.286 |
| 8 |
13 |
|
C |
29 |
8 |
3376 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
36 |
8 |
3315 |
246.6 |
-2.8 |
0.365 |
2 |
3 |
0 |
0.000 |
| 9 |
14 |
|
C |
25 |
7 |
3376 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
7 |
3315 |
244.3 |
3.4 |
0.843 |
3 |
4 |
0 |
0.000 |
| 10 |
15 |
|
[5IU]J:9 |
19 |
1 |
444 |
cf |
J |
x,y,z |
1_555 |
30 |
2 |
2774 |
239.6 |
3.4 |
0.720 |
0 |
0 |
0 |
0.000 |
16 |
|
[5IU]E:9 |
19 |
1 |
446 |
cf |
E |
x,y,z |
1_555 |
30 |
2 |
2793 |
236.4 |
3.9 |
0.733 |
0 |
0 |
0 |
0.000 |
| Average: |
238.0 |
3.6 |
0.727 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
E |
24 |
3 |
2793 |
◊ |
A |
x,y,z |
1_555 |
33 |
7 |
3548 |
238.4 |
-0.0 |
0.535 |
1 |
0 |
0 |
0.000 |
18 |
|
J |
25 |
3 |
2774 |
◊ |
F |
x,y,z |
1_555 |
35 |
6 |
3534 |
231.5 |
0.2 |
0.564 |
1 |
0 |
0 |
0.000 |
| Average: |
234.9 |
0.1 |
0.550 |
1 |
0 |
0 |
0.001 |
| 12 |
19 |
|
D |
23 |
4 |
2761 |
◊ |
C |
x,y,z |
1_555 |
32 |
10 |
3376 |
217.6 |
-4.5 |
0.526 |
4 |
0 |
0 |
0.015 |
20 |
|
I |
22 |
4 |
2748 |
◊ |
H |
x,y,z |
1_555 |
29 |
9 |
3315 |
202.5 |
-3.2 |
0.573 |
3 |
0 |
0 |
0.015 |
| Average: |
210.0 |
-3.8 |
0.549 |
4 |
0 |
0 |
0.015 |
| 13 |
21 |
|
F |
23 |
6 |
3534 |
◊ |
G |
x-1,y,z |
1_455 |
24 |
5 |
3654 |
213.5 |
0.1 |
0.605 |
2 |
0 |
0 |
0.000 |
22 |
|
A |
25 |
6 |
3548 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
6 |
3543 |
205.1 |
-0.4 |
0.532 |
2 |
0 |
0 |
0.000 |
| Average: |
209.3 |
-0.1 |
0.568 |
2 |
0 |
0 |
0.000 |
| 14 |
23 |
|
D |
25 |
4 |
2761 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
3548 |
199.5 |
-4.4 |
0.558 |
4 |
0 |
0 |
0.011 |
24 |
|
I |
23 |
4 |
2748 |
◊ |
F |
x,y,z |
1_555 |
31 |
10 |
3534 |
192.5 |
-4.1 |
0.541 |
3 |
0 |
0 |
0.011 |
| Average: |
196.0 |
-4.2 |
0.549 |
4 |
0 |
0 |
0.011 |
| 15 |
25 |
|
C |
18 |
6 |
3376 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
5 |
3543 |
170.5 |
1.4 |
0.702 |
3 |
5 |
0 |
0.000 |
| 16 |
26 |
|
D |
21 |
4 |
2761 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
7 |
3315 |
161.3 |
-2.1 |
0.626 |
1 |
0 |
0 |
0.000 |
| 17 |
27 |
|
A |
13 |
5 |
3548 |
◊ |
F |
x,y-1,z |
1_545 |
9 |
3 |
3534 |
124.6 |
-2.0 |
0.259 |
0 |
0 |
0 |
0.000 |
28 |
|
F |
10 |
4 |
3534 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
3548 |
113.3 |
-2.0 |
0.242 |
0 |
0 |
0 |
0.000 |
| Average: |
118.9 |
-2.0 |
0.250 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
D |
13 |
2 |
2761 |
◊ |
G |
x,y-1,z |
1_545 |
13 |
4 |
3654 |
118.1 |
-4.1 |
0.392 |
2 |
0 |
0 |
0.000 |
| 19 |
30 |
|
C |
12 |
4 |
3376 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
3 |
2748 |
110.9 |
0.6 |
0.746 |
2 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[5IU]J:9 |
7 |
1 |
444 |
◊ |
F |
x,y,z |
1_555 |
14 |
3 |
3534 |
93.2 |
-1.1 |
0.362 |
2 |
0 |
0 |
0.005 |
32 |
|
[5IU]E:9 |
7 |
1 |
446 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
3548 |
92.3 |
-1.5 |
0.347 |
3 |
0 |
0 |
0.005 |
| Average: |
92.7 |
-1.3 |
0.354 |
3 |
0 |
0 |
0.005 |
| 21 |
33 |
|
D |
14 |
1 |
2761 |
◊ |
I |
x,y-1,z |
1_545 |
12 |
1 |
2748 |
87.5 |
2.8 |
0.936 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
D |
14 |
1 |
2761 |
◊ |
J |
x,y,z |
1_555 |
13 |
1 |
2774 |
86.8 |
2.0 |
0.822 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
E |
13 |
1 |
2793 |
◊ |
I |
x,y-1,z |
1_545 |
13 |
1 |
2748 |
86.2 |
2.0 |
0.820 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
J |
11 |
1 |
2774 |
◊ |
E |
x,y,z |
1_555 |
12 |
1 |
2793 |
86.1 |
2.4 |
0.767 |
0 |
0 |
0 |
0.000 |
37 |
|
E |
11 |
1 |
2793 |
◊ |
J |
x,y-1,z |
1_545 |
13 |
1 |
2774 |
81.1 |
3.1 |
0.814 |
0 |
0 |
0 |
0.000 |
| Average: |
83.6 |
2.7 |
0.790 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
I |
13 |
1 |
2748 |
◊ |
D |
x,y,z |
1_555 |
11 |
1 |
2761 |
82.4 |
2.7 |
0.931 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
I |
11 |
2 |
2748 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
3543 |
78.6 |
-2.9 |
0.403 |
1 |
0 |
0 |
0.000 |
| 27 |
40 |
|
B |
10 |
3 |
3543 |
◊ |
G |
x,y-1,z |
1_545 |
7 |
1 |
3654 |
70.5 |
-0.8 |
0.425 |
1 |
0 |
0 |
0.000 |
41 |
|
G |
2 |
1 |
3654 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
3543 |
21.7 |
-0.5 |
0.330 |
0 |
0 |
0 |
0.000 |
| Average: |
46.1 |
-0.6 |
0.377 |
1 |
0 |
0 |
0.000 |
| 28 |
42 |
|
[5IU]J:9 |
5 |
1 |
444 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
2748 |
61.8 |
0.3 |
0.593 |
1 |
0 |
0 |
0.015 |
43 |
|
[5IU]E:9 |
5 |
1 |
446 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
2761 |
59.5 |
0.2 |
0.593 |
1 |
0 |
0 |
0.015 |
| Average: |
60.7 |
0.3 |
0.593 |
1 |
0 |
0 |
0.015 |
| 29 |
44 |
|
H |
9 |
4 |
3315 |
◊ |
G |
x-1,y,z |
1_455 |
8 |
5 |
3654 |
54.1 |
0.5 |
0.635 |
0 |
0 |
0 |
0.000 |
| 30 |
45 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
3376 |
52.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
46 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
3548 |
47.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
49.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.100 |
| 31 |
47 |
|
C |
4 |
1 |
3376 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
2774 |
48.1 |
-0.3 |
0.582 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
H |
6 |
3 |
3315 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
3376 |
41.2 |
-1.3 |
0.276 |
0 |
0 |
0 |
0.000 |
| 33 |
49 |
|
F |
3 |
1 |
3534 |
x |
F |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
3534 |
36.8 |
-1.2 |
0.182 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
2 |
1 |
3548 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
3548 |
30.2 |
-0.0 |
0.357 |
0 |
0 |
0 |
0.000 |
| Average: |
33.5 |
-0.6 |
0.269 |
0 |
0 |
0 |
0.000 |
| 34 |
51 |
|
E |
8 |
3 |
2793 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
3315 |
33.4 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
| 35 |
52 |
|
[5IU]J:9 |
4 |
1 |
444 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
3315 |
26.5 |
1.0 |
0.667 |
0 |
0 |
0 |
0.000 |
53 |
|
[5IU]E:9 |
1 |
1 |
446 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3376 |
0.6 |
0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
| Average: |
13.5 |
0.5 |
0.568 |
0 |
0 |
0 |
0.000 |
| 36 |
54 |
|
H |
3 |
2 |
3315 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
3534 |
18.3 |
0.8 |
0.840 |
0 |
0 |
0 |
0.000 |
55 |
|
C |
1 |
1 |
3376 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3548 |
0.1 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
| Average: |
9.2 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
| 37 |
56 |
|
D |
1 |
1 |
2761 |
◊ |
F |
x,y-1,z |
1_545 |
1 |
1 |
3534 |
16.1 |
-1.1 |
0.203 |
0 |
0 |
0 |
0.000 |
57 |
|
I |
1 |
1 |
2748 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3548 |
10.5 |
-0.7 |
0.242 |
0 |
0 |
0 |
0.000 |
| Average: |
13.3 |
-0.9 |
0.222 |
0 |
0 |
0 |
0.000 |
| 38 |
58 |
|
C |
4 |
2 |
3376 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
3654 |
14.8 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
| 39 |
59 |
|
A |
2 |
1 |
3548 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
2748 |
12.1 |
-0.2 |
0.580 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
B |
2 |
1 |
3543 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
3315 |
6.5 |
0.4 |
0.830 |
0 |
0 |
0 |
0.000 |
| 41 |
61 |
|
E |
2 |
1 |
2793 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
3376 |
2.1 |
0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
|