| ## |
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 |
|
J |
669 |
145 |
32347 |
◊ |
I |
x,y,z |
1_555 |
657 |
145 |
32382 |
6434.6 |
-73.3 |
0.980 |
366 |
0 |
0 |
0.830 |
| 2 |
2 |
|
F |
238 |
56 |
7769 |
◊ |
E |
x,y,z |
1_555 |
266 |
59 |
8652 |
2517.2 |
-40.6 |
0.042 |
21 |
4 |
0 |
1.000 |
3 |
|
B |
233 |
51 |
6981 |
◊ |
A |
x,y,z |
1_555 |
247 |
57 |
8645 |
2419.7 |
-40.1 |
0.043 |
21 |
2 |
0 |
1.000 |
| Average: |
2468.4 |
-40.4 |
0.043 |
21 |
3 |
0 |
1.000 |
| 3 |
4 |
|
D |
255 |
64 |
8252 |
◊ |
C |
x,y,z |
1_555 |
248 |
60 |
8891 |
2512.9 |
-45.8 |
0.021 |
21 |
6 |
0 |
1.000 |
5 |
|
H |
258 |
63 |
8274 |
◊ |
G |
x,y,z |
1_555 |
244 |
59 |
8858 |
2495.7 |
-46.1 |
0.022 |
21 |
7 |
0 |
1.000 |
| Average: |
2504.3 |
-46.0 |
0.021 |
21 |
7 |
0 |
1.000 |
| 4 |
6 |
|
J |
107 |
22 |
32347 |
◊ |
A |
x,y,z |
1_555 |
83 |
23 |
8645 |
803.1 |
-4.8 |
0.830 |
12 |
0 |
0 |
0.059 |
7 |
|
I |
97 |
20 |
32382 |
◊ |
E |
x,y,z |
1_555 |
76 |
21 |
8652 |
753.2 |
-5.9 |
0.781 |
11 |
0 |
0 |
0.059 |
| Average: |
778.1 |
-5.4 |
0.806 |
12 |
0 |
0 |
0.059 |
| 5 |
8 |
|
I |
93 |
18 |
32382 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
8645 |
706.8 |
-11.0 |
0.611 |
12 |
0 |
0 |
0.491 |
9 |
|
J |
87 |
17 |
32347 |
◊ |
E |
x,y,z |
1_555 |
73 |
21 |
8652 |
672.3 |
-12.4 |
0.556 |
12 |
0 |
0 |
0.491 |
| Average: |
689.6 |
-11.7 |
0.584 |
12 |
0 |
0 |
0.491 |
| 6 |
10 |
|
C |
64 |
17 |
8891 |
◊ |
E |
x,y,z |
1_555 |
64 |
20 |
8652 |
669.0 |
-8.5 |
0.272 |
7 |
0 |
0 |
0.838 |
11 |
|
G |
64 |
16 |
8858 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
8645 |
657.2 |
-8.0 |
0.292 |
7 |
0 |
0 |
0.838 |
| Average: |
663.1 |
-8.3 |
0.282 |
7 |
0 |
0 |
0.838 |
| 7 |
12 |
|
E |
61 |
15 |
8652 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
8645 |
603.1 |
-9.9 |
0.215 |
2 |
4 |
0 |
0.084 |
| 8 |
13 |
|
D |
53 |
13 |
8252 |
◊ |
B |
x,y,z |
1_555 |
53 |
12 |
6981 |
496.6 |
-1.4 |
0.717 |
8 |
4 |
0 |
0.052 |
14 |
|
H |
52 |
12 |
8274 |
◊ |
F |
x,y,z |
1_555 |
53 |
12 |
7769 |
485.5 |
-2.3 |
0.624 |
7 |
4 |
0 |
0.052 |
| Average: |
491.0 |
-1.9 |
0.671 |
8 |
4 |
0 |
0.052 |
| 9 |
15 |
|
J |
59 |
14 |
32347 |
◊ |
H |
x,y,z |
1_555 |
49 |
16 |
8274 |
451.4 |
-9.7 |
0.485 |
11 |
0 |
0 |
0.461 |
16 |
|
I |
62 |
14 |
32382 |
◊ |
D |
x,y,z |
1_555 |
49 |
16 |
8252 |
438.7 |
-9.7 |
0.501 |
11 |
0 |
0 |
0.461 |
| Average: |
445.0 |
-9.7 |
0.493 |
11 |
0 |
0 |
0.461 |
| 10 |
17 |
|
I |
56 |
14 |
32382 |
◊ |
G |
x,y,z |
1_555 |
48 |
18 |
8858 |
448.8 |
-5.9 |
0.591 |
10 |
0 |
0 |
0.123 |
18 |
|
J |
56 |
12 |
32347 |
◊ |
C |
x,y,z |
1_555 |
43 |
16 |
8891 |
425.6 |
-5.6 |
0.630 |
10 |
0 |
0 |
0.123 |
| Average: |
437.2 |
-5.8 |
0.610 |
10 |
0 |
0 |
0.123 |
| 11 |
19 |
|
J |
57 |
10 |
32347 |
◊ |
B |
x,y,z |
1_555 |
48 |
17 |
6981 |
439.5 |
-9.1 |
0.483 |
8 |
0 |
0 |
0.375 |
20 |
|
I |
38 |
8 |
32382 |
◊ |
F |
x,y,z |
1_555 |
42 |
15 |
7769 |
348.3 |
-7.9 |
0.388 |
7 |
0 |
0 |
0.375 |
| Average: |
393.9 |
-8.5 |
0.435 |
8 |
0 |
0 |
0.375 |
| 12 |
21 |
|
I |
55 |
13 |
32382 |
◊ |
C |
x,y,z |
1_555 |
50 |
13 |
8891 |
400.4 |
-5.3 |
0.634 |
6 |
0 |
0 |
0.061 |
22 |
|
J |
47 |
9 |
32347 |
◊ |
G |
x,y,z |
1_555 |
46 |
13 |
8858 |
375.0 |
-4.6 |
0.633 |
7 |
0 |
0 |
0.061 |
| Average: |
387.7 |
-5.0 |
0.634 |
7 |
0 |
0 |
0.061 |
| 13 |
23 |
|
G |
44 |
14 |
8858 |
◊ |
B |
x,y,z |
1_555 |
46 |
12 |
6981 |
393.0 |
-4.4 |
0.364 |
5 |
0 |
0 |
0.049 |
24 |
|
C |
43 |
15 |
8891 |
◊ |
F |
x,y,z |
1_555 |
49 |
12 |
7769 |
382.8 |
-4.7 |
0.323 |
4 |
0 |
0 |
0.049 |
| Average: |
387.9 |
-4.5 |
0.343 |
5 |
0 |
0 |
0.049 |
| 14 |
25 |
|
J |
39 |
8 |
32347 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
8252 |
326.0 |
-3.6 |
0.643 |
4 |
0 |
0 |
0.029 |
26 |
|
I |
40 |
7 |
32382 |
◊ |
H |
x,y,z |
1_555 |
34 |
12 |
8274 |
316.0 |
-2.4 |
0.712 |
6 |
0 |
0 |
0.029 |
| Average: |
321.0 |
-3.0 |
0.678 |
5 |
0 |
0 |
0.029 |
| 15 |
27 |
|
F |
26 |
8 |
7769 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
40 |
9 |
8891 |
287.1 |
0.2 |
0.690 |
2 |
4 |
0 |
0.004 |
| 16 |
28 |
|
F |
30 |
8 |
7769 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
8 |
8252 |
279.7 |
-1.0 |
0.610 |
3 |
1 |
0 |
0.009 |
| 17 |
29 |
|
H |
38 |
12 |
8274 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
6981 |
277.5 |
-0.5 |
0.704 |
5 |
1 |
0 |
0.055 |
30 |
|
D |
30 |
10 |
8252 |
◊ |
F |
x,y,z |
1_555 |
26 |
7 |
7769 |
238.6 |
-0.2 |
0.681 |
4 |
2 |
0 |
0.055 |
| Average: |
258.0 |
-0.3 |
0.693 |
5 |
2 |
0 |
0.055 |
| 18 |
31 |
|
J |
43 |
11 |
32347 |
◊ |
F |
x,y,z |
1_555 |
32 |
12 |
7769 |
273.8 |
-2.1 |
0.704 |
3 |
0 |
0 |
0.040 |
32 |
|
I |
42 |
12 |
32382 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
6981 |
266.0 |
-1.7 |
0.733 |
4 |
0 |
0 |
0.040 |
| Average: |
269.9 |
-1.9 |
0.719 |
4 |
0 |
0 |
0.040 |
| 19 |
33 |
|
G |
22 |
7 |
8858 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
8891 |
164.8 |
1.3 |
0.785 |
2 |
0 |
0 |
0.000 |
| 20 |
34 |
|
J |
17 |
3 |
32347 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
4 |
8252 |
121.6 |
-1.5 |
0.617 |
0 |
0 |
0 |
0.008 |
| 21 |
35 |
|
J |
16 |
3 |
32347 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
3 |
8645 |
111.6 |
-1.3 |
0.589 |
2 |
0 |
0 |
0.000 |
| 22 |
36 |
|
E |
15 |
5 |
8652 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
8891 |
106.7 |
1.4 |
0.791 |
3 |
0 |
0 |
0.000 |
| 23 |
37 |
|
J |
15 |
2 |
32347 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
15 |
2 |
32382 |
82.0 |
2.8 |
0.861 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
I |
11 |
3 |
32382 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
8252 |
79.5 |
-2.3 |
0.283 |
0 |
0 |
0 |
0.004 |
| 25 |
39 |
|
I |
13 |
3 |
32382 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
4 |
32347 |
73.0 |
-1.4 |
0.570 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
J |
10 |
1 |
32347 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
1 |
32347 |
72.2 |
1.4 |
0.756 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
E |
9 |
3 |
8652 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
8252 |
68.2 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
H |
10 |
3 |
8274 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
32382 |
66.6 |
-1.7 |
0.511 |
0 |
0 |
0 |
0.009 |
| 29 |
43 |
|
D |
5 |
2 |
8252 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8858 |
61.3 |
-0.5 |
0.482 |
1 |
0 |
0 |
0.011 |
44 |
|
H |
5 |
2 |
8274 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8891 |
58.0 |
-0.4 |
0.489 |
1 |
0 |
0 |
0.011 |
| Average: |
59.7 |
-0.4 |
0.485 |
1 |
0 |
0 |
0.011 |
| 30 |
45 |
|
[MN]J:1010 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32347 |
58.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.156 |
46 |
|
[MN]I:1003 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
32382 |
57.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.156 |
| Average: |
57.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.156 |
| 31 |
47 |
|
[MN]I:1008 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32382 |
53.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.131 |
48 |
|
[MN]J:1007 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32347 |
50.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.131 |
| Average: |
52.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.131 |
| 32 |
49 |
|
[MN]I:1009 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32382 |
53.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.130 |
50 |
|
[MN]J:1004 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32347 |
53.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
53.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.130 |
| 33 |
51 |
|
[MN]I:1011 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32382 |
53.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.122 |
52 |
|
[MN]J:1005 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
32347 |
48.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
51.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.122 |
| 34 |
53 |
|
[MN]J:1006 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32347 |
49.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.097 |
| 35 |
54 |
|
[MN]E:1001 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
8652 |
48.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.162 |
| 36 |
55 |
|
H |
4 |
2 |
8274 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
32347 |
48.1 |
0.5 |
0.606 |
1 |
0 |
0 |
0.000 |
| 37 |
56 |
|
G |
3 |
2 |
8858 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
2 |
32382 |
44.3 |
-0.6 |
0.569 |
1 |
0 |
0 |
0.000 |
| 38 |
57 |
|
G |
5 |
3 |
8858 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
8652 |
37.7 |
1.2 |
0.844 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
1 |
1 |
8891 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8645 |
6.3 |
0.3 |
0.834 |
0 |
0 |
0 |
0.000 |
| Average: |
22.0 |
0.7 |
0.839 |
0 |
0 |
0 |
0.000 |
| 39 |
59 |
|
[MN]E:1001 |
1 |
1 |
123 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
8252 |
36.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
| 40 |
60 |
|
I |
7 |
3 |
32382 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
2 |
32347 |
35.3 |
-2.4 |
0.372 |
0 |
0 |
0 |
0.000 |
| 41 |
61 |
|
[MN]I:1002 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32347 |
34.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.052 |
| 42 |
62 |
|
J |
3 |
2 |
32347 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
8891 |
30.6 |
-1.3 |
0.349 |
0 |
0 |
0 |
0.004 |
| 43 |
63 |
|
I |
5 |
2 |
32382 |
◊ |
[MN]J:1005 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
123 |
29.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
64 |
|
I |
6 |
2 |
32382 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
6981 |
27.8 |
1.6 |
0.822 |
0 |
0 |
0 |
0.000 |
| 45 |
65 |
|
[MN]I:1002 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
32382 |
26.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 46 |
66 |
|
[MN]I:1003 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
32347 |
25.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
67 |
|
[MN]J:1010 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
32382 |
24.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
24.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 47 |
68 |
|
[MN]J:1005 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
32382 |
22.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.011 |
69 |
|
[MN]I:1011 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
3 |
3 |
32347 |
18.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
20.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 48 |
70 |
|
[MN]J:1006 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
32382 |
18.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 49 |
71 |
|
J |
7 |
2 |
32347 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
32382 |
18.5 |
-0.3 |
0.512 |
0 |
0 |
0 |
0.000 |
| 50 |
72 |
|
H |
3 |
3 |
8274 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
8252 |
17.3 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
| 51 |
73 |
|
[MN]I:1002 |
1 |
1 |
123 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8252 |
14.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 52 |
74 |
|
[MN]E:1001 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7769 |
14.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| 53 |
75 |
|
[MN]E:1001 |
1 |
1 |
123 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8891 |
14.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 54 |
76 |
|
C |
2 |
2 |
8891 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6981 |
12.7 |
0.5 |
0.793 |
0 |
0 |
0 |
0.000 |
77 |
|
G |
1 |
1 |
8858 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7769 |
2.1 |
0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
| Average: |
7.4 |
0.3 |
0.741 |
0 |
0 |
0 |
0.000 |
| 55 |
78 |
|
[MN]J:1007 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32382 |
9.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
79 |
|
[MN]I:1008 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32347 |
6.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
7.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 56 |
80 |
|
[MN]I:1009 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32347 |
6.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
81 |
|
[MN]J:1004 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32382 |
6.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
6.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 57 |
82 |
|
I |
1 |
1 |
32382 |
x |
I |
x-1,y,z |
1_455 |
1 |
1 |
32382 |
0.6 |
-0.1 |
0.308 |
0 |
0 |
0 |
0.000 |
| 58 |
83 |
|
J |
1 |
1 |
32347 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32347 |
0.1 |
-0.0 |
0.395 |
0 |
0 |
0 |
0.000 |
|