| ## |
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 |
|
I |
290 |
56 |
8007 |
◊ |
H |
x,y,z |
1_555 |
272 |
61 |
7842 |
2681.3 |
-46.1 |
0.166 |
17 |
6 |
0 |
0.776 |
2 |
|
G |
287 |
56 |
8005 |
◊ |
F |
x,y,z |
1_555 |
272 |
61 |
7853 |
2677.7 |
-46.2 |
0.162 |
16 |
6 |
0 |
0.776 |
| Average: |
2679.5 |
-46.2 |
0.164 |
17 |
6 |
0 |
0.776 |
| 2 |
3 |
|
D |
93 |
20 |
4746 |
◊ |
C |
x,y,z |
1_555 |
86 |
19 |
4812 |
851.6 |
-10.6 |
0.831 |
35 |
0 |
0 |
1.000 |
4 |
|
B |
93 |
20 |
4747 |
◊ |
A |
x,y,z |
1_555 |
86 |
19 |
4816 |
851.1 |
-10.6 |
0.831 |
35 |
0 |
0 |
1.000 |
| Average: |
851.3 |
-10.6 |
0.831 |
35 |
0 |
0 |
1.000 |
| 3 |
5 |
|
N |
89 |
32 |
15962 |
◊ |
M |
x,y,z |
1_555 |
90 |
32 |
15959 |
761.5 |
-4.2 |
0.419 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
D |
59 |
7 |
4746 |
◊ |
N |
x,y,z |
1_555 |
63 |
18 |
15962 |
590.0 |
-7.7 |
0.532 |
9 |
0 |
0 |
1.000 |
7 |
|
M |
63 |
18 |
15959 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
60 |
7 |
4747 |
583.7 |
-7.6 |
0.542 |
8 |
0 |
0 |
1.000 |
| Average: |
586.9 |
-7.6 |
0.537 |
9 |
0 |
0 |
1.000 |
| 5 |
8 |
|
C |
51 |
9 |
4812 |
◊ |
N |
x,y,z |
1_555 |
39 |
15 |
15962 |
411.6 |
-1.4 |
0.832 |
10 |
0 |
0 |
0.144 |
9 |
|
M |
38 |
15 |
15959 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
9 |
4816 |
406.8 |
-1.4 |
0.840 |
11 |
0 |
0 |
0.144 |
| Average: |
409.2 |
-1.4 |
0.836 |
11 |
0 |
0 |
0.144 |
| 6 |
10 |
|
G |
37 |
10 |
8005 |
◊ |
N |
x,y,z |
1_555 |
56 |
19 |
15962 |
399.3 |
2.0 |
0.811 |
5 |
4 |
0 |
0.010 |
11 |
|
I |
35 |
10 |
8007 |
◊ |
M |
x,y,z |
1_555 |
55 |
19 |
15959 |
398.8 |
1.9 |
0.808 |
5 |
4 |
0 |
0.010 |
| Average: |
399.0 |
2.0 |
0.809 |
5 |
4 |
0 |
0.010 |
| 7 |
12 |
|
D |
41 |
9 |
4746 |
◊ |
G |
x,y,z |
1_555 |
39 |
13 |
8005 |
328.8 |
-5.5 |
0.586 |
4 |
0 |
0 |
0.081 |
13 |
|
I |
39 |
13 |
8007 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
41 |
9 |
4747 |
317.6 |
-5.4 |
0.593 |
3 |
0 |
0 |
0.081 |
| Average: |
323.2 |
-5.4 |
0.589 |
4 |
0 |
0 |
0.081 |
| 8 |
14 |
|
H |
35 |
13 |
7842 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
37 |
9 |
4746 |
327.9 |
-4.4 |
0.626 |
5 |
0 |
0 |
0.099 |
15 |
|
B |
36 |
9 |
4747 |
◊ |
F |
x,y,z |
1_555 |
35 |
13 |
7853 |
316.1 |
-4.3 |
0.621 |
5 |
0 |
0 |
0.099 |
| Average: |
322.0 |
-4.4 |
0.623 |
5 |
0 |
0 |
0.099 |
| 9 |
16 |
|
C |
31 |
6 |
4812 |
◊ |
G |
x,y,z |
1_555 |
40 |
9 |
8005 |
320.6 |
-5.3 |
0.606 |
5 |
0 |
0 |
0.084 |
17 |
|
I |
40 |
9 |
8007 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
6 |
4816 |
317.8 |
-5.2 |
0.616 |
5 |
0 |
0 |
0.084 |
| Average: |
319.2 |
-5.2 |
0.611 |
5 |
0 |
0 |
0.084 |
| 10 |
18 |
|
A |
31 |
6 |
4816 |
◊ |
F |
x,y,z |
1_555 |
38 |
9 |
7853 |
311.2 |
-6.7 |
0.519 |
3 |
0 |
0 |
0.122 |
19 |
|
H |
38 |
9 |
7842 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
31 |
6 |
4812 |
310.9 |
-6.8 |
0.518 |
3 |
0 |
0 |
0.122 |
| Average: |
311.0 |
-6.7 |
0.518 |
3 |
0 |
0 |
0.122 |
| 11 |
20 |
|
M |
31 |
11 |
15959 |
◊ |
I |
x,y,z-1 |
1_554 |
32 |
7 |
8007 |
298.1 |
-1.5 |
0.472 |
2 |
2 |
0 |
0.000 |
21 |
|
N |
31 |
11 |
15962 |
◊ |
G |
x,y,z-1 |
1_554 |
32 |
7 |
8005 |
293.6 |
-1.4 |
0.479 |
2 |
2 |
0 |
0.000 |
| Average: |
295.9 |
-1.5 |
0.476 |
2 |
2 |
0 |
0.000 |
| 12 |
22 |
|
M |
35 |
10 |
15959 |
◊ |
H |
x,y,z-1 |
1_554 |
24 |
6 |
7842 |
227.0 |
-1.3 |
0.575 |
1 |
0 |
0 |
0.000 |
23 |
|
N |
36 |
10 |
15962 |
◊ |
F |
x,y,z-1 |
1_554 |
24 |
6 |
7853 |
226.0 |
-1.4 |
0.568 |
1 |
0 |
0 |
0.000 |
| Average: |
226.5 |
-1.4 |
0.572 |
1 |
0 |
0 |
0.000 |
| 13 |
24 |
|
F |
18 |
5 |
7853 |
◊ |
N |
x,y,z |
1_555 |
18 |
6 |
15962 |
176.7 |
-0.7 |
0.393 |
2 |
0 |
0 |
0.011 |
25 |
|
H |
18 |
5 |
7842 |
◊ |
M |
x,y,z |
1_555 |
18 |
6 |
15959 |
175.3 |
-0.7 |
0.399 |
2 |
0 |
0 |
0.011 |
| Average: |
176.0 |
-0.7 |
0.396 |
2 |
0 |
0 |
0.011 |
| 14 |
26 |
|
N |
21 |
7 |
15962 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
4 |
8005 |
173.5 |
-0.7 |
0.568 |
0 |
0 |
0 |
0.000 |
27 |
|
I |
19 |
4 |
8007 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
7 |
15959 |
173.3 |
-0.7 |
0.570 |
0 |
0 |
0 |
0.000 |
| Average: |
173.4 |
-0.7 |
0.569 |
0 |
0 |
0 |
0.000 |
| 15 |
28 |
|
B |
22 |
3 |
4747 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
4 |
4816 |
166.7 |
1.1 |
0.806 |
1 |
0 |
0 |
0.000 |
29 |
|
C |
22 |
4 |
4812 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
3 |
4746 |
163.0 |
1.1 |
0.808 |
1 |
0 |
0 |
0.000 |
| Average: |
164.9 |
1.1 |
0.807 |
1 |
0 |
0 |
0.000 |
| 16 |
30 |
|
I |
14 |
5 |
8007 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
16 |
3 |
4746 |
126.2 |
-5.9 |
0.267 |
3 |
0 |
0 |
0.052 |
31 |
|
B |
15 |
3 |
4747 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
8005 |
123.7 |
-5.8 |
0.262 |
3 |
0 |
0 |
0.052 |
| Average: |
124.9 |
-5.9 |
0.264 |
3 |
0 |
0 |
0.052 |
| 17 |
32 |
|
H |
14 |
3 |
7842 |
◊ |
N |
x,y,z |
1_555 |
13 |
4 |
15962 |
122.2 |
-0.5 |
0.605 |
0 |
0 |
0 |
0.000 |
33 |
|
F |
14 |
3 |
7853 |
◊ |
M |
x,y,z |
1_555 |
13 |
4 |
15959 |
122.2 |
-0.5 |
0.603 |
0 |
0 |
0 |
0.000 |
| Average: |
122.2 |
-0.5 |
0.604 |
0 |
0 |
0 |
0.000 |
| 18 |
34 |
|
D |
14 |
3 |
4746 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
7853 |
110.3 |
-5.2 |
0.266 |
1 |
0 |
0 |
0.040 |
35 |
|
H |
13 |
4 |
7842 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
3 |
4747 |
107.1 |
-5.0 |
0.279 |
1 |
0 |
0 |
0.040 |
| Average: |
108.7 |
-5.1 |
0.273 |
1 |
0 |
0 |
0.040 |
| 19 |
36 |
|
C |
11 |
2 |
4812 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
7853 |
97.1 |
-4.4 |
0.273 |
0 |
0 |
0 |
0.031 |
37 |
|
H |
12 |
4 |
7842 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
2 |
4816 |
96.5 |
-4.4 |
0.271 |
0 |
0 |
0 |
0.031 |
| Average: |
96.8 |
-4.4 |
0.272 |
0 |
0 |
0 |
0.031 |
| 20 |
38 |
|
D |
11 |
1 |
4746 |
x |
D |
x,y,z-1 |
1_554 |
12 |
1 |
4746 |
87.6 |
-0.1 |
0.647 |
1 |
0 |
0 |
0.000 |
39 |
|
B |
12 |
1 |
4747 |
x |
B |
x,y,z-1 |
1_554 |
11 |
1 |
4747 |
87.2 |
-0.1 |
0.644 |
1 |
0 |
0 |
0.000 |
| Average: |
87.4 |
-0.1 |
0.645 |
1 |
0 |
0 |
0.000 |
| 21 |
40 |
|
A |
8 |
2 |
4816 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
8005 |
81.6 |
-3.6 |
0.324 |
0 |
0 |
0 |
0.026 |
41 |
|
I |
11 |
3 |
8007 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
2 |
4812 |
80.9 |
-3.6 |
0.326 |
0 |
0 |
0 |
0.026 |
| Average: |
81.3 |
-3.6 |
0.325 |
0 |
0 |
0 |
0.026 |
| 22 |
42 |
|
H |
8 |
4 |
7842 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
6 |
8005 |
79.5 |
1.1 |
0.823 |
0 |
0 |
0 |
0.000 |
43 |
|
I |
12 |
6 |
8007 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
7853 |
72.6 |
1.0 |
0.817 |
0 |
0 |
0 |
0.000 |
| Average: |
76.0 |
1.1 |
0.820 |
0 |
0 |
0 |
0.000 |
| 23 |
44 |
|
C |
13 |
3 |
4812 |
◊ |
G |
x,y,z-1 |
1_554 |
7 |
1 |
8005 |
73.3 |
0.5 |
0.796 |
0 |
0 |
0 |
0.000 |
45 |
|
I |
7 |
1 |
8007 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
3 |
4816 |
72.3 |
0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
| Average: |
72.8 |
0.5 |
0.797 |
0 |
0 |
0 |
0.000 |
| 24 |
46 |
|
H |
7 |
3 |
7842 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
15959 |
65.9 |
-0.5 |
0.558 |
0 |
0 |
0 |
0.000 |
47 |
|
N |
10 |
5 |
15962 |
◊ |
F |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
7853 |
64.0 |
-0.5 |
0.559 |
0 |
0 |
0 |
0.000 |
| Average: |
65.0 |
-0.5 |
0.559 |
0 |
0 |
0 |
0.000 |
| 25 |
48 |
|
A |
9 |
1 |
4816 |
x |
A |
x,y,z-1 |
1_554 |
10 |
1 |
4816 |
54.3 |
0.9 |
0.776 |
0 |
0 |
0 |
0.000 |
49 |
|
C |
10 |
1 |
4812 |
x |
C |
x,y,z-1 |
1_554 |
9 |
1 |
4812 |
53.4 |
0.9 |
0.775 |
0 |
0 |
0 |
0.000 |
| Average: |
53.8 |
0.9 |
0.776 |
0 |
0 |
0 |
0.000 |
| 26 |
50 |
|
[MG]G:1 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
8005 |
50.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.226 |
51 |
|
[MG]H:1 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
6 |
7842 |
50.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.226 |
52 |
|
[MG]I:1 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
6 |
8007 |
50.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.226 |
53 |
|
[MG]F:1 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
7853 |
50.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.226 |
| Average: |
50.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.226 |
| 27 |
54 |
|
M |
2 |
1 |
15959 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
4747 |
37.2 |
1.5 |
0.846 |
0 |
0 |
0 |
0.000 |
55 |
|
N |
2 |
1 |
15962 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
4746 |
36.7 |
1.6 |
0.849 |
0 |
0 |
0 |
0.000 |
| Average: |
37.0 |
1.6 |
0.848 |
0 |
0 |
0 |
0.000 |
| 28 |
56 |
|
N |
2 |
2 |
15962 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
2 |
4816 |
24.5 |
-1.2 |
0.264 |
0 |
0 |
0 |
0.000 |
57 |
|
M |
2 |
2 |
15959 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
4812 |
20.5 |
-1.0 |
0.298 |
0 |
0 |
0 |
0.000 |
| Average: |
22.5 |
-1.1 |
0.281 |
0 |
0 |
0 |
0.000 |
| 29 |
58 |
|
[MG]I:1 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
4816 |
4.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.007 |
59 |
|
[MG]G:1 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4812 |
2.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 30 |
60 |
|
C |
2 |
1 |
4812 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
7853 |
4.0 |
0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
61 |
|
H |
1 |
1 |
7842 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
4816 |
2.4 |
0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| Average: |
3.2 |
0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
| 31 |
62 |
|
[MG]F:1 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4816 |
3.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
63 |
|
[MG]H:1 |
1 |
1 |
98 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
4812 |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
2.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 32 |
64 |
|
A |
1 |
1 |
4816 |
◊ |
N |
x,y,z |
1_555 |
3 |
1 |
15962 |
2.4 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
65 |
|
M |
2 |
1 |
15959 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
4812 |
0.4 |
-0.0 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
1.4 |
-0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
|