## |
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 |
683 |
145 |
31909 |
◊ |
I |
x,y,z |
1_555 |
671 |
145 |
31924 |
6500.3 |
-66.6 |
0.983 |
360 |
0 |
0 |
0.977 |
2 |
2 |
|
F |
237 |
55 |
7682 |
◊ |
E |
x,y,z |
1_555 |
263 |
59 |
8577 |
2512.0 |
-42.5 |
0.040 |
23 |
3 |
0 |
1.000 |
3 |
|
B |
227 |
52 |
6906 |
◊ |
A |
x,y,z |
1_555 |
255 |
59 |
8513 |
2438.9 |
-38.3 |
0.084 |
21 |
4 |
0 |
1.000 |
Average: |
2475.5 |
-40.4 |
0.062 |
22 |
4 |
0 |
1.000 |
3 |
4 |
|
H |
251 |
62 |
8269 |
◊ |
G |
x,y,z |
1_555 |
244 |
58 |
8835 |
2480.5 |
-46.6 |
0.017 |
17 |
8 |
0 |
0.721 |
5 |
|
D |
244 |
60 |
8148 |
◊ |
C |
x,y,z |
1_555 |
236 |
58 |
8782 |
2431.9 |
-45.9 |
0.017 |
20 |
5 |
0 |
0.721 |
Average: |
2456.2 |
-46.2 |
0.017 |
19 |
7 |
0 |
0.721 |
4 |
6 |
|
J |
107 |
21 |
31909 |
◊ |
A |
x,y,z |
1_555 |
80 |
23 |
8513 |
811.2 |
-6.2 |
0.799 |
13 |
0 |
0 |
0.277 |
7 |
|
I |
99 |
21 |
31924 |
◊ |
E |
x,y,z |
1_555 |
80 |
24 |
8577 |
762.7 |
-5.0 |
0.815 |
13 |
0 |
0 |
0.277 |
Average: |
787.0 |
-5.6 |
0.807 |
13 |
0 |
0 |
0.277 |
5 |
8 |
|
I |
92 |
16 |
31924 |
◊ |
A |
x,y,z |
1_555 |
80 |
24 |
8513 |
729.2 |
-10.9 |
0.621 |
14 |
0 |
0 |
0.819 |
9 |
|
J |
86 |
16 |
31909 |
◊ |
E |
x,y,z |
1_555 |
75 |
22 |
8577 |
697.2 |
-12.2 |
0.547 |
13 |
0 |
0 |
0.819 |
Average: |
713.2 |
-11.6 |
0.584 |
14 |
0 |
0 |
0.819 |
6 |
10 |
|
C |
60 |
16 |
8782 |
◊ |
E |
x,y,z |
1_555 |
62 |
20 |
8577 |
646.4 |
-7.9 |
0.308 |
8 |
0 |
0 |
0.257 |
11 |
|
G |
58 |
16 |
8835 |
◊ |
A |
x,y,z |
1_555 |
61 |
20 |
8513 |
642.7 |
-7.6 |
0.295 |
8 |
0 |
0 |
0.257 |
Average: |
644.6 |
-7.7 |
0.301 |
8 |
0 |
0 |
0.257 |
7 |
12 |
|
E |
57 |
15 |
8577 |
◊ |
A |
x,y,z |
1_555 |
59 |
15 |
8513 |
624.6 |
-7.8 |
0.373 |
3 |
7 |
0 |
0.073 |
8 |
13 |
|
D |
54 |
13 |
8148 |
◊ |
B |
x,y,z |
1_555 |
56 |
12 |
6906 |
511.6 |
-0.7 |
0.764 |
6 |
4 |
0 |
0.074 |
14 |
|
H |
49 |
13 |
8269 |
◊ |
F |
x,y,z |
1_555 |
51 |
12 |
7682 |
474.7 |
-1.3 |
0.679 |
5 |
3 |
0 |
0.074 |
Average: |
493.2 |
-1.0 |
0.722 |
6 |
4 |
0 |
0.074 |
9 |
15 |
|
I |
62 |
13 |
31924 |
◊ |
G |
x,y,z |
1_555 |
46 |
16 |
8835 |
460.4 |
-2.8 |
0.693 |
11 |
0 |
0 |
0.395 |
16 |
|
J |
61 |
13 |
31909 |
◊ |
C |
x,y,z |
1_555 |
44 |
17 |
8782 |
443.8 |
-5.4 |
0.648 |
10 |
0 |
0 |
0.395 |
Average: |
452.1 |
-4.1 |
0.670 |
11 |
0 |
0 |
0.395 |
10 |
17 |
|
J |
61 |
14 |
31909 |
◊ |
H |
x,y,z |
1_555 |
50 |
14 |
8269 |
442.3 |
-9.9 |
0.461 |
11 |
0 |
0 |
0.479 |
18 |
|
I |
44 |
11 |
31924 |
◊ |
D |
x,y,z |
1_555 |
43 |
14 |
8148 |
398.9 |
-7.9 |
0.443 |
9 |
0 |
0 |
0.479 |
Average: |
420.6 |
-8.9 |
0.452 |
10 |
0 |
0 |
0.479 |
11 |
19 |
|
J |
51 |
10 |
31909 |
◊ |
B |
x,y,z |
1_555 |
48 |
18 |
6906 |
418.4 |
-9.6 |
0.411 |
8 |
0 |
0 |
0.941 |
20 |
|
I |
41 |
8 |
31924 |
◊ |
F |
x,y,z |
1_555 |
42 |
14 |
7682 |
351.2 |
-7.4 |
0.419 |
7 |
0 |
0 |
0.941 |
Average: |
384.8 |
-8.5 |
0.415 |
8 |
0 |
0 |
0.941 |
12 |
21 |
|
J |
54 |
11 |
31909 |
◊ |
G |
x,y,z |
1_555 |
42 |
13 |
8835 |
388.9 |
-4.1 |
0.672 |
7 |
0 |
0 |
0.167 |
22 |
|
I |
52 |
12 |
31924 |
◊ |
C |
x,y,z |
1_555 |
48 |
12 |
8782 |
388.9 |
-5.1 |
0.622 |
6 |
0 |
0 |
0.167 |
Average: |
388.9 |
-4.6 |
0.647 |
7 |
0 |
0 |
0.167 |
13 |
23 |
|
G |
44 |
14 |
8835 |
◊ |
B |
x,y,z |
1_555 |
43 |
11 |
6906 |
383.2 |
-4.1 |
0.371 |
5 |
0 |
0 |
0.182 |
24 |
|
C |
44 |
15 |
8782 |
◊ |
F |
x,y,z |
1_555 |
46 |
12 |
7682 |
375.6 |
-4.5 |
0.354 |
5 |
0 |
0 |
0.182 |
Average: |
379.4 |
-4.3 |
0.362 |
5 |
0 |
0 |
0.182 |
14 |
25 |
|
J |
40 |
9 |
31909 |
◊ |
D |
x,y,z |
1_555 |
34 |
12 |
8148 |
325.9 |
-4.5 |
0.588 |
5 |
0 |
0 |
0.060 |
26 |
|
I |
39 |
6 |
31924 |
◊ |
H |
x,y,z |
1_555 |
33 |
11 |
8269 |
313.8 |
-3.1 |
0.663 |
5 |
0 |
0 |
0.060 |
Average: |
319.9 |
-3.8 |
0.625 |
5 |
0 |
0 |
0.060 |
15 |
27 |
|
J |
47 |
13 |
31909 |
◊ |
F |
x,y,z |
1_555 |
35 |
12 |
7682 |
305.5 |
-3.3 |
0.655 |
4 |
0 |
0 |
0.138 |
28 |
|
I |
37 |
10 |
31924 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
6906 |
251.1 |
-1.3 |
0.727 |
5 |
0 |
0 |
0.138 |
Average: |
278.3 |
-2.3 |
0.691 |
5 |
0 |
0 |
0.138 |
16 |
29 |
|
F |
32 |
8 |
7682 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
10 |
8148 |
295.4 |
0.4 |
0.737 |
3 |
4 |
0 |
0.012 |
17 |
30 |
|
H |
35 |
12 |
8269 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
6906 |
273.8 |
-0.4 |
0.710 |
5 |
1 |
0 |
0.116 |
31 |
|
D |
32 |
10 |
8148 |
◊ |
F |
x,y,z |
1_555 |
28 |
7 |
7682 |
250.8 |
-0.9 |
0.652 |
5 |
2 |
0 |
0.116 |
Average: |
262.3 |
-0.6 |
0.681 |
5 |
2 |
0 |
0.116 |
18 |
32 |
|
F |
25 |
6 |
7682 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
9 |
8782 |
246.8 |
-1.8 |
0.514 |
2 |
3 |
0 |
0.006 |
19 |
33 |
|
[RUH]J:101 |
15 |
1 |
438 |
f |
J |
x,y,z |
1_555 |
27 |
3 |
31909 |
183.6 |
-0.8 |
0.568 |
0 |
0 |
0 |
0.100 |
20 |
34 |
|
[RUH]I:101 |
15 |
1 |
438 |
f |
I |
x,y,z |
1_555 |
24 |
3 |
31924 |
169.6 |
-2.0 |
0.464 |
1 |
0 |
0 |
0.116 |
21 |
35 |
|
G |
20 |
6 |
8835 |
◊ |
C |
x,y,z |
1_555 |
19 |
4 |
8782 |
153.9 |
0.9 |
0.753 |
3 |
0 |
0 |
0.002 |
22 |
36 |
|
J |
14 |
3 |
31909 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
4 |
8148 |
115.0 |
-0.1 |
0.699 |
1 |
0 |
0 |
0.001 |
23 |
37 |
|
E |
15 |
5 |
8577 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
8782 |
108.5 |
1.6 |
0.777 |
2 |
0 |
0 |
0.000 |
24 |
38 |
|
J |
15 |
3 |
31909 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
10 |
3 |
8513 |
106.9 |
-0.7 |
0.625 |
1 |
0 |
0 |
0.000 |
25 |
39 |
|
J |
13 |
1 |
31909 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
12 |
1 |
31924 |
86.8 |
2.9 |
0.858 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[SO4]H:201 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
8269 |
86.7 |
-13.5 |
0.785 |
4 |
0 |
0 |
0.494 |
27 |
41 |
|
I |
12 |
2 |
31924 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
3 |
31909 |
79.5 |
-1.1 |
0.573 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
I |
9 |
3 |
31924 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
5 |
8148 |
79.5 |
-1.7 |
0.457 |
1 |
0 |
0 |
0.017 |
29 |
43 |
|
[RUH]J:101 |
8 |
1 |
438 |
◊ |
I |
x,y,z |
1_555 |
12 |
4 |
31924 |
76.8 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.002 |
30 |
44 |
|
[RUH]J:102 |
4 |
1 |
227 |
◊ |
J |
x,y,z |
1_555 |
10 |
3 |
31909 |
68.5 |
-0.7 |
0.820 |
0 |
0 |
0 |
0.003 |
31 |
45 |
|
H |
10 |
4 |
8269 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
31924 |
68.2 |
-1.8 |
0.467 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
J |
9 |
1 |
31909 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
11 |
1 |
31909 |
67.7 |
1.3 |
0.749 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[SO4]D:201 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
8148 |
65.4 |
-9.4 |
0.739 |
3 |
0 |
0 |
0.139 |
34 |
48 |
|
[RUH]J:102 |
4 |
1 |
227 |
f |
I |
x,y,z |
1_555 |
10 |
4 |
31924 |
65.4 |
-0.9 |
0.786 |
1 |
0 |
0 |
0.065 |
35 |
49 |
|
[SO4]G:201 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8835 |
65.2 |
-9.9 |
0.730 |
5 |
0 |
0 |
0.280 |
36 |
50 |
|
[SO4]G:201 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
8269 |
62.7 |
-8.7 |
0.760 |
2 |
0 |
0 |
0.101 |
37 |
51 |
|
E |
9 |
3 |
8577 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
8148 |
62.6 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
D |
5 |
2 |
8148 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8835 |
58.7 |
-0.4 |
0.476 |
1 |
0 |
0 |
0.017 |
53 |
|
H |
7 |
3 |
8269 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8782 |
54.9 |
-0.5 |
0.521 |
1 |
0 |
0 |
0.017 |
Average: |
56.8 |
-0.5 |
0.499 |
1 |
0 |
0 |
0.017 |
39 |
54 |
|
[SO4]D:201 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8782 |
57.6 |
-8.6 |
0.722 |
5 |
0 |
0 |
0.433 |
40 |
55 |
|
[RUH]J:102 |
4 |
1 |
227 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
8148 |
56.1 |
-0.6 |
0.884 |
1 |
0 |
0 |
0.008 |
41 |
56 |
|
H |
6 |
3 |
8269 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
2 |
31909 |
54.7 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
[RUH]I:101 |
6 |
1 |
438 |
◊ |
J |
x,y,z |
1_555 |
10 |
4 |
31909 |
52.8 |
0.3 |
0.622 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
G |
3 |
2 |
8835 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
2 |
31924 |
41.0 |
-0.5 |
0.571 |
2 |
0 |
0 |
0.000 |
44 |
59 |
|
[MG]E:201 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
8577 |
37.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.169 |
45 |
60 |
|
G |
1 |
1 |
8835 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
8577 |
36.4 |
0.6 |
0.814 |
2 |
0 |
0 |
0.003 |
61 |
|
C |
1 |
1 |
8782 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8513 |
32.3 |
0.6 |
0.823 |
1 |
0 |
0 |
0.003 |
Average: |
34.4 |
0.6 |
0.819 |
2 |
0 |
0 |
0.003 |
46 |
62 |
|
[MG]E:201 |
1 |
1 |
98 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8148 |
29.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.028 |
47 |
63 |
|
[SO4]D:201 |
4 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
31909 |
23.6 |
-3.5 |
0.501 |
0 |
0 |
0 |
0.139 |
48 |
64 |
|
[SO4]G:201 |
3 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
31924 |
21.4 |
-3.4 |
0.347 |
0 |
0 |
0 |
0.063 |
49 |
65 |
|
I |
6 |
3 |
31924 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
31909 |
20.3 |
-0.6 |
0.503 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
J |
2 |
2 |
31909 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
8782 |
19.7 |
-0.5 |
0.448 |
0 |
0 |
0 |
0.000 |
51 |
67 |
|
[SO4]H:201 |
3 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
8835 |
14.3 |
-1.9 |
0.721 |
0 |
0 |
0 |
0.020 |
52 |
68 |
|
[MG]E:201 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8782 |
14.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
53 |
69 |
|
J |
1 |
1 |
31909 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
31909 |
10.0 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
54 |
70 |
|
H |
3 |
2 |
8269 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8148 |
9.6 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
[MG]E:201 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7682 |
9.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
72 |
|
I |
1 |
1 |
31924 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6906 |
3.7 |
0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
J |
1 |
1 |
31909 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6906 |
3.0 |
0.2 |
0.689 |
0 |
0 |
0 |
0.000 |
58 |
74 |
|
J |
1 |
1 |
31909 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
31924 |
1.5 |
-0.2 |
0.262 |
0 |
0 |
0 |
0.000 |
59 |
75 |
|
I |
1 |
1 |
31924 |
x |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
31924 |
0.3 |
-0.0 |
0.334 |
0 |
0 |
0 |
0.000 |
|