| ## |
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 |
686 |
145 |
32026 |
◊ |
I |
x,y,z |
1_555 |
678 |
145 |
32002 |
6395.9 |
-68.6 |
0.978 |
361 |
0 |
0 |
1.000 |
| 2 |
2 |
|
F |
235 |
55 |
7684 |
◊ |
E |
x,y,z |
1_555 |
264 |
59 |
8617 |
2513.1 |
-42.7 |
0.042 |
23 |
4 |
0 |
1.000 |
3 |
|
B |
233 |
52 |
6931 |
◊ |
A |
x,y,z |
1_555 |
248 |
60 |
8594 |
2433.2 |
-38.2 |
0.068 |
19 |
4 |
0 |
1.000 |
| Average: |
2473.1 |
-40.5 |
0.055 |
21 |
4 |
0 |
1.000 |
| 3 |
4 |
|
H |
254 |
63 |
8271 |
◊ |
G |
x,y,z |
1_555 |
248 |
58 |
8886 |
2472.4 |
-46.0 |
0.025 |
20 |
6 |
0 |
0.724 |
5 |
|
D |
257 |
63 |
8168 |
◊ |
C |
x,y,z |
1_555 |
244 |
60 |
8858 |
2468.0 |
-45.7 |
0.025 |
21 |
8 |
0 |
0.724 |
| Average: |
2470.2 |
-45.8 |
0.025 |
21 |
7 |
0 |
0.724 |
| 4 |
6 |
|
J |
101 |
19 |
32026 |
◊ |
A |
x,y,z |
1_555 |
79 |
22 |
8594 |
790.9 |
-4.3 |
0.819 |
14 |
0 |
0 |
0.772 |
7 |
|
I |
102 |
19 |
32002 |
◊ |
E |
x,y,z |
1_555 |
77 |
22 |
8617 |
761.0 |
-7.1 |
0.759 |
14 |
0 |
0 |
0.772 |
| Average: |
776.0 |
-5.7 |
0.789 |
14 |
0 |
0 |
0.772 |
| 5 |
8 |
|
I |
91 |
17 |
32002 |
◊ |
A |
x,y,z |
1_555 |
76 |
24 |
8594 |
721.1 |
-10.8 |
0.599 |
14 |
0 |
0 |
0.996 |
9 |
|
J |
83 |
17 |
32026 |
◊ |
E |
x,y,z |
1_555 |
73 |
20 |
8617 |
685.4 |
-13.1 |
0.499 |
14 |
0 |
0 |
0.996 |
| Average: |
703.3 |
-11.9 |
0.549 |
14 |
0 |
0 |
0.996 |
| 6 |
10 |
|
G |
60 |
16 |
8886 |
◊ |
A |
x,y,z |
1_555 |
64 |
21 |
8594 |
663.2 |
-7.7 |
0.302 |
8 |
0 |
0 |
0.106 |
11 |
|
C |
62 |
17 |
8858 |
◊ |
E |
x,y,z |
1_555 |
59 |
20 |
8617 |
647.4 |
-7.8 |
0.311 |
7 |
0 |
0 |
0.106 |
| Average: |
655.3 |
-7.8 |
0.307 |
8 |
0 |
0 |
0.106 |
| 7 |
12 |
|
E |
58 |
15 |
8617 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
8594 |
608.2 |
-9.8 |
0.234 |
2 |
4 |
0 |
0.074 |
| 8 |
13 |
|
D |
54 |
13 |
8168 |
◊ |
B |
x,y,z |
1_555 |
51 |
11 |
6931 |
494.5 |
-1.5 |
0.707 |
6 |
4 |
0 |
0.130 |
14 |
|
H |
48 |
12 |
8271 |
◊ |
F |
x,y,z |
1_555 |
52 |
11 |
7684 |
470.6 |
-1.8 |
0.657 |
6 |
2 |
0 |
0.130 |
| Average: |
482.6 |
-1.6 |
0.682 |
6 |
3 |
0 |
0.130 |
| 9 |
15 |
|
I |
61 |
13 |
32002 |
◊ |
G |
x,y,z |
1_555 |
46 |
18 |
8886 |
469.3 |
-4.2 |
0.655 |
14 |
0 |
0 |
0.404 |
16 |
|
J |
58 |
13 |
32026 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
8858 |
444.9 |
-5.6 |
0.616 |
9 |
0 |
0 |
0.404 |
| Average: |
457.1 |
-4.9 |
0.636 |
12 |
0 |
0 |
0.404 |
| 10 |
17 |
|
J |
58 |
13 |
32026 |
◊ |
H |
x,y,z |
1_555 |
49 |
15 |
8271 |
448.9 |
-10.6 |
0.430 |
11 |
0 |
0 |
0.482 |
18 |
|
I |
57 |
14 |
32002 |
◊ |
D |
x,y,z |
1_555 |
46 |
16 |
8168 |
414.9 |
-7.7 |
0.539 |
8 |
0 |
0 |
0.482 |
| Average: |
431.9 |
-9.1 |
0.484 |
10 |
0 |
0 |
0.482 |
| 11 |
19 |
|
J |
54 |
10 |
32026 |
◊ |
B |
x,y,z |
1_555 |
45 |
17 |
6931 |
411.9 |
-8.3 |
0.466 |
7 |
0 |
0 |
0.446 |
20 |
|
I |
43 |
9 |
32002 |
◊ |
F |
x,y,z |
1_555 |
42 |
14 |
7684 |
366.0 |
-7.8 |
0.395 |
8 |
0 |
0 |
0.446 |
| Average: |
389.0 |
-8.1 |
0.431 |
8 |
0 |
0 |
0.446 |
| 12 |
21 |
|
J |
52 |
11 |
32026 |
◊ |
G |
x,y,z |
1_555 |
45 |
13 |
8886 |
385.4 |
-4.2 |
0.658 |
8 |
0 |
0 |
0.294 |
22 |
|
I |
53 |
12 |
32002 |
◊ |
C |
x,y,z |
1_555 |
45 |
12 |
8858 |
376.3 |
-4.8 |
0.628 |
6 |
0 |
0 |
0.294 |
| Average: |
380.9 |
-4.5 |
0.643 |
7 |
0 |
0 |
0.294 |
| 13 |
23 |
|
C |
42 |
15 |
8858 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
7684 |
380.4 |
-4.8 |
0.324 |
4 |
0 |
0 |
0.257 |
24 |
|
G |
42 |
14 |
8886 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
6931 |
377.1 |
-4.6 |
0.335 |
5 |
0 |
0 |
0.257 |
| Average: |
378.7 |
-4.7 |
0.329 |
5 |
0 |
0 |
0.257 |
| 14 |
25 |
|
J |
40 |
7 |
32026 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
8168 |
329.3 |
-4.9 |
0.578 |
4 |
0 |
0 |
0.182 |
26 |
|
I |
36 |
6 |
32002 |
◊ |
H |
x,y,z |
1_555 |
34 |
11 |
8271 |
301.3 |
-3.0 |
0.653 |
5 |
0 |
0 |
0.182 |
| Average: |
315.3 |
-4.0 |
0.615 |
5 |
0 |
0 |
0.182 |
| 15 |
27 |
|
J |
45 |
12 |
32026 |
◊ |
F |
x,y,z |
1_555 |
33 |
13 |
7684 |
293.1 |
-1.8 |
0.709 |
3 |
0 |
0 |
0.040 |
28 |
|
I |
37 |
10 |
32002 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
6931 |
242.5 |
-0.9 |
0.739 |
4 |
0 |
0 |
0.040 |
| Average: |
267.8 |
-1.3 |
0.724 |
4 |
0 |
0 |
0.040 |
| 16 |
29 |
|
F |
31 |
8 |
7684 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
9 |
8858 |
271.8 |
0.4 |
0.702 |
2 |
4 |
0 |
0.003 |
| 17 |
30 |
|
H |
35 |
11 |
8271 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
6931 |
264.3 |
-0.4 |
0.706 |
5 |
1 |
0 |
0.027 |
31 |
|
D |
31 |
9 |
8168 |
◊ |
F |
x,y,z |
1_555 |
28 |
7 |
7684 |
231.4 |
-1.0 |
0.640 |
3 |
1 |
0 |
0.027 |
| Average: |
247.8 |
-0.7 |
0.673 |
4 |
1 |
0 |
0.027 |
| 18 |
32 |
|
F |
29 |
7 |
7684 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
8 |
8168 |
250.4 |
0.3 |
0.701 |
3 |
1 |
0 |
0.004 |
| 19 |
33 |
|
G |
21 |
7 |
8886 |
◊ |
C |
x,y,z |
1_555 |
22 |
7 |
8858 |
164.6 |
1.0 |
0.761 |
2 |
0 |
0 |
0.000 |
| 20 |
34 |
|
[RAX]G:202 |
13 |
1 |
420 |
◊ |
G |
x,y,z |
1_555 |
18 |
5 |
8886 |
140.9 |
0.8 |
0.227 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
J |
17 |
3 |
32026 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
4 |
8168 |
115.7 |
-0.9 |
0.658 |
1 |
0 |
0 |
0.005 |
| 22 |
36 |
|
J |
13 |
3 |
32026 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
11 |
3 |
8594 |
111.5 |
-0.8 |
0.620 |
1 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[RAX]H:202 |
12 |
1 |
418 |
f |
H |
x,y,z |
1_555 |
13 |
3 |
8271 |
107.9 |
-0.2 |
0.175 |
0 |
0 |
0 |
0.007 |
| 24 |
38 |
|
E |
14 |
5 |
8617 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
8858 |
94.3 |
0.9 |
0.747 |
2 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[SO4]H:201 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
8271 |
91.3 |
-14.2 |
0.806 |
5 |
0 |
0 |
0.511 |
| 26 |
40 |
|
I |
11 |
3 |
32002 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
8168 |
90.7 |
-2.8 |
0.285 |
0 |
0 |
0 |
0.010 |
| 27 |
41 |
|
J |
13 |
1 |
32026 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
12 |
1 |
32002 |
82.2 |
2.7 |
0.846 |
1 |
0 |
0 |
0.000 |
| 28 |
42 |
|
I |
12 |
3 |
32002 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
13 |
5 |
32026 |
81.2 |
-0.8 |
0.612 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
[SO4]D:1101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8168 |
67.9 |
-9.9 |
0.728 |
2 |
0 |
0 |
0.294 |
| 30 |
44 |
|
J |
9 |
1 |
32026 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
1 |
32026 |
67.2 |
1.4 |
0.748 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
E |
9 |
3 |
8617 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
8168 |
63.8 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
| 32 |
46 |
|
[SO4]G:201 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
8271 |
61.8 |
-8.4 |
0.764 |
3 |
0 |
0 |
0.105 |
| 33 |
47 |
|
[SO4]G:201 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
8886 |
61.3 |
-9.3 |
0.741 |
5 |
0 |
0 |
0.446 |
| 34 |
48 |
|
[RAX]G:202 |
9 |
1 |
420 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8271 |
61.0 |
1.0 |
0.302 |
0 |
0 |
0 |
0.000 |
| 35 |
49 |
|
D |
5 |
2 |
8168 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8886 |
59.2 |
-0.2 |
0.548 |
1 |
0 |
0 |
0.011 |
50 |
|
H |
5 |
1 |
8271 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8858 |
51.1 |
-0.5 |
0.476 |
0 |
0 |
0 |
0.011 |
| Average: |
55.2 |
-0.4 |
0.512 |
1 |
0 |
0 |
0.011 |
| 36 |
51 |
|
[RAX]H:202 |
4 |
1 |
418 |
◊ |
[RAX]G:202 |
x,y,z |
1_555 |
6 |
1 |
420 |
58.3 |
2.2 |
0.343 |
0 |
0 |
0 |
0.000 |
| 37 |
52 |
|
H |
8 |
2 |
8271 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
32002 |
57.8 |
-2.6 |
0.286 |
0 |
0 |
0 |
0.011 |
| 38 |
53 |
|
[SO4]D:1101 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
8858 |
56.0 |
-8.4 |
0.725 |
5 |
0 |
0 |
0.137 |
| 39 |
54 |
|
G |
4 |
2 |
8886 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
2 |
32002 |
49.2 |
-1.0 |
0.509 |
1 |
0 |
0 |
0.000 |
| 40 |
55 |
|
H |
4 |
2 |
8271 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
32026 |
44.9 |
0.1 |
0.598 |
1 |
0 |
0 |
0.001 |
| 41 |
56 |
|
[MG]E:1001 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
8617 |
38.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.224 |
| 42 |
57 |
|
G |
4 |
2 |
8886 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8617 |
28.0 |
0.9 |
0.858 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
1 |
1 |
8858 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8594 |
3.1 |
0.1 |
0.800 |
0 |
0 |
0 |
0.000 |
| Average: |
15.5 |
0.5 |
0.829 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
8168 |
27.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 44 |
60 |
|
[SO4]G:201 |
3 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
32002 |
24.5 |
-3.8 |
0.407 |
0 |
0 |
0 |
0.147 |
| 45 |
61 |
|
[SO4]D:1101 |
4 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
32026 |
20.8 |
-3.1 |
0.519 |
0 |
0 |
0 |
0.084 |
| 46 |
62 |
|
J |
2 |
2 |
32026 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8858 |
20.7 |
-0.4 |
0.446 |
0 |
0 |
0 |
0.001 |
| 47 |
63 |
|
[RAX]H:202 |
4 |
1 |
418 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
8886 |
20.6 |
0.8 |
0.486 |
0 |
0 |
0 |
0.000 |
| 48 |
64 |
|
I |
3 |
1 |
32002 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
8617 |
18.0 |
0.4 |
0.661 |
0 |
0 |
0 |
0.000 |
| 49 |
65 |
|
I |
5 |
2 |
32002 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
32026 |
14.2 |
-0.4 |
0.507 |
0 |
0 |
0 |
0.000 |
| 50 |
66 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8858 |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 51 |
67 |
|
I |
2 |
1 |
32002 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
6931 |
12.2 |
0.5 |
0.717 |
0 |
0 |
0 |
0.000 |
| 52 |
68 |
|
[MG]E:1001 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7684 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 53 |
69 |
|
J |
2 |
1 |
32026 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32026 |
8.9 |
-0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
| 54 |
70 |
|
C |
2 |
2 |
8858 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6931 |
8.1 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
71 |
|
G |
2 |
2 |
8886 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
7684 |
5.7 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
| Average: |
6.9 |
0.3 |
0.752 |
0 |
0 |
0 |
0.000 |
| 55 |
72 |
|
[RAX]H:202 |
1 |
1 |
418 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
32002 |
7.1 |
0.2 |
0.437 |
0 |
0 |
0 |
0.000 |
| 56 |
73 |
|
[RAX]H:202 |
1 |
1 |
418 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
32026 |
6.1 |
-0.1 |
0.315 |
0 |
0 |
0 |
0.000 |
| 57 |
74 |
|
H |
3 |
3 |
8271 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
8168 |
4.4 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
| 58 |
75 |
|
I |
2 |
1 |
32002 |
x |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
32002 |
3.4 |
-0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
| 59 |
76 |
|
[RAX]G:202 |
1 |
1 |
420 |
f |
I |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
32002 |
1.1 |
-0.1 |
0.330 |
0 |
0 |
0 |
0.100 |
| 60 |
77 |
|
[SO4]H:201 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8886 |
0.6 |
-0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
|