## |
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 |
|
H |
277 |
78 |
19935 |
◊ |
G |
x,y,z |
1_555 |
269 |
76 |
20097 |
2706.7 |
-22.9 |
0.067 |
53 |
8 |
0 |
0.455 |
2 |
|
B |
274 |
77 |
19900 |
◊ |
A |
x,y,z |
1_555 |
273 |
77 |
19854 |
2697.7 |
-22.5 |
0.072 |
52 |
8 |
0 |
0.455 |
3 |
|
D |
272 |
80 |
19873 |
◊ |
C |
x,y,z |
1_555 |
271 |
77 |
19882 |
2692.8 |
-23.8 |
0.062 |
51 |
8 |
0 |
0.455 |
4 |
|
F |
268 |
77 |
19878 |
◊ |
E |
x,y,z |
1_555 |
271 |
77 |
19912 |
2689.4 |
-24.5 |
0.047 |
52 |
8 |
0 |
0.455 |
Average: |
2696.7 |
-23.4 |
0.062 |
52 |
8 |
0 |
0.455 |
2 |
5 |
|
H |
168 |
46 |
19935 |
◊ |
E |
x,y,z |
1_555 |
166 |
46 |
19912 |
1496.3 |
-3.1 |
0.604 |
25 |
2 |
0 |
0.192 |
6 |
|
C |
164 |
46 |
19882 |
◊ |
B |
x,y,z |
1_555 |
163 |
46 |
19900 |
1493.9 |
-3.2 |
0.611 |
25 |
2 |
0 |
0.192 |
7 |
|
G |
164 |
46 |
20097 |
◊ |
F |
x,y,z |
1_555 |
162 |
45 |
19878 |
1493.8 |
-2.1 |
0.655 |
26 |
2 |
0 |
0.192 |
8 |
|
D |
166 |
46 |
19873 |
◊ |
A |
x,y,z |
1_555 |
161 |
46 |
19854 |
1486.8 |
-2.9 |
0.622 |
27 |
2 |
0 |
0.192 |
Average: |
1492.7 |
-2.8 |
0.623 |
26 |
2 |
0 |
0.192 |
3 |
9 |
|
C |
113 |
30 |
19882 |
◊ |
A |
x,y,z |
1_555 |
118 |
30 |
19854 |
1024.8 |
-6.6 |
0.337 |
6 |
2 |
0 |
0.067 |
10 |
|
D |
111 |
30 |
19873 |
◊ |
B |
x,y,z |
1_555 |
115 |
30 |
19900 |
1009.9 |
-5.5 |
0.401 |
6 |
2 |
0 |
0.067 |
11 |
|
H |
113 |
30 |
19935 |
◊ |
F |
x,y,z |
1_555 |
116 |
30 |
19878 |
1009.3 |
-5.4 |
0.407 |
6 |
2 |
0 |
0.067 |
12 |
|
G |
111 |
30 |
20097 |
◊ |
E |
x,y,z |
1_555 |
113 |
30 |
19912 |
999.9 |
-5.6 |
0.376 |
6 |
2 |
0 |
0.067 |
Average: |
1011.0 |
-5.8 |
0.380 |
6 |
2 |
0 |
0.067 |
4 |
13 |
|
C |
108 |
33 |
19882 |
◊ |
F |
x,y-1,z |
1_545 |
106 |
32 |
19878 |
1003.4 |
-0.9 |
0.668 |
17 |
9 |
0 |
0.000 |
5 |
14 |
|
[NAD]D:4502 |
41 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
82 |
30 |
19873 |
585.3 |
-6.7 |
0.403 |
10 |
0 |
0 |
0.277 |
15 |
|
[NAD]C:3502 |
40 |
1 |
809 |
f |
C |
x,y,z |
1_555 |
80 |
30 |
19882 |
583.6 |
-6.4 |
0.409 |
9 |
0 |
0 |
0.277 |
16 |
|
[NAD]B:2502 |
42 |
1 |
808 |
f |
B |
x,y,z |
1_555 |
80 |
29 |
19900 |
582.5 |
-6.9 |
0.388 |
10 |
0 |
0 |
0.277 |
17 |
|
[NAD]F:6502 |
42 |
1 |
801 |
f |
F |
x,y,z |
1_555 |
77 |
29 |
19878 |
579.3 |
-6.5 |
0.406 |
6 |
0 |
0 |
0.277 |
18 |
|
[NAD]H:8502 |
40 |
1 |
806 |
f |
H |
x,y,z |
1_555 |
80 |
29 |
19935 |
576.8 |
-6.7 |
0.400 |
7 |
0 |
0 |
0.277 |
19 |
|
[NAD]G:7502 |
42 |
1 |
798 |
f |
G |
x,y,z |
1_555 |
82 |
30 |
20097 |
573.2 |
-7.1 |
0.361 |
9 |
0 |
0 |
0.277 |
20 |
|
[NAD]A:1502 |
41 |
1 |
792 |
f |
A |
x,y,z |
1_555 |
82 |
30 |
19854 |
571.3 |
-6.8 |
0.382 |
9 |
0 |
0 |
0.277 |
Average: |
578.9 |
-6.7 |
0.393 |
9 |
0 |
0 |
0.277 |
6 |
21 |
|
[NAD]E:5502 |
41 |
1 |
805 |
f |
E |
x,y,z |
1_555 |
81 |
29 |
19912 |
577.6 |
-6.5 |
0.404 |
7 |
0 |
0 |
0.089 |
7 |
22 |
|
C |
34 |
15 |
19882 |
◊ |
G |
-x+1,y-1/2,-z+3/2 |
3_646 |
40 |
14 |
20097 |
323.8 |
1.0 |
0.720 |
3 |
0 |
0 |
0.000 |
23 |
|
B |
20 |
7 |
19900 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
17 |
9 |
19878 |
144.7 |
-0.2 |
0.587 |
1 |
0 |
0 |
0.000 |
Average: |
234.2 |
0.4 |
0.654 |
2 |
0 |
0 |
0.000 |
8 |
24 |
|
B |
31 |
9 |
19900 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
32 |
8 |
19912 |
293.9 |
-2.2 |
0.352 |
1 |
1 |
0 |
0.000 |
25 |
|
D |
31 |
7 |
19873 |
◊ |
G |
-x+1,y-1/2,-z+3/2 |
3_646 |
35 |
11 |
20097 |
281.6 |
-2.1 |
0.362 |
1 |
0 |
0 |
0.000 |
Average: |
287.7 |
-2.2 |
0.357 |
1 |
1 |
0 |
0.000 |
9 |
26 |
|
B |
34 |
12 |
19900 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
29 |
12 |
19912 |
292.4 |
-3.1 |
0.244 |
3 |
0 |
0 |
0.000 |
10 |
27 |
|
D |
32 |
11 |
19873 |
◊ |
E |
x,y-1,z |
1_545 |
35 |
11 |
19912 |
289.2 |
2.1 |
0.822 |
4 |
3 |
0 |
0.000 |
11 |
28 |
|
D |
38 |
11 |
19873 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
36 |
13 |
19935 |
251.6 |
0.2 |
0.670 |
2 |
0 |
0 |
0.000 |
12 |
29 |
|
H |
30 |
11 |
19935 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
19854 |
236.7 |
1.0 |
0.738 |
2 |
1 |
0 |
0.000 |
13 |
30 |
|
E |
20 |
4 |
19912 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
21 |
8 |
19878 |
134.6 |
0.4 |
0.635 |
1 |
1 |
0 |
0.000 |
31 |
|
D |
13 |
4 |
19873 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
5 |
19882 |
62.1 |
0.5 |
0.678 |
0 |
0 |
0 |
0.000 |
Average: |
98.3 |
0.5 |
0.656 |
1 |
1 |
0 |
0.000 |
14 |
32 |
|
G |
11 |
4 |
20097 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
12 |
6 |
19878 |
107.6 |
-0.1 |
0.605 |
1 |
0 |
0 |
0.000 |
33 |
|
C |
5 |
3 |
19882 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
19900 |
18.0 |
-0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
Average: |
62.8 |
-0.2 |
0.534 |
1 |
0 |
0 |
0.000 |
15 |
34 |
|
E |
21 |
11 |
19912 |
◊ |
H |
x-1/2,-y+3/2,-z+1 |
4_466 |
11 |
6 |
19935 |
98.2 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
16 |
35 |
|
D |
10 |
5 |
19873 |
◊ |
G |
-x+1/2,-y+1,z-1/2 |
2_564 |
12 |
6 |
20097 |
85.0 |
-0.5 |
0.498 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
B |
7 |
3 |
19900 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
3 |
19854 |
74.6 |
1.8 |
0.786 |
1 |
0 |
0 |
0.000 |
18 |
37 |
|
[NA]F:2706 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
19878 |
69.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.306 |
38 |
|
[NA]D:2704 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
19873 |
68.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.306 |
39 |
|
[NA]C:2703 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
19882 |
68.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.306 |
40 |
|
[NA]H:2708 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
19935 |
68.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.306 |
41 |
|
[NA]G:2707 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
20097 |
68.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.306 |
42 |
|
[NA]E:2705 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
19912 |
67.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.306 |
43 |
|
[NA]B:2702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19900 |
67.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.306 |
44 |
|
[NA]A:2701 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19854 |
67.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.306 |
Average: |
68.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.306 |
19 |
45 |
|
H |
8 |
2 |
19935 |
◊ |
G |
-x+1,y-1/2,-z+3/2 |
3_646 |
7 |
3 |
20097 |
67.2 |
1.5 |
0.821 |
2 |
0 |
0 |
0.000 |
20 |
46 |
|
[NAD]A:1502 |
4 |
1 |
792 |
f |
[MG]A:2601 |
x,y,z |
1_555 |
1 |
1 |
98 |
43.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.149 |
47 |
|
[NAD]G:7502 |
6 |
1 |
798 |
f |
[MG]G:2607 |
x,y,z |
1_555 |
1 |
1 |
98 |
43.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.149 |
48 |
|
[NAD]B:2502 |
5 |
1 |
808 |
f |
[MG]B:2602 |
x,y,z |
1_555 |
1 |
1 |
98 |
43.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.149 |
49 |
|
[NAD]E:5502 |
5 |
1 |
805 |
f |
[MG]E:2605 |
x,y,z |
1_555 |
1 |
1 |
98 |
43.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.149 |
50 |
|
[NAD]D:4502 |
5 |
1 |
816 |
f |
[MG]D:2604 |
x,y,z |
1_555 |
1 |
1 |
98 |
42.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.149 |
51 |
|
[NAD]F:6502 |
6 |
1 |
801 |
f |
[MG]F:2606 |
x,y,z |
1_555 |
1 |
1 |
98 |
41.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.149 |
52 |
|
[NAD]H:8502 |
6 |
1 |
806 |
f |
[MG]H:2608 |
x,y,z |
1_555 |
1 |
1 |
98 |
41.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.149 |
53 |
|
[NAD]C:3502 |
5 |
1 |
809 |
f |
[MG]C:2603 |
x,y,z |
1_555 |
1 |
1 |
98 |
40.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.149 |
Average: |
42.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.149 |
21 |
54 |
|
D |
6 |
4 |
19873 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
4 |
19854 |
35.6 |
0.4 |
0.694 |
0 |
0 |
0 |
0.000 |
22 |
55 |
|
[MG]D:2604 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
19873 |
26.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.076 |
56 |
|
[MG]A:2601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
19854 |
23.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.076 |
57 |
|
[MG]H:2608 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
19935 |
23.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.076 |
58 |
|
[MG]C:2603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
19882 |
17.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.076 |
59 |
|
[MG]F:2606 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
19878 |
16.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.076 |
60 |
|
[MG]B:2602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19900 |
16.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.076 |
61 |
|
[MG]E:2605 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
19912 |
14.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.076 |
62 |
|
[MG]G:2607 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
20097 |
14.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
19.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.076 |
23 |
63 |
|
A |
2 |
1 |
19854 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
19878 |
22.0 |
0.5 |
0.841 |
0 |
0 |
0 |
0.000 |
24 |
64 |
|
B |
4 |
2 |
19900 |
◊ |
G |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
3 |
20097 |
17.4 |
0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
25 |
65 |
|
E |
2 |
2 |
19912 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
1 |
19854 |
14.4 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
26 |
66 |
|
A |
1 |
1 |
19854 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
19882 |
10.6 |
0.6 |
0.912 |
0 |
0 |
0 |
0.000 |
27 |
67 |
|
C |
2 |
1 |
19882 |
◊ |
G |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
2 |
20097 |
3.9 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
68 |
|
B |
1 |
1 |
19900 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
19878 |
0.3 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
|