## |
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 |
|
B |
96 |
27 |
26416 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
102 |
30 |
26416 |
947.8 |
6.1 |
0.821 |
15 |
5 |
0 |
0.000 |
2 |
|
A |
105 |
32 |
26334 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
97 |
26 |
26334 |
938.2 |
4.6 |
0.757 |
13 |
7 |
0 |
0.000 |
Average: |
943.0 |
5.3 |
0.789 |
14 |
6 |
0 |
0.000 |
2 |
3 |
|
B |
59 |
21 |
26416 |
◊ |
A |
x,y,z |
1_555 |
60 |
22 |
26334 |
558.3 |
-6.5 |
0.065 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
51 |
14 |
26416 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
55 |
18 |
26334 |
470.9 |
0.2 |
0.464 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
29 |
9 |
26334 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
31 |
14 |
26416 |
279.1 |
3.7 |
0.829 |
3 |
2 |
0 |
0.000 |
6 |
|
A |
26 |
13 |
26334 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
22 |
8 |
26416 |
249.5 |
2.7 |
0.784 |
2 |
2 |
0 |
0.000 |
Average: |
264.3 |
3.2 |
0.806 |
3 |
2 |
0 |
0.000 |
5 |
7 |
|
B |
25 |
9 |
26416 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
25 |
8 |
26334 |
214.9 |
2.2 |
0.757 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
[BGC]D:2 |
11 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
26416 |
163.0 |
3.1 |
0.404 |
3 |
0 |
0 |
0.000 |
9 |
|
[BGC]C:2 |
11 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
26334 |
162.3 |
3.2 |
0.438 |
3 |
0 |
0 |
0.000 |
Average: |
162.6 |
3.1 |
0.421 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
[BGC]C:1 |
12 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
26334 |
161.2 |
3.5 |
0.446 |
5 |
0 |
0 |
0.000 |
8 |
11 |
|
[BGC]D:1 |
12 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
26416 |
158.9 |
3.6 |
0.406 |
5 |
0 |
0 |
0.000 |
9 |
12 |
|
[XYS]C:3 |
9 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
26334 |
155.1 |
2.1 |
0.356 |
1 |
0 |
0 |
0.000 |
13 |
|
[XYS]D:3 |
9 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
26416 |
153.1 |
2.2 |
0.360 |
1 |
0 |
0 |
0.000 |
Average: |
154.1 |
2.1 |
0.358 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]A:802 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
27 |
16 |
26334 |
119.0 |
3.8 |
0.478 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
A |
15 |
5 |
26334 |
◊ |
B |
-x+3,y-1/2,-z+1/2 |
3_845 |
11 |
2 |
26416 |
116.8 |
-0.9 |
0.331 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]B:804 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
26416 |
116.0 |
3.4 |
0.420 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]B:802 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
26416 |
109.4 |
3.3 |
0.489 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]B:801 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
26416 |
109.1 |
2.7 |
0.336 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]A:804 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
26334 |
106.9 |
3.1 |
0.419 |
8 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:801 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
26334 |
105.8 |
2.9 |
0.343 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[IOD]A:808 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
26334 |
84.2 |
-0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
22 |
|
[IOD]B:807 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
26416 |
83.7 |
-0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
83.9 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]B:803 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
26416 |
84.2 |
2.3 |
0.361 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:805 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
26334 |
80.8 |
1.8 |
0.217 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[IOD]A:813 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
26334 |
80.3 |
0.6 |
0.825 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[IOD]B:809 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
26416 |
80.2 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
27 |
|
[IOD]A:812 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
26334 |
79.9 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
Average: |
80.0 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]A:803 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
26334 |
78.8 |
2.1 |
0.843 |
3 |
0 |
0 |
0.000 |
23 |
29 |
|
[IOD]B:812 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
26416 |
76.2 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
30 |
|
[IOD]A:809 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
26334 |
73.5 |
-0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
Average: |
74.9 |
-0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[IOD]A:811 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
26334 |
69.2 |
-0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
32 |
|
[IOD]B:808 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
26416 |
66.5 |
-0.5 |
0.487 |
0 |
0 |
0 |
0.000 |
Average: |
67.9 |
-0.3 |
0.571 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[IOD]A:810 |
1 |
1 |
144 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
4 |
26416 |
67.6 |
0.3 |
0.792 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[NA]B:805 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
26416 |
65.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[NA]A:806 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
26334 |
61.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
63.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[IOD]A:807 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
26416 |
62.9 |
-0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]B:806 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
26334 |
61.7 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
Average: |
62.3 |
-0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[BGC]C:2 |
6 |
1 |
293 |
cf |
[BGC]C:1 |
x,y,z |
1_555 |
5 |
1 |
306 |
55.3 |
1.0 |
0.137 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[IOD]B:806 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
26416 |
55.1 |
0.3 |
0.795 |
0 |
0 |
0 |
0.000 |
40 |
|
[IOD]A:807 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
26334 |
54.2 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
Average: |
54.7 |
0.2 |
0.793 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[BGC]D:2 |
6 |
1 |
291 |
cf |
[BGC]D:1 |
x,y,z |
1_555 |
4 |
1 |
303 |
55.1 |
1.0 |
0.130 |
1 |
0 |
0 |
0.000 |
31 |
42 |
|
[IOD]A:810 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
26334 |
54.1 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[IOD]B:811 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
26416 |
53.5 |
0.4 |
0.848 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[IOD]B:810 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
26416 |
52.5 |
-0.3 |
0.547 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
B |
8 |
3 |
26416 |
f |
[IOD]B:811 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
144 |
51.5 |
-0.3 |
0.531 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[XYS]C:3 |
6 |
1 |
258 |
cf |
[BGC]C:2 |
x,y,z |
1_555 |
3 |
1 |
293 |
49.9 |
1.8 |
0.303 |
0 |
0 |
0 |
0.000 |
47 |
|
[XYS]D:3 |
6 |
1 |
260 |
cf |
[BGC]D:2 |
x,y,z |
1_555 |
3 |
1 |
291 |
48.6 |
1.8 |
0.308 |
0 |
0 |
0 |
0.000 |
Average: |
49.3 |
1.8 |
0.305 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
B |
7 |
4 |
26416 |
f |
[IOD]B:810 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
144 |
47.6 |
-0.3 |
0.514 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[XYS]D:3 |
5 |
1 |
260 |
f |
[BGC]D:1 |
x,y,z |
1_555 |
4 |
1 |
303 |
42.4 |
0.8 |
0.195 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[XYS]C:3 |
6 |
1 |
258 |
f |
[BGC]C:1 |
x,y,z |
1_555 |
4 |
1 |
306 |
41.8 |
0.8 |
0.228 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[BGC]D:1 |
5 |
1 |
303 |
f |
[IOD]B:809 |
x,y,z |
1_555 |
1 |
1 |
144 |
30.3 |
0.9 |
0.447 |
0 |
0 |
0 |
0.000 |
52 |
|
[BGC]C:1 |
6 |
1 |
306 |
f |
[IOD]A:812 |
x,y,z |
1_555 |
1 |
1 |
144 |
30.1 |
0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
Average: |
30.2 |
0.9 |
0.443 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[NA]A:806 |
1 |
1 |
125 |
f |
[EDO]A:802 |
x,y,z |
1_555 |
4 |
1 |
183 |
30.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
B |
4 |
1 |
26416 |
◊ |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
3 |
1 |
26334 |
29.3 |
0.8 |
0.832 |
1 |
0 |
0 |
0.000 |
42 |
55 |
|
A |
2 |
1 |
26334 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
26334 |
22.1 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
[BGC]C:1 |
2 |
1 |
306 |
f |
[EDO]A:801 |
x,y,z |
1_555 |
2 |
1 |
184 |
18.7 |
0.7 |
0.527 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
[BGC]D:1 |
2 |
1 |
303 |
f |
[EDO]B:801 |
x,y,z |
1_555 |
3 |
1 |
183 |
15.2 |
0.6 |
0.527 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
[IOD]A:811 |
1 |
1 |
144 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
2 |
26334 |
10.6 |
0.3 |
0.909 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[BGC]C:2 |
1 |
1 |
293 |
f |
[EDO]A:801 |
x,y,z |
1_555 |
2 |
1 |
184 |
9.2 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
[BGC]D:2 |
1 |
1 |
291 |
f |
[EDO]B:801 |
x,y,z |
1_555 |
2 |
1 |
183 |
8.8 |
0.3 |
0.426 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
B |
2 |
1 |
26416 |
x |
B |
-x+3,y-1/2,-z+1/2 |
3_845 |
1 |
1 |
26416 |
8.7 |
-0.1 |
0.368 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
[IOD]B:807 |
1 |
1 |
144 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
1 |
1 |
26334 |
7.2 |
0.1 |
0.914 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
A |
2 |
2 |
26334 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
26416 |
4.8 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
|