## |
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 |
113 |
29 |
12438 |
◊ |
A |
x,y,z |
1_555 |
138 |
39 |
12392 |
1107.9 |
-16.0 |
0.083 |
11 |
2 |
0 |
0.794 |
2 |
|
C |
133 |
36 |
12468 |
◊ |
A |
x,y,z |
1_555 |
108 |
30 |
12392 |
1088.9 |
-14.2 |
0.143 |
11 |
2 |
0 |
0.794 |
3 |
|
C |
108 |
29 |
12468 |
◊ |
B |
x,y,z |
1_555 |
134 |
38 |
12438 |
1050.1 |
-13.6 |
0.161 |
12 |
2 |
0 |
0.794 |
Average: |
1082.3 |
-14.6 |
0.129 |
11 |
2 |
0 |
0.794 |
2 |
4 |
|
C |
56 |
16 |
12468 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
8_477 |
51 |
14 |
12392 |
502.9 |
2.9 |
0.905 |
8 |
4 |
0 |
0.000 |
3 |
5 |
|
[OS5]A:307 |
32 |
1 |
742 |
f |
A |
x,y,z |
1_555 |
65 |
28 |
12392 |
454.7 |
0.6 |
0.280 |
3 |
0 |
0 |
0.043 |
6 |
|
[OS5]B:303 |
32 |
1 |
739 |
f |
B |
x,y,z |
1_555 |
69 |
29 |
12438 |
449.5 |
0.3 |
0.284 |
4 |
0 |
0 |
0.043 |
7 |
|
[OS5]C:308 |
33 |
1 |
744 |
f |
C |
x,y,z |
1_555 |
66 |
26 |
12468 |
446.8 |
0.3 |
0.260 |
3 |
0 |
0 |
0.043 |
Average: |
450.3 |
0.4 |
0.275 |
3 |
0 |
0 |
0.043 |
4 |
8 |
|
C |
46 |
12 |
12468 |
◊ |
A |
-x+2,y,-z+5/2 |
3_757 |
41 |
14 |
12392 |
387.7 |
-1.2 |
0.648 |
4 |
0 |
0 |
0.000 |
9 |
|
B |
29 |
11 |
12438 |
◊ |
B |
-x+2,y,-z+5/2 |
3_757 |
29 |
11 |
12438 |
303.4 |
-0.6 |
0.640 |
2 |
0 |
0 |
0.000 |
Average: |
345.6 |
-0.9 |
0.644 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
B |
44 |
12 |
12438 |
◊ |
A |
-x+2,y,-z+5/2 |
3_757 |
48 |
13 |
12392 |
348.0 |
1.8 |
0.853 |
3 |
2 |
0 |
0.000 |
11 |
|
C |
27 |
7 |
12468 |
◊ |
C |
-x+2,y,-z+5/2 |
3_757 |
27 |
7 |
12468 |
212.4 |
-2.1 |
0.481 |
0 |
0 |
0 |
0.000 |
Average: |
280.2 |
-0.1 |
0.667 |
2 |
1 |
0 |
0.000 |
6 |
12 |
|
B |
36 |
12 |
12438 |
◊ |
B |
x,-y+3,-z+2 |
4_587 |
36 |
12 |
12438 |
339.1 |
1.7 |
0.840 |
4 |
0 |
0 |
0.000 |
7 |
13 |
|
C |
30 |
12 |
12468 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
26 |
8 |
12438 |
221.3 |
-0.7 |
0.640 |
1 |
1 |
0 |
0.000 |
14 |
|
B |
23 |
9 |
12438 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
15 |
6 |
12392 |
169.6 |
1.1 |
0.796 |
4 |
3 |
0 |
0.000 |
Average: |
195.5 |
0.2 |
0.718 |
3 |
2 |
0 |
0.000 |
8 |
15 |
|
C |
22 |
9 |
12468 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
6 |
12392 |
193.8 |
0.7 |
0.765 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
15 |
6 |
12468 |
◊ |
B |
-x+3/2,y-1/2,-z+5/2 |
7_647 |
15 |
5 |
12438 |
116.2 |
-1.8 |
0.365 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[EDO]C:305 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
12468 |
79.6 |
2.0 |
0.266 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
[EDO]C:301 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
12468 |
76.2 |
2.7 |
0.311 |
1 |
0 |
0 |
0.000 |
12 |
19 |
|
[EDO]C:306 |
4 |
1 |
186 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
16 |
4 |
12438 |
74.7 |
1.0 |
0.209 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[OS5]A:307 |
7 |
1 |
742 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
12468 |
74.6 |
0.7 |
0.391 |
0 |
0 |
0 |
0.000 |
21 |
|
[OS5]C:308 |
7 |
1 |
744 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
12438 |
73.0 |
0.8 |
0.392 |
0 |
0 |
0 |
0.000 |
22 |
|
[OS5]B:303 |
7 |
1 |
739 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
12392 |
68.9 |
0.5 |
0.378 |
0 |
0 |
0 |
0.000 |
Average: |
72.2 |
0.7 |
0.387 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]B:301 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
12392 |
74.5 |
1.5 |
0.765 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]C:303 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12468 |
66.2 |
1.3 |
0.782 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12392 |
61.3 |
0.7 |
0.436 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[CL]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
12392 |
57.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.368 |
27 |
|
[CL]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12468 |
57.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.368 |
28 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12438 |
57.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.368 |
Average: |
57.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.368 |
18 |
29 |
|
[EDO]C:302 |
4 |
1 |
186 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
12438 |
52.7 |
1.5 |
0.864 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[EDO]B:301 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12438 |
51.8 |
1.4 |
0.733 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
[EDO]A:301 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12392 |
51.3 |
1.5 |
0.271 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[EDO]C:305 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12392 |
46.4 |
1.1 |
0.537 |
1 |
0 |
0 |
0.000 |
22 |
33 |
|
C |
3 |
1 |
12468 |
◊ |
C |
-x+1,y,-z+5/2 |
3_657 |
3 |
1 |
12468 |
45.2 |
-1.4 |
0.094 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12468 |
38.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.132 |
35 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12392 |
38.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.132 |
36 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12438 |
37.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
38.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.132 |
24 |
37 |
|
A |
2 |
1 |
12392 |
x |
A |
x-1/2,-y+5/2,-z+2 |
8_477 |
4 |
1 |
12392 |
36.6 |
-0.8 |
0.185 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[OS5]C:308 |
5 |
1 |
744 |
f |
[CL]C:307 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.136 |
39 |
|
[OS5]B:303 |
7 |
1 |
739 |
f |
[CL]B:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.136 |
40 |
|
[OS5]A:307 |
5 |
1 |
742 |
f |
[CL]A:305 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
34.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.136 |
26 |
41 |
|
[EDO]C:305 |
3 |
1 |
185 |
f |
[EDO]C:303 |
x,y,z |
1_555 |
2 |
1 |
185 |
34.8 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[EDO]C:302 |
4 |
1 |
186 |
◊ |
[EDO]A:301 |
x-1/2,y-1/2,z |
5_445 |
4 |
1 |
185 |
33.5 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
28 |
43 |
|
[EDO]C:306 |
3 |
1 |
186 |
◊ |
[OS5]B:303 |
x-1/2,y-1/2,z |
5_445 |
5 |
1 |
739 |
33.3 |
1.1 |
0.583 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[EDO]C:303 |
3 |
1 |
185 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
3 |
1 |
185 |
33.2 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[EDO]C:302 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
12468 |
32.0 |
0.8 |
0.673 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[EDO]C:302 |
2 |
1 |
186 |
f |
[EDO]C:301 |
x,y,z |
1_555 |
2 |
1 |
183 |
30.9 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
C |
2 |
2 |
12468 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
8_477 |
1 |
1 |
12438 |
29.4 |
0.6 |
0.251 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[EDO]C:306 |
2 |
1 |
186 |
f |
[EDO]C:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
29.2 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
49 |
|
[EDO]C:306 |
3 |
1 |
186 |
f |
[EDO]C:304 |
x,y,z |
1_555 |
3 |
1 |
186 |
29.2 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
[EDO]B:301 |
1 |
1 |
186 |
◊ |
[EDO]A:301 |
x,y,z |
1_555 |
2 |
1 |
185 |
28.2 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
36 |
51 |
|
B |
4 |
1 |
12438 |
◊ |
[EDO]A:303 |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
185 |
27.9 |
0.5 |
0.763 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[EDO]C:304 |
2 |
1 |
186 |
f |
[EDO]C:302 |
x,y,z |
1_555 |
3 |
1 |
186 |
25.5 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
38 |
53 |
|
[EDO]C:304 |
4 |
1 |
186 |
◊ |
[EDO]A:301 |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
185 |
22.5 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[EDO]A:303 |
2 |
1 |
185 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
21.9 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
40 |
55 |
|
[EDO]C:304 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12468 |
20.3 |
0.5 |
0.656 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[EDO]C:303 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
12392 |
18.8 |
0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
[EDO]A:301 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
12438 |
16.9 |
0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
B |
1 |
1 |
12438 |
◊ |
[EDO]A:302 |
x-1/2,y+1/2,z |
5_455 |
2 |
1 |
185 |
16.2 |
0.3 |
0.367 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
[EDO]C:305 |
2 |
1 |
185 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
[EDO]C:301 |
1 |
1 |
183 |
◊ |
[EDO]A:301 |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
185 |
11.0 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
[EDO]C:301 |
2 |
1 |
183 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
12438 |
9.2 |
0.6 |
0.967 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[EDO]C:306 |
1 |
1 |
186 |
◊ |
[EDO]A:301 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
185 |
8.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[EDO]A:302 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
12392 |
5.1 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
[EDO]C:302 |
1 |
1 |
186 |
f |
[EDO]B:301 |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
186 |
3.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[EDO]C:303 |
1 |
1 |
185 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|