## |
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 |
|
A |
104 |
28 |
9416 |
◊ |
A |
x-y,-y,-z+1/3 |
6_555 |
104 |
28 |
9416 |
747.9 |
-9.4 |
0.150 |
8 |
0 |
0 |
0.152 |
2 |
2 |
|
B |
83 |
24 |
9555 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
9416 |
737.9 |
-16.3 |
0.011 |
2 |
0 |
0 |
0.170 |
3 |
3 |
|
B |
77 |
21 |
9555 |
x |
B |
-y+1,x-y,z-1/3 |
2_654 |
63 |
15 |
9555 |
642.1 |
-6.4 |
0.256 |
4 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
36 |
13 |
9416 |
◊ |
A |
x-y,-y,-z-2/3 |
6_554 |
36 |
13 |
9416 |
312.6 |
-2.4 |
0.431 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
32 |
8 |
9416 |
x |
A |
x,y,z-1 |
1_554 |
29 |
5 |
9416 |
252.5 |
-2.1 |
0.379 |
3 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
23 |
9 |
9555 |
x |
B |
x,y,z-1 |
1_554 |
22 |
6 |
9555 |
226.7 |
0.0 |
0.341 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
[1PE]B:308 |
14 |
1 |
450 |
f |
B |
x,y,z |
1_555 |
32 |
10 |
9555 |
203.7 |
-2.6 |
0.477 |
2 |
0 |
0 |
0.034 |
8 |
8 |
|
[1PE]B:311 |
8 |
1 |
300 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
9555 |
159.2 |
2.3 |
0.558 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[1PE]B:308 |
13 |
1 |
450 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
9416 |
142.9 |
-0.8 |
0.353 |
0 |
0 |
0 |
0.007 |
10 |
10 |
|
[1PE]A:312 |
10 |
1 |
329 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
9416 |
129.2 |
1.1 |
0.627 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
[1PE]A:311 |
8 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
9416 |
124.1 |
0.2 |
0.514 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
B |
18 |
3 |
9555 |
x |
B |
-y+1,x-y,z+2/3 |
2_655 |
12 |
5 |
9555 |
119.7 |
1.0 |
0.597 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
[1PE]A:310 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
9416 |
116.5 |
-0.7 |
0.436 |
2 |
0 |
0 |
0.037 |
14 |
14 |
|
[1PE]B:309 |
6 |
1 |
240 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
9555 |
114.1 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[1PE]B:310 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
9555 |
109.3 |
-0.3 |
0.697 |
1 |
0 |
0 |
0.008 |
16 |
16 |
|
[1PE]A:308 |
13 |
1 |
388 |
◊ |
A |
x-y,-y,-z+1/3 |
6_555 |
30 |
11 |
9416 |
107.9 |
-0.4 |
0.484 |
1 |
0 |
0 |
0.020 |
17 |
17 |
|
[NO3]A:305 |
4 |
1 |
166 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
9416 |
96.3 |
0.8 |
0.491 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
[NO3]B:303 |
4 |
1 |
166 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
9555 |
96.2 |
1.6 |
0.604 |
2 |
0 |
0 |
0.000 |
19 |
19 |
|
[1PE]A:309 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
9416 |
96.2 |
1.1 |
0.453 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[1PE]A:308 |
13 |
1 |
388 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
9416 |
94.3 |
-0.4 |
0.479 |
0 |
0 |
0 |
0.009 |
21 |
21 |
|
[NO3]A:306 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
9416 |
89.7 |
0.9 |
0.518 |
1 |
0 |
0 |
0.000 |
22 |
22 |
|
[NO3]B:304 |
4 |
1 |
165 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9555 |
88.2 |
0.9 |
0.414 |
1 |
0 |
0 |
0.000 |
23 |
23 |
|
[NO3]A:307 |
4 |
1 |
166 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
9416 |
87.1 |
0.9 |
0.509 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[NO3]B:302 |
4 |
1 |
164 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9555 |
83.2 |
1.7 |
0.641 |
3 |
0 |
0 |
0.000 |
25 |
25 |
|
B |
13 |
6 |
9555 |
f |
[NO3]B:306 |
x,y,z-1 |
1_554 |
4 |
1 |
165 |
80.4 |
0.5 |
0.469 |
2 |
0 |
0 |
0.004 |
26 |
26 |
|
[NO3]A:303 |
4 |
1 |
166 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
9416 |
79.3 |
1.3 |
0.476 |
1 |
0 |
0 |
0.000 |
27 |
27 |
|
[1PE]A:308 |
11 |
1 |
388 |
◊ |
[1PE]A:308 |
x-y,-y,-z+1/3 |
6_555 |
11 |
1 |
388 |
78.5 |
0.6 |
0.541 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[NO3]B:307 |
4 |
1 |
165 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
9555 |
75.8 |
1.0 |
0.587 |
1 |
0 |
0 |
0.000 |
29 |
29 |
|
[NO3]A:304 |
4 |
1 |
166 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9416 |
75.5 |
0.9 |
0.438 |
2 |
0 |
0 |
0.000 |
30 |
30 |
|
[NO3]B:305 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
9555 |
74.7 |
0.3 |
0.344 |
1 |
0 |
0 |
0.001 |
31 |
31 |
|
[NA]A:316 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9416 |
71.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.230 |
32 |
|
[NA]B:315 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
9555 |
67.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.230 |
Average: |
69.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.230 |
32 |
33 |
|
[NO3]A:301 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9416 |
69.7 |
1.1 |
0.763 |
3 |
0 |
0 |
0.005 |
33 |
34 |
|
[NA]A:317 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9416 |
66.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.266 |
35 |
|
[NA]B:312 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9555 |
63.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.266 |
Average: |
65.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.266 |
34 |
36 |
|
[NA]B:313 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
9555 |
63.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.293 |
37 |
|
[NA]A:315 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
9416 |
62.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.293 |
Average: |
62.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.293 |
35 |
38 |
|
[1PE]A:313 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
9416 |
62.9 |
-0.9 |
0.373 |
0 |
0 |
0 |
0.022 |
36 |
39 |
|
[NO3]B:301 |
4 |
1 |
164 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
9416 |
62.2 |
1.1 |
0.496 |
5 |
0 |
0 |
0.011 |
37 |
40 |
|
[NO3]B:301 |
4 |
1 |
164 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
9555 |
61.7 |
1.1 |
0.490 |
5 |
0 |
0 |
0.011 |
38 |
41 |
|
[NA]B:314 |
1 |
1 |
125 |
f |
B |
-y+1,x-y,z-1/3 |
2_654 |
10 |
4 |
9555 |
58.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.085 |
39 |
42 |
|
B |
7 |
1 |
9555 |
f |
[1PE]B:309 |
-y+1,x-y,z-1/3 |
2_654 |
6 |
1 |
240 |
55.2 |
-1.3 |
0.277 |
0 |
0 |
0 |
0.013 |
40 |
43 |
|
[NO3]A:302 |
4 |
1 |
165 |
◊ |
[NO3]A:302 |
x-y,-y,-z+1/3 |
6_555 |
4 |
1 |
165 |
55.0 |
1.3 |
0.320 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[NO3]B:306 |
3 |
1 |
165 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
9555 |
54.3 |
0.8 |
0.319 |
1 |
0 |
0 |
0.000 |
42 |
45 |
|
B |
9 |
4 |
9555 |
f |
[NO3]B:307 |
-y+1,x-y,z-1/3 |
2_654 |
4 |
1 |
165 |
52.9 |
0.2 |
0.369 |
1 |
0 |
0 |
0.003 |
43 |
46 |
|
[1PE]A:310 |
3 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
9555 |
51.4 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.001 |
44 |
47 |
|
[1PE]B:311 |
3 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
9416 |
50.3 |
-0.5 |
0.379 |
0 |
0 |
0 |
0.011 |
45 |
48 |
|
[1PE]A:312 |
3 |
1 |
329 |
◊ |
A |
x-y,-y,-z+1/3 |
6_555 |
8 |
4 |
9416 |
48.9 |
-0.4 |
0.473 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[1PE]A:313 |
4 |
1 |
184 |
◊ |
A |
x-y,-y,-z+1/3 |
6_555 |
10 |
3 |
9416 |
48.0 |
0.1 |
0.654 |
2 |
0 |
0 |
0.017 |
47 |
50 |
|
[NO3]A:302 |
3 |
1 |
165 |
◊ |
A |
x-y,-y,-z+1/3 |
6_555 |
7 |
3 |
9416 |
47.5 |
0.8 |
0.327 |
2 |
0 |
0 |
0.003 |
48 |
51 |
|
[NO3]A:302 |
3 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
9416 |
46.7 |
0.7 |
0.327 |
2 |
0 |
0 |
0.004 |
49 |
52 |
|
[1PE]A:311 |
4 |
1 |
296 |
◊ |
A |
x-y,-y,-z+1/3 |
6_555 |
3 |
1 |
9416 |
42.4 |
-1.0 |
0.163 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
[1PE]A:311 |
5 |
1 |
296 |
◊ |
[1PE]A:309 |
x,y,z |
1_555 |
5 |
1 |
221 |
40.6 |
1.0 |
0.407 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[NA]B:314 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
9555 |
38.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[NA]A:314 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
4 |
9416 |
36.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
[1PE]A:313 |
4 |
1 |
184 |
◊ |
[1PE]A:312 |
x-y,-y,-z+1/3 |
6_555 |
5 |
1 |
329 |
33.9 |
-0.4 |
0.472 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[1PE]A:312 |
5 |
1 |
329 |
◊ |
[1PE]A:308 |
x,y,z |
1_555 |
3 |
1 |
388 |
31.0 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[1PE]A:311 |
4 |
1 |
296 |
◊ |
A |
x-y,-y,-z-2/3 |
6_554 |
2 |
1 |
9416 |
28.7 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
56 |
59 |
|
[NO3]A:307 |
3 |
1 |
166 |
f |
A |
x,y,z-1 |
1_554 |
3 |
1 |
9416 |
27.5 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.001 |
57 |
60 |
|
[NO3]B:303 |
3 |
1 |
166 |
f |
[NO3]B:302 |
x,y,z |
1_555 |
4 |
1 |
164 |
26.7 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[1PE]A:308 |
5 |
1 |
388 |
◊ |
[NO3]A:301 |
x-y,-y,-z+1/3 |
6_555 |
3 |
1 |
165 |
22.2 |
0.4 |
0.734 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[1PE]A:309 |
3 |
1 |
221 |
f |
A |
x-y,-y,-z+1/3 |
6_555 |
3 |
2 |
9416 |
21.9 |
0.5 |
0.582 |
1 |
0 |
0 |
0.000 |
60 |
63 |
|
A |
4 |
2 |
9416 |
f |
[NO3]A:303 |
x,y,z-1 |
1_554 |
4 |
1 |
166 |
19.3 |
0.4 |
0.854 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
[1PE]A:312 |
3 |
1 |
329 |
◊ |
[1PE]A:308 |
x-y,-y,-z+1/3 |
6_555 |
5 |
1 |
388 |
18.8 |
-0.4 |
0.382 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
[NO3]B:307 |
3 |
1 |
165 |
◊ |
[NO3]B:302 |
x,y,z |
1_555 |
3 |
1 |
164 |
18.0 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[1PE]A:313 |
2 |
1 |
184 |
◊ |
[1PE]A:308 |
x-y,-y,-z+1/3 |
6_555 |
4 |
1 |
388 |
16.9 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.003 |
64 |
67 |
|
[1PE]A:308 |
4 |
1 |
388 |
f |
[NO3]A:301 |
x,y,z |
1_555 |
3 |
1 |
165 |
11.3 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
65 |
68 |
|
[NA]A:314 |
1 |
1 |
125 |
fx |
[1PE]A:311 |
x,y,z |
1_555 |
1 |
1 |
296 |
11.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.100 |
66 |
69 |
|
[1PE]A:312 |
3 |
1 |
329 |
◊ |
[NO3]A:301 |
x-y,-y,-z+1/3 |
6_555 |
2 |
1 |
165 |
10.0 |
0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
67 |
70 |
|
[1PE]A:312 |
2 |
1 |
329 |
f |
[1PE]A:312 |
x-y,-y,-z+1/3 |
6_555 |
2 |
1 |
329 |
9.5 |
-0.3 |
0.480 |
0 |
0 |
0 |
0.100 |
68 |
71 |
|
[1PE]A:309 |
1 |
1 |
221 |
◊ |
A |
x-y,-y,-z-2/3 |
6_554 |
2 |
1 |
9416 |
8.3 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
69 |
72 |
|
[1PE]B:308 |
3 |
1 |
450 |
f |
[NO3]B:305 |
x,y,z |
1_555 |
1 |
1 |
167 |
6.1 |
0.0 |
0.790 |
0 |
0 |
0 |
0.000 |
70 |
73 |
|
[1PE]A:313 |
2 |
1 |
184 |
f |
[1PE]A:308 |
x,y,z |
1_555 |
1 |
1 |
388 |
5.4 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
71 |
74 |
|
[1PE]A:312 |
1 |
1 |
329 |
◊ |
[NO3]A:301 |
x,y,z |
1_555 |
3 |
1 |
165 |
4.8 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
72 |
75 |
|
[NA]A:314 |
1 |
1 |
125 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
9416 |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
76 |
|
B |
1 |
1 |
9555 |
◊ |
[NO3]B:302 |
-y+1,x-y,z-1/3 |
2_654 |
1 |
1 |
164 |
2.4 |
0.1 |
0.866 |
0 |
0 |
0 |
0.000 |
74 |
77 |
|
[1PE]A:313 |
2 |
1 |
184 |
f |
[NO3]A:301 |
x,y,z |
1_555 |
1 |
1 |
165 |
1.0 |
0.0 |
0.866 |
0 |
0 |
0 |
0.000 |
75 |
78 |
|
[1PE]A:310 |
1 |
1 |
218 |
◊ |
[NO3]B:301 |
x,y,z |
1_555 |
1 |
1 |
164 |
0.9 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|