| ## |
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 |
31 |
10 |
18355 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
44 |
12 |
18355 |
331.6 |
-6.5 |
0.049 |
0 |
0 |
0 |
0.000 |
2 |
|
A |
34 |
11 |
18111 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
44 |
12 |
18111 |
323.3 |
-5.0 |
0.132 |
1 |
0 |
0 |
0.000 |
| Average: |
327.4 |
-5.8 |
0.090 |
1 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
32 |
9 |
18355 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
18111 |
320.2 |
1.9 |
0.811 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
32 |
9 |
18355 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
10 |
18111 |
295.4 |
-2.8 |
0.377 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[C8E]A:405 |
16 |
1 |
600 |
f |
A |
x,y,z |
1_555 |
44 |
12 |
18111 |
281.5 |
-0.3 |
0.262 |
0 |
0 |
0 |
0.002 |
| 5 |
6 |
|
[C8E]A:413 |
15 |
1 |
470 |
f |
A |
x,y,z |
1_555 |
41 |
14 |
18111 |
266.9 |
-3.0 |
0.418 |
4 |
0 |
0 |
0.034 |
| 6 |
7 |
|
B |
26 |
9 |
18355 |
◊ |
A |
x,y-1,z |
1_545 |
25 |
8 |
18111 |
244.8 |
2.1 |
0.873 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
21 |
7 |
18355 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
22 |
7 |
18111 |
234.5 |
-4.1 |
0.141 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[C8E]A:404 |
13 |
1 |
471 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
18111 |
212.4 |
1.4 |
0.157 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[VNL]B:417 |
12 |
1 |
322 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
18355 |
206.5 |
-2.2 |
0.564 |
7 |
0 |
0 |
0.096 |
11 |
|
[VNL]A:414 |
12 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
35 |
13 |
18111 |
204.2 |
-2.7 |
0.501 |
6 |
0 |
0 |
0.096 |
| Average: |
205.4 |
-2.4 |
0.533 |
7 |
0 |
0 |
0.096 |
| 10 |
12 |
|
[C8E]B:404 |
11 |
1 |
383 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
18355 |
181.1 |
3.3 |
0.121 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[C8E]B:406 |
12 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
26 |
7 |
18355 |
179.9 |
-2.4 |
0.344 |
0 |
0 |
0 |
0.044 |
| 12 |
14 |
|
[C8E]B:412 |
12 |
1 |
469 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
18355 |
171.9 |
2.4 |
0.159 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[C8E]A:407 |
9 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
18111 |
166.7 |
4.8 |
0.077 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[C8E]A:411 |
9 |
1 |
312 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
18111 |
162.7 |
-4.1 |
0.626 |
2 |
0 |
0 |
0.035 |
| 15 |
17 |
|
[C8E]B:415 |
7 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
18355 |
159.4 |
5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[C8E]A:400 |
9 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
18111 |
157.6 |
4.2 |
0.019 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
A |
15 |
6 |
18111 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
4 |
18355 |
156.5 |
2.2 |
0.894 |
2 |
5 |
0 |
0.000 |
| 18 |
20 |
|
[VNL]A:415 |
12 |
1 |
320 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
18111 |
149.1 |
-2.1 |
0.505 |
2 |
0 |
0 |
0.021 |
| 19 |
21 |
|
[VNL]B:418 |
12 |
1 |
320 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
18355 |
147.7 |
-2.1 |
0.514 |
2 |
0 |
0 |
0.054 |
| 20 |
22 |
|
[C8E]A:401 |
7 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
18111 |
144.5 |
4.2 |
0.022 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
B |
19 |
7 |
18355 |
◊ |
[C8E]B:410 |
x-1/2,-y-1/2,-z |
4_445 |
11 |
1 |
398 |
132.0 |
1.6 |
0.067 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[C8E]A:402 |
6 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
18111 |
129.3 |
3.5 |
0.089 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[C8E]B:405 |
6 |
1 |
267 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
18355 |
127.6 |
3.8 |
0.578 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[C8E]B:407 |
8 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
18355 |
124.7 |
-2.6 |
0.711 |
0 |
0 |
0 |
0.048 |
| 25 |
27 |
|
A |
18 |
4 |
18111 |
◊ |
[C8E]A:412 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
334 |
124.6 |
2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[C8E]B:403 |
5 |
1 |
242 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
18355 |
123.0 |
3.9 |
0.123 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[C8E]B:409 |
10 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
18355 |
122.4 |
-1.0 |
0.769 |
2 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[C8E]B:410 |
9 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
18355 |
122.1 |
2.0 |
0.147 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[C8E]B:408 |
7 |
1 |
288 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
18355 |
120.4 |
3.2 |
0.021 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[C8E]A:412 |
9 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
18111 |
119.7 |
3.6 |
0.796 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[C8E]B:414 |
4 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
18355 |
115.9 |
3.8 |
0.232 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
B |
16 |
4 |
18355 |
f |
[C8E]B:409 |
x-1/2,-y-1/2,-z |
4_445 |
10 |
1 |
331 |
115.0 |
-3.4 |
0.415 |
0 |
0 |
0 |
0.061 |
| 33 |
35 |
|
A |
17 |
7 |
18111 |
◊ |
[C8E]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
315 |
114.5 |
-1.7 |
0.466 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[EDO]B:399 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
18355 |
112.4 |
2.6 |
0.439 |
3 |
0 |
0 |
0.000 |
| 35 |
37 |
|
A |
12 |
4 |
18111 |
◊ |
[C8E]A:404 |
x-1/2,-y+1/2,-z |
4_455 |
11 |
1 |
471 |
111.9 |
1.1 |
0.103 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[C8E]B:411 |
6 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
18355 |
110.6 |
2.7 |
0.010 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[C8E]A:406 |
5 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
18111 |
105.5 |
-3.7 |
0.510 |
2 |
0 |
0 |
0.032 |
| 38 |
40 |
|
[C8E]B:412 |
10 |
1 |
469 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
5 |
18111 |
93.7 |
2.0 |
0.187 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[C8E]B:416 |
5 |
1 |
242 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
18355 |
93.6 |
2.5 |
0.564 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[C8E]A:403 |
8 |
1 |
315 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
18111 |
92.2 |
-0.7 |
0.529 |
1 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[C8E]B:413 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18355 |
89.8 |
-2.0 |
0.783 |
1 |
0 |
0 |
0.044 |
| 42 |
44 |
|
[C8E]B:402 |
5 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
18355 |
89.0 |
2.5 |
0.490 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[EDO]A:399 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
18111 |
86.7 |
1.8 |
0.232 |
1 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[EDO]B:400 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
18355 |
77.5 |
2.9 |
0.326 |
3 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[C8E]B:412 |
8 |
1 |
469 |
◊ |
[C8E]A:405 |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
1 |
600 |
74.2 |
0.3 |
0.116 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[EDO]B:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18355 |
74.0 |
1.9 |
0.817 |
1 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[C8E]A:409 |
6 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
18111 |
73.8 |
-1.0 |
0.439 |
0 |
0 |
0 |
0.000 |
| 48 |
50 |
|
[C8E]A:410 |
6 |
1 |
239 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
18111 |
70.9 |
-2.2 |
0.735 |
3 |
0 |
0 |
0.025 |
| 49 |
51 |
|
[C8E]A:410 |
5 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
18111 |
70.6 |
-1.8 |
0.431 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[C8E]A:408 |
5 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
14 |
2 |
18111 |
68.4 |
-0.8 |
0.529 |
0 |
0 |
0 |
0.006 |
| 51 |
53 |
|
B |
4 |
3 |
18355 |
◊ |
[C8E]B:408 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
288 |
61.7 |
1.0 |
0.173 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
[C8E]A:405 |
6 |
1 |
600 |
◊ |
[C8E]A:404 |
x,y,z |
1_555 |
8 |
1 |
471 |
60.9 |
4.0 |
0.276 |
0 |
0 |
0 |
0.000 |
| 53 |
55 |
|
[C8E]A:408 |
6 |
1 |
255 |
f |
[C8E]A:407 |
x,y,z |
1_555 |
8 |
1 |
339 |
59.2 |
1.2 |
0.003 |
0 |
0 |
0 |
0.000 |
| 54 |
56 |
|
[C8E]A:409 |
7 |
1 |
310 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
18111 |
58.7 |
-1.9 |
0.313 |
0 |
0 |
0 |
0.014 |
| 55 |
57 |
|
[C8E]B:402 |
6 |
1 |
297 |
f |
[C8E]B:410 |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
398 |
56.5 |
3.7 |
0.272 |
0 |
0 |
0 |
0.000 |
| 56 |
58 |
|
[C8E]A:409 |
6 |
1 |
310 |
◊ |
[C8E]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
315 |
56.4 |
-1.5 |
0.623 |
0 |
0 |
0 |
0.000 |
| 57 |
59 |
|
[C8E]B:402 |
5 |
1 |
297 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
18355 |
56.0 |
1.0 |
0.407 |
0 |
0 |
0 |
0.000 |
| 58 |
60 |
|
A |
5 |
3 |
18111 |
f |
[C8E]A:402 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
270 |
54.9 |
0.8 |
0.305 |
0 |
0 |
0 |
0.000 |
| 59 |
61 |
|
[C8E]A:400 |
4 |
1 |
323 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
18111 |
46.8 |
0.7 |
0.373 |
0 |
0 |
0 |
0.000 |
| 60 |
62 |
|
A |
7 |
2 |
18111 |
◊ |
[VNL]B:418 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
320 |
46.6 |
-0.6 |
0.596 |
0 |
0 |
0 |
0.000 |
| 61 |
63 |
|
[C8E]B:411 |
5 |
1 |
264 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
18355 |
43.4 |
0.9 |
0.368 |
0 |
0 |
0 |
0.000 |
| 62 |
64 |
|
[C8E]A:411 |
5 |
1 |
312 |
◊ |
[C8E]A:409 |
x,y,z |
1_555 |
6 |
1 |
310 |
42.2 |
-0.8 |
0.809 |
0 |
0 |
0 |
0.000 |
| 63 |
65 |
|
[C8E]A:412 |
5 |
1 |
334 |
◊ |
[C8E]A:402 |
x,y,z |
1_555 |
2 |
1 |
270 |
39.6 |
2.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 64 |
66 |
|
[C8E]A:411 |
5 |
1 |
312 |
◊ |
[C8E]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
315 |
38.6 |
-0.9 |
0.735 |
0 |
0 |
0 |
0.000 |
| 65 |
67 |
|
[C8E]A:410 |
2 |
1 |
239 |
◊ |
[C8E]A:400 |
x,y,z |
1_555 |
4 |
1 |
323 |
37.1 |
0.4 |
0.866 |
0 |
0 |
0 |
0.000 |
| 66 |
68 |
|
[C8E]B:405 |
4 |
1 |
267 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
18355 |
36.8 |
0.5 |
0.331 |
0 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[C8E]B:410 |
3 |
1 |
398 |
f |
[C8E]B:408 |
x,y,z |
1_555 |
6 |
1 |
288 |
36.0 |
1.3 |
0.248 |
0 |
0 |
0 |
0.000 |
| 68 |
70 |
|
B |
2 |
2 |
18355 |
f |
[C8E]B:403 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
242 |
35.0 |
0.5 |
0.245 |
0 |
0 |
0 |
0.000 |
| 69 |
71 |
|
[C8E]B:411 |
4 |
1 |
264 |
◊ |
[C8E]B:403 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
242 |
32.6 |
2.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 70 |
72 |
|
[C8E]A:412 |
3 |
1 |
334 |
f |
[C8E]A:404 |
x,y,z |
1_555 |
6 |
1 |
471 |
32.6 |
1.8 |
0.324 |
0 |
0 |
0 |
0.000 |
| 71 |
73 |
|
[C8E]A:413 |
1 |
1 |
470 |
f |
[C8E]A:400 |
x,y,z |
1_555 |
2 |
1 |
323 |
30.3 |
1.5 |
0.894 |
0 |
0 |
0 |
0.000 |
| 72 |
74 |
|
[C8E]B:411 |
4 |
1 |
264 |
f |
[C8E]B:410 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
398 |
26.8 |
0.7 |
0.153 |
0 |
0 |
0 |
0.000 |
| 73 |
75 |
|
[C8E]B:411 |
1 |
1 |
264 |
◊ |
[C8E]B:409 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
331 |
26.7 |
0.9 |
0.726 |
0 |
0 |
0 |
0.000 |
| 74 |
76 |
|
[C8E]B:409 |
3 |
1 |
331 |
◊ |
[C8E]B:408 |
x,y,z |
1_555 |
1 |
1 |
288 |
26.0 |
1.0 |
0.707 |
0 |
0 |
0 |
0.000 |
| 75 |
77 |
|
[C8E]A:405 |
2 |
1 |
600 |
f |
[C8E]A:406 |
x,y,z |
1_555 |
5 |
1 |
213 |
22.4 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
| 76 |
78 |
|
[C8E]B:406 |
3 |
1 |
394 |
f |
[C8E]B:412 |
x,y,z |
1_555 |
2 |
1 |
469 |
22.1 |
1.3 |
0.530 |
0 |
0 |
0 |
0.000 |
| 77 |
79 |
|
[C8E]A:402 |
1 |
1 |
270 |
f |
[C8E]A:401 |
x,y,z |
1_555 |
1 |
1 |
288 |
19.9 |
1.3 |
0.378 |
0 |
0 |
0 |
0.000 |
| 78 |
80 |
|
[C8E]B:406 |
2 |
1 |
394 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
18111 |
15.8 |
-0.0 |
0.415 |
0 |
0 |
0 |
0.000 |
| 79 |
81 |
|
[C8E]B:402 |
2 |
1 |
297 |
f |
[C8E]B:408 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
288 |
15.7 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 80 |
82 |
|
[C8E]B:411 |
1 |
1 |
264 |
f |
[C8E]B:408 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
288 |
13.5 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 81 |
83 |
|
[C8E]B:410 |
3 |
1 |
398 |
◊ |
[C8E]B:403 |
x,y,z |
1_555 |
2 |
1 |
242 |
12.2 |
0.7 |
0.248 |
0 |
0 |
0 |
0.000 |
| 82 |
84 |
|
[VNL]A:415 |
1 |
1 |
320 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
18355 |
11.5 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
| 83 |
85 |
|
[EDO]B:401 |
1 |
1 |
185 |
f |
[EDO]B:399 |
x,y,z |
1_555 |
3 |
1 |
185 |
9.9 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 84 |
86 |
|
[C8E]B:414 |
1 |
1 |
215 |
f |
[C8E]B:405 |
x,y,z |
1_555 |
2 |
1 |
267 |
7.6 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 85 |
87 |
|
[C8E]B:412 |
1 |
1 |
469 |
◊ |
[C8E]A:406 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
213 |
7.1 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
| 86 |
88 |
|
[VNL]B:418 |
3 |
1 |
320 |
◊ |
[C8E]B:409 |
x,y,z |
1_555 |
1 |
1 |
331 |
4.1 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
| 87 |
89 |
|
[C8E]A:403 |
1 |
1 |
315 |
f |
[C8E]A:404 |
x,y,z |
1_555 |
1 |
1 |
471 |
2.6 |
0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
| 88 |
90 |
|
[C8E]B:402 |
1 |
1 |
297 |
f |
[C8E]B:416 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
242 |
0.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 89 |
91 |
|
[C8E]B:416 |
1 |
1 |
242 |
f |
[C8E]B:415 |
x,y,z |
1_555 |
1 |
1 |
294 |
0.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|