| ## |
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 |
61 |
18 |
13200 |
x |
B |
x-1,y,z |
1_455 |
61 |
16 |
13200 |
553.3 |
4.8 |
0.864 |
15 |
1 |
0 |
0.000 |
2 |
|
A |
62 |
14 |
13174 |
x |
A |
x-1,y,z |
1_455 |
63 |
16 |
13174 |
550.3 |
4.5 |
0.871 |
15 |
0 |
0 |
0.000 |
| Average: |
551.8 |
4.7 |
0.867 |
15 |
1 |
0 |
0.000 |
| 2 |
3 |
|
B |
47 |
11 |
13200 |
x |
B |
x,y-1,z |
1_545 |
51 |
11 |
13200 |
466.6 |
-3.7 |
0.247 |
7 |
4 |
0 |
0.000 |
| 3 |
4 |
|
A |
42 |
11 |
13174 |
◊ |
B |
x-1,y,z-1 |
1_454 |
48 |
14 |
13200 |
446.4 |
-2.1 |
0.368 |
5 |
0 |
0 |
0.000 |
5 |
|
A |
48 |
13 |
13174 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
11 |
13200 |
442.6 |
-2.3 |
0.348 |
5 |
0 |
0 |
0.000 |
| Average: |
444.5 |
-2.2 |
0.358 |
5 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
32 |
8 |
13174 |
x |
A |
x,y-1,z |
1_545 |
33 |
7 |
13174 |
292.1 |
-0.2 |
0.570 |
3 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[DMS]B:1403 |
4 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
13200 |
140.6 |
2.4 |
0.396 |
1 |
0 |
0 |
0.000 |
8 |
|
[DMS]A:1402 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
13174 |
139.2 |
2.4 |
0.383 |
1 |
0 |
0 |
0.000 |
| Average: |
139.9 |
2.4 |
0.390 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[DMS]B:1412 |
4 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
13200 |
127.3 |
3.5 |
0.571 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[DMS]B:1409 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
13200 |
127.1 |
3.1 |
0.545 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[DMS]A:1417 |
4 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
13174 |
126.7 |
3.5 |
0.565 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[DMS]B:1405 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
13200 |
123.3 |
2.3 |
0.480 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[DMS]A:1407 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
13174 |
123.3 |
3.1 |
0.547 |
1 |
0 |
0 |
0.000 |
14 |
|
[DMS]B:1414 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
13200 |
114.8 |
2.8 |
0.545 |
1 |
0 |
0 |
0.000 |
| Average: |
119.1 |
2.9 |
0.546 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[DMS]A:1404 |
4 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
13174 |
121.3 |
2.2 |
0.472 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[DMS]B:1406 |
4 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
13200 |
119.7 |
2.4 |
0.468 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[DMS]A:1410 |
4 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
13174 |
116.1 |
2.4 |
0.370 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[DMS]B:1415 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13200 |
111.0 |
2.9 |
0.531 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[DMS]A:1416 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
13174 |
108.9 |
2.7 |
0.531 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[DMS]A:1408 |
4 |
1 |
213 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
13174 |
108.5 |
4.0 |
0.642 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[DMS]B:1401 |
4 |
1 |
212 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
13200 |
105.1 |
1.9 |
0.405 |
2 |
0 |
0 |
0.000 |
22 |
|
[DMS]A:1400 |
4 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
13174 |
104.6 |
1.7 |
0.398 |
1 |
0 |
0 |
0.000 |
| Average: |
104.8 |
1.8 |
0.402 |
2 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[DMS]B:1419 |
4 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
13200 |
103.3 |
1.6 |
0.376 |
2 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[DMS]A:1418 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13174 |
101.6 |
1.3 |
0.363 |
2 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[GOL]A:1300 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
13174 |
99.4 |
0.0 |
0.545 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[GOL]B:1302 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
13200 |
97.0 |
-0.7 |
0.375 |
1 |
0 |
0 |
0.005 |
| 22 |
27 |
|
[DMS]B:1413 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13200 |
92.6 |
0.9 |
0.374 |
2 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[DMS]A:1411 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13174 |
91.8 |
0.9 |
0.381 |
2 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[GOL]B:1303 |
6 |
1 |
218 |
f |
B |
x-1,y,z |
1_455 |
18 |
6 |
13200 |
89.3 |
-0.4 |
0.497 |
2 |
0 |
0 |
0.005 |
| 25 |
30 |
|
A |
17 |
6 |
13174 |
f |
[GOL]A:1301 |
x-1,y,z |
1_455 |
6 |
1 |
218 |
86.4 |
-0.3 |
0.514 |
2 |
0 |
0 |
0.004 |
| 26 |
31 |
|
[BR]B:1001 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
13200 |
74.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.046 |
32 |
|
[BR]A:1000 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13174 |
74.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
74.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| 27 |
33 |
|
[GOL]A:1300 |
5 |
1 |
218 |
f |
A |
x,y-1,z |
1_545 |
10 |
3 |
13174 |
70.5 |
-0.8 |
0.386 |
0 |
0 |
0 |
0.003 |
| 28 |
34 |
|
[NA]A:1200 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13174 |
68.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.051 |
35 |
|
[NA]B:1201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13200 |
68.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
68.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.051 |
| 29 |
36 |
|
B |
5 |
2 |
13200 |
◊ |
[GOL]B:1302 |
x-1,y,z |
1_455 |
3 |
1 |
219 |
64.3 |
0.2 |
0.614 |
1 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[CL]A:1100 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13174 |
62.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.035 |
38 |
|
[CL]B:1101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13200 |
60.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
61.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.035 |
| 31 |
39 |
|
[DMS]A:1410 |
4 |
1 |
215 |
f |
A |
x-1,y,z |
1_455 |
6 |
2 |
13174 |
54.8 |
0.2 |
0.328 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[DMS]B:1406 |
3 |
1 |
214 |
f |
B |
x,y-1,z |
1_545 |
10 |
3 |
13200 |
53.5 |
0.7 |
0.281 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
A |
9 |
3 |
13174 |
◊ |
[CL]B:1101 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
42.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[CL]A:1100 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
13200 |
41.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
42.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
[GOL]B:1303 |
2 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13200 |
37.9 |
0.2 |
0.715 |
1 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[GOL]A:1301 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13174 |
37.5 |
0.5 |
0.738 |
2 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[DMS]A:1407 |
3 |
1 |
214 |
f |
[DMS]A:1402 |
x,y,z |
1_555 |
3 |
1 |
215 |
34.4 |
-0.2 |
0.203 |
0 |
0 |
0 |
0.001 |
46 |
|
[DMS]B:1414 |
3 |
1 |
215 |
f |
[DMS]B:1403 |
x,y,z |
1_555 |
3 |
1 |
213 |
31.0 |
-0.4 |
0.113 |
0 |
0 |
0 |
0.001 |
| Average: |
32.7 |
-0.3 |
0.158 |
0 |
0 |
0 |
0.001 |
| 37 |
47 |
|
A |
2 |
1 |
13174 |
f |
[DMS]A:1404 |
x-1,y,z |
1_455 |
1 |
1 |
214 |
29.2 |
0.6 |
0.240 |
0 |
0 |
0 |
0.000 |
48 |
|
[DMS]B:1405 |
1 |
1 |
214 |
f |
B |
x-1,y,z |
1_455 |
2 |
1 |
13200 |
28.4 |
0.6 |
0.250 |
0 |
0 |
0 |
0.000 |
| Average: |
28.8 |
0.6 |
0.245 |
0 |
0 |
0 |
0.000 |
| 38 |
49 |
|
A |
4 |
1 |
13174 |
◊ |
[DMS]B:1413 |
x-1,y,z |
1_455 |
1 |
1 |
214 |
27.9 |
0.6 |
0.359 |
0 |
0 |
0 |
0.000 |
| 39 |
50 |
|
[DMS]A:1411 |
3 |
1 |
215 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
1 |
13200 |
26.1 |
0.3 |
0.230 |
0 |
0 |
0 |
0.000 |
| 40 |
51 |
|
B |
2 |
1 |
13200 |
f |
[DMS]B:1409 |
x,y-1,z |
1_545 |
2 |
1 |
214 |
25.4 |
0.3 |
0.296 |
0 |
0 |
0 |
0.000 |
| 41 |
52 |
|
[DMS]B:1414 |
1 |
1 |
215 |
f |
[GOL]B:1302 |
x,y,z |
1_555 |
4 |
1 |
219 |
23.4 |
0.9 |
0.568 |
0 |
0 |
0 |
0.000 |
| 42 |
53 |
|
[DMS]A:1400 |
1 |
1 |
213 |
f |
[BR]A:1000 |
x,y,z |
1_555 |
1 |
1 |
133 |
9.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
54 |
|
[DMS]B:1401 |
1 |
1 |
212 |
f |
[BR]B:1001 |
x,y,z |
1_555 |
1 |
1 |
133 |
8.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
8.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| 43 |
55 |
|
B |
1 |
1 |
13200 |
f |
[DMS]B:1412 |
x-1,y,z |
1_455 |
2 |
1 |
213 |
8.1 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 44 |
56 |
|
[DMS]A:1417 |
1 |
1 |
215 |
f |
A |
x-1,y,z |
1_455 |
2 |
1 |
13174 |
6.5 |
0.2 |
0.429 |
0 |
0 |
0 |
0.000 |
| 45 |
57 |
|
[DMS]A:1408 |
1 |
1 |
213 |
f |
B |
x-1,y,z |
1_455 |
2 |
1 |
13200 |
6.3 |
0.3 |
0.425 |
0 |
0 |
0 |
0.000 |
|