| ## |
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 |
217 |
56 |
14490 |
◊ |
A |
x,y,z |
1_555 |
209 |
54 |
14315 |
2118.5 |
-6.8 |
0.423 |
42 |
13 |
0 |
0.091 |
| 2 |
2 |
|
B |
74 |
20 |
14490 |
◊ |
B |
-x,y,-z |
3_555 |
74 |
20 |
14490 |
642.6 |
0.8 |
0.684 |
10 |
10 |
0 |
0.000 |
| 3 |
3 |
|
A |
45 |
14 |
14315 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
44 |
16 |
14490 |
374.2 |
-0.4 |
0.533 |
7 |
4 |
0 |
0.000 |
| 4 |
4 |
|
[MPD]A:406 |
7 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
14315 |
202.4 |
-12.3 |
0.614 |
0 |
0 |
0 |
0.041 |
| 5 |
5 |
|
[TEP]A:402 |
13 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
14315 |
188.6 |
4.3 |
0.299 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[MPD]B:408 |
8 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
14490 |
181.3 |
-12.3 |
0.381 |
0 |
0 |
0 |
0.041 |
| 7 |
7 |
|
[MPD]A:404 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
14315 |
181.1 |
-12.3 |
0.387 |
1 |
0 |
0 |
0.042 |
| 8 |
8 |
|
[TEP]B:402 |
13 |
1 |
322 |
f |
B |
x,y,z |
1_555 |
36 |
15 |
14490 |
171.8 |
3.8 |
0.272 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
22 |
6 |
14490 |
◊ |
A |
-x,-y,z |
2_555 |
17 |
4 |
14315 |
169.5 |
3.4 |
0.891 |
4 |
5 |
0 |
0.000 |
| 10 |
10 |
|
[MPD]B:410 |
8 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
14490 |
167.1 |
-10.1 |
0.591 |
1 |
0 |
0 |
0.035 |
| 11 |
11 |
|
[MPD]B:411 |
7 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
14490 |
154.5 |
-9.5 |
0.625 |
1 |
0 |
0 |
0.033 |
| 12 |
12 |
|
[MPD]A:403 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
14315 |
152.1 |
-10.3 |
0.406 |
2 |
0 |
0 |
0.037 |
| 13 |
13 |
|
[MPD]B:407 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
14490 |
141.2 |
-8.3 |
0.655 |
1 |
0 |
0 |
0.029 |
| 14 |
14 |
|
[MPD]A:405 |
7 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
14315 |
139.9 |
-8.2 |
0.761 |
3 |
0 |
0 |
0.031 |
| 15 |
15 |
|
[MPD]B:403 |
7 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
14490 |
136.5 |
-9.3 |
0.453 |
0 |
0 |
0 |
0.031 |
| 16 |
16 |
|
[MPD]B:409 |
6 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
14490 |
136.3 |
-8.8 |
0.548 |
1 |
0 |
0 |
0.031 |
| 17 |
17 |
|
[MPD]B:404 |
6 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
14490 |
130.2 |
-6.3 |
0.885 |
2 |
0 |
0 |
0.024 |
| 18 |
18 |
|
[SO4]A:410 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
14315 |
124.7 |
-21.0 |
0.532 |
2 |
0 |
0 |
0.072 |
| 19 |
19 |
|
[MPD]B:406 |
6 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
14490 |
115.5 |
-7.6 |
0.472 |
2 |
0 |
0 |
0.028 |
| 20 |
20 |
|
[MPD]A:407 |
6 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14315 |
112.9 |
-6.0 |
0.848 |
2 |
0 |
0 |
0.023 |
| 21 |
21 |
|
[SO4]B:412 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
14490 |
112.4 |
-15.1 |
0.685 |
1 |
0 |
0 |
0.052 |
| 22 |
22 |
|
[SO4]A:409 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
14315 |
108.3 |
-15.5 |
0.701 |
2 |
0 |
0 |
0.054 |
| 23 |
23 |
|
[MPD]B:405 |
6 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
14490 |
107.7 |
-7.4 |
0.426 |
0 |
0 |
0 |
0.024 |
| 24 |
24 |
|
[SO4]B:414 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
14490 |
97.1 |
-13.5 |
0.834 |
2 |
0 |
0 |
0.047 |
| 25 |
25 |
|
[SO4]A:408 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14315 |
95.1 |
-13.8 |
0.540 |
0 |
0 |
0 |
0.046 |
| 26 |
26 |
|
[MPD]A:403 |
6 |
1 |
278 |
f |
[TEP]A:402 |
x,y,z |
1_555 |
9 |
1 |
322 |
90.1 |
-2.3 |
0.257 |
0 |
0 |
0 |
0.008 |
| 27 |
27 |
|
[MPD]B:403 |
6 |
1 |
273 |
f |
[TEP]B:402 |
x,y,z |
1_555 |
11 |
1 |
322 |
88.7 |
-1.9 |
0.188 |
0 |
0 |
0 |
0.006 |
| 28 |
28 |
|
[SO4]B:415 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
14490 |
83.7 |
-13.1 |
0.547 |
1 |
0 |
0 |
0.045 |
| 29 |
29 |
|
[SO4]B:413 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14490 |
80.7 |
-11.8 |
0.708 |
1 |
0 |
0 |
0.040 |
| 30 |
30 |
|
[NA]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
14315 |
74.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.064 |
31 |
|
[NA]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
14490 |
74.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
74.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.064 |
| 31 |
32 |
|
A |
10 |
3 |
14315 |
◊ |
[MPD]B:407 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
275 |
61.7 |
-4.0 |
0.483 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
B |
10 |
5 |
14490 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
11 |
5 |
14315 |
56.6 |
1.1 |
0.760 |
1 |
2 |
0 |
0.000 |
| 33 |
34 |
|
[MPD]B:411 |
4 |
1 |
270 |
f |
[MPD]B:410 |
x,y,z |
1_555 |
5 |
1 |
264 |
43.0 |
-4.1 |
0.999 |
0 |
0 |
0 |
0.014 |
| 34 |
35 |
|
A |
5 |
3 |
14315 |
◊ |
[MPD]B:406 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
266 |
34.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[MPD]B:410 |
3 |
1 |
264 |
f |
[MPD]B:408 |
x,y,z |
1_555 |
1 |
1 |
267 |
26.9 |
-2.6 |
0.610 |
0 |
0 |
0 |
0.009 |
| 36 |
37 |
|
[MPD]B:407 |
3 |
1 |
275 |
f |
[MPD]B:403 |
x,y,z |
1_555 |
3 |
1 |
273 |
26.2 |
-2.5 |
1.000 |
0 |
0 |
0 |
0.008 |
| 37 |
38 |
|
[MPD]A:406 |
2 |
1 |
270 |
f |
[MPD]A:404 |
x,y,z |
1_555 |
2 |
1 |
276 |
21.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.007 |
| 38 |
39 |
|
[MPD]B:407 |
2 |
1 |
275 |
f |
[TEP]B:402 |
x,y,z |
1_555 |
2 |
1 |
322 |
17.1 |
-0.4 |
0.688 |
0 |
0 |
0 |
0.001 |
| 39 |
40 |
|
A |
4 |
3 |
14315 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
2 |
14315 |
15.7 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[SO4]B:415 |
2 |
1 |
186 |
f |
[MPD]B:406 |
x,y,z |
1_555 |
3 |
1 |
266 |
10.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 41 |
42 |
|
[MPD]A:407 |
1 |
1 |
275 |
◊ |
A |
-x,-y,z |
2_555 |
3 |
1 |
14315 |
8.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[MPD]A:404 |
1 |
1 |
276 |
f |
[NA]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
| 43 |
44 |
|
[SO4]B:414 |
2 |
1 |
186 |
f |
[SO4]B:413 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.2 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.003 |
|