| ## |
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 |
74 |
26 |
25358 |
◊ |
A |
x,y-1,z |
1_545 |
88 |
25 |
25115 |
656.8 |
-5.2 |
0.301 |
3 |
0 |
0 |
0.000 |
2 |
|
B |
80 |
24 |
25358 |
◊ |
A |
x-1,y,z |
1_455 |
59 |
20 |
25115 |
625.2 |
-0.4 |
0.646 |
8 |
3 |
0 |
0.000 |
| Average: |
641.0 |
-2.8 |
0.474 |
6 |
2 |
0 |
0.000 |
| 2 |
3 |
|
[HEM]B:1021 |
43 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
84 |
33 |
25358 |
590.4 |
-20.5 |
0.524 |
5 |
0 |
0 |
0.089 |
4 |
|
[HEM]A:1001 |
43 |
1 |
840 |
f |
A |
x,y,z |
1_555 |
82 |
31 |
25115 |
565.3 |
-20.0 |
0.530 |
4 |
0 |
0 |
0.089 |
| Average: |
577.8 |
-20.3 |
0.527 |
5 |
0 |
0 |
0.089 |
| 3 |
5 |
|
B |
54 |
16 |
25358 |
◊ |
A |
x,y-1,z-1 |
1_544 |
40 |
12 |
25115 |
448.1 |
2.8 |
0.768 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
32 |
14 |
25358 |
◊ |
A |
x-1,y,z-1 |
1_454 |
45 |
16 |
25115 |
358.0 |
1.0 |
0.737 |
6 |
3 |
0 |
0.000 |
| Average: |
403.0 |
1.9 |
0.752 |
5 |
2 |
0 |
0.000 |
| 4 |
7 |
|
B |
47 |
15 |
25358 |
◊ |
A |
x,y,z-1 |
1_554 |
42 |
10 |
25115 |
353.8 |
-5.1 |
0.161 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[NAG]B:599 |
12 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
23 |
10 |
25358 |
178.5 |
4.0 |
0.443 |
3 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:599 |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
21 |
10 |
25115 |
174.2 |
3.7 |
0.372 |
3 |
0 |
0 |
0.000 |
| Average: |
176.3 |
3.8 |
0.407 |
3 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[NAG]B:596 |
14 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
16 |
7 |
25358 |
153.1 |
4.7 |
0.407 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[NAG]A:596 |
14 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
25115 |
144.5 |
4.0 |
0.322 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[NAG]A:602 |
14 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
25115 |
142.7 |
2.5 |
0.223 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:602 |
13 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
25358 |
135.6 |
2.5 |
0.227 |
0 |
0 |
0 |
0.000 |
| Average: |
139.2 |
2.5 |
0.225 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[PO4]B:2003 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
25358 |
114.3 |
-8.3 |
0.714 |
4 |
0 |
0 |
0.039 |
| 10 |
15 |
|
[PO4]A:2002 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
25115 |
113.4 |
-8.2 |
0.704 |
5 |
0 |
0 |
0.034 |
| 11 |
16 |
|
[PO4]A:2001 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
25115 |
102.4 |
-9.2 |
0.661 |
5 |
0 |
0 |
0.037 |
| 12 |
17 |
|
[PO4]B:2004 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
25358 |
102.1 |
-10.0 |
0.415 |
6 |
0 |
0 |
0.050 |
| 13 |
18 |
|
[OSM]B:2021 |
4 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
25358 |
96.1 |
-0.8 |
0.647 |
1 |
0 |
0 |
0.005 |
| 14 |
19 |
|
[CO3]B:2007 |
4 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
25358 |
95.9 |
1.6 |
0.704 |
5 |
0 |
0 |
0.002 |
| 15 |
20 |
|
[CO3]A:2006 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
25115 |
94.9 |
1.5 |
0.699 |
5 |
0 |
0 |
0.002 |
| 16 |
21 |
|
[NAG]B:605 |
9 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
25358 |
83.6 |
2.0 |
0.369 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:605 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
25115 |
80.3 |
1.9 |
0.284 |
0 |
0 |
0 |
0.000 |
| Average: |
81.9 |
2.0 |
0.327 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[PO4]A:2005 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
25115 |
83.6 |
-5.8 |
0.628 |
4 |
0 |
0 |
0.025 |
| 18 |
24 |
|
[NAG]A:597 |
8 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
25115 |
80.7 |
2.1 |
0.372 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[NAG]B:602 |
6 |
1 |
363 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
4 |
25115 |
78.1 |
1.6 |
0.368 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[NAG]A:597 |
9 |
1 |
363 |
cf |
[NAG]A:596 |
x,y,z |
1_555 |
7 |
1 |
361 |
74.6 |
2.1 |
0.108 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[NAG]A:600 |
10 |
1 |
364 |
cf |
[NAG]A:599 |
x,y,z |
1_555 |
7 |
1 |
363 |
73.6 |
2.1 |
0.089 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]A:603 |
8 |
1 |
360 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
7 |
1 |
363 |
71.3 |
1.8 |
0.095 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]B:603 |
8 |
1 |
361 |
cf |
[NAG]B:602 |
x,y,z |
1_555 |
7 |
1 |
363 |
70.8 |
1.3 |
0.075 |
1 |
0 |
0 |
0.000 |
| Average: |
71.9 |
1.7 |
0.086 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[NAG]B:600 |
10 |
1 |
366 |
cf |
[NAG]B:599 |
x,y,z |
1_555 |
6 |
1 |
361 |
73.5 |
1.7 |
0.091 |
1 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[NAG]B:597 |
9 |
1 |
364 |
cf |
[NAG]B:596 |
x,y,z |
1_555 |
6 |
1 |
365 |
70.8 |
1.7 |
0.096 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[OSM]B:2021 |
4 |
1 |
205 |
f |
[HEM]B:1021 |
x,y,z |
1_555 |
16 |
1 |
836 |
70.4 |
-2.0 |
0.848 |
0 |
0 |
0 |
0.008 |
| 25 |
33 |
|
[SCN]A:2012 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
25115 |
70.3 |
-1.4 |
0.627 |
0 |
0 |
0 |
0.005 |
| 26 |
34 |
|
[MAN]B:598 |
6 |
1 |
291 |
cf |
[NAG]B:597 |
x,y,z |
1_555 |
10 |
1 |
364 |
69.6 |
1.6 |
0.095 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[NAG]A:606 |
7 |
1 |
361 |
cf |
[NAG]A:605 |
x,y,z |
1_555 |
6 |
1 |
363 |
69.4 |
1.9 |
0.133 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[BMA]B:604 |
5 |
1 |
293 |
cf |
[NAG]B:603 |
x,y,z |
1_555 |
6 |
1 |
361 |
65.4 |
1.6 |
0.163 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[NAG]B:606 |
8 |
1 |
357 |
cf |
[NAG]B:605 |
x,y,z |
1_555 |
7 |
1 |
366 |
65.2 |
1.0 |
0.077 |
1 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[BMA]A:604 |
5 |
1 |
294 |
cf |
[NAG]A:603 |
x,y,z |
1_555 |
6 |
1 |
360 |
65.0 |
1.7 |
0.155 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[BMA]B:601 |
5 |
1 |
293 |
cf |
[NAG]B:600 |
x,y,z |
1_555 |
7 |
1 |
366 |
63.3 |
1.6 |
0.152 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[SCN]A:2012 |
3 |
1 |
184 |
f |
[HEM]A:1001 |
x,y,z |
1_555 |
18 |
1 |
840 |
60.7 |
-2.4 |
0.839 |
0 |
0 |
0 |
0.008 |
| 33 |
41 |
|
[MAN]A:601 |
8 |
1 |
291 |
cf |
[NAG]A:600 |
x,y,z |
1_555 |
6 |
1 |
364 |
59.9 |
1.2 |
0.094 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[MAN]A:598 |
8 |
1 |
292 |
cf |
[NAG]A:597 |
x,y,z |
1_555 |
6 |
1 |
363 |
59.7 |
0.8 |
0.098 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[NAG]B:603 |
8 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
25358 |
56.5 |
0.8 |
0.201 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[NAG]A:603 |
8 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
25115 |
55.5 |
1.0 |
0.216 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[CYN]A:2011 |
2 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
25115 |
55.0 |
-0.2 |
0.689 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
B |
6 |
2 |
25358 |
◊ |
[NAG]A:600 |
x,y,z-1 |
1_554 |
5 |
1 |
364 |
50.9 |
0.2 |
0.216 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
B |
6 |
3 |
25358 |
◊ |
[NAG]A:602 |
x-1,y,z |
1_455 |
5 |
1 |
363 |
50.6 |
0.2 |
0.185 |
0 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[NAG]B:603 |
3 |
1 |
361 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
25115 |
47.6 |
0.3 |
0.232 |
0 |
0 |
0 |
0.000 |
| 41 |
49 |
|
[NAG]A:600 |
5 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
25115 |
46.2 |
1.0 |
0.364 |
1 |
0 |
0 |
0.000 |
| 42 |
50 |
|
[NAG]B:600 |
3 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
25358 |
45.8 |
0.9 |
0.514 |
1 |
0 |
0 |
0.000 |
| 43 |
51 |
|
[CYN]A:2011 |
2 |
1 |
144 |
f |
[HEM]A:1001 |
x,y,z |
1_555 |
22 |
1 |
840 |
45.4 |
-1.4 |
0.866 |
0 |
0 |
0 |
0.005 |
| 44 |
52 |
|
[NAG]B:597 |
5 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
25358 |
43.3 |
1.5 |
0.461 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
[CO3]A:2006 |
3 |
1 |
163 |
f |
[NAG]A:596 |
x,y,z |
1_555 |
8 |
1 |
361 |
41.0 |
0.7 |
0.094 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
[CO3]B:2007 |
3 |
1 |
163 |
f |
[NAG]B:596 |
x,y,z |
1_555 |
7 |
1 |
365 |
31.2 |
0.3 |
0.106 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
B |
4 |
4 |
25358 |
◊ |
[NAG]A:599 |
x,y,z-1 |
1_554 |
7 |
1 |
363 |
30.7 |
0.6 |
0.215 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
[SCN]A:2012 |
3 |
1 |
184 |
f |
[CYN]A:2011 |
x,y,z |
1_555 |
2 |
1 |
144 |
26.5 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[BMA]A:604 |
3 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
25115 |
19.3 |
-0.0 |
0.286 |
0 |
0 |
0 |
0.000 |
58 |
|
[BMA]B:604 |
2 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
25358 |
12.2 |
-0.0 |
0.328 |
0 |
0 |
0 |
0.000 |
| Average: |
15.8 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.000 |
| 50 |
59 |
|
[BMA]B:601 |
3 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
25358 |
19.3 |
0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| 51 |
60 |
|
A |
4 |
1 |
25115 |
x |
A |
x,y,z-1 |
1_554 |
4 |
1 |
25115 |
19.2 |
0.3 |
0.653 |
0 |
0 |
0 |
0.000 |
| 52 |
61 |
|
B |
5 |
2 |
25358 |
◊ |
[NAG]A:603 |
x-1,y,z |
1_455 |
2 |
1 |
360 |
16.0 |
0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
| 53 |
62 |
|
B |
1 |
1 |
25358 |
◊ |
[PO4]A:2002 |
x-1,y,z-1 |
1_454 |
3 |
1 |
189 |
14.2 |
-1.0 |
0.366 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
[NAG]B:605 |
3 |
1 |
366 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
25115 |
13.3 |
0.6 |
0.446 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[BMA]B:604 |
2 |
1 |
293 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
25115 |
11.8 |
0.1 |
0.203 |
0 |
0 |
0 |
0.000 |
| 56 |
65 |
|
B |
1 |
1 |
25358 |
◊ |
[MAN]A:601 |
x,y,z-1 |
1_554 |
2 |
1 |
291 |
8.6 |
0.3 |
0.470 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
[PO4]B:2003 |
2 |
1 |
188 |
◊ |
A |
x,y-1,z-1 |
1_544 |
1 |
1 |
25115 |
6.4 |
-0.4 |
0.496 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
B |
1 |
1 |
25358 |
◊ |
[PO4]A:2005 |
x,y-1,z |
1_545 |
1 |
1 |
187 |
3.9 |
-0.2 |
0.789 |
0 |
0 |
0 |
0.000 |
| 59 |
68 |
|
[NAG]B:606 |
1 |
1 |
357 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
25115 |
3.7 |
0.1 |
0.272 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
B |
1 |
1 |
25358 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
25115 |
1.9 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
| 61 |
70 |
|
B |
1 |
1 |
25358 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
25358 |
1.7 |
0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
| 62 |
71 |
|
B |
1 |
1 |
25358 |
◊ |
[NAG]A:605 |
x,y-1,z-1 |
1_544 |
1 |
1 |
363 |
1.3 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
| 63 |
72 |
|
[NAG]B:606 |
1 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
25358 |
1.2 |
-0.0 |
0.255 |
0 |
0 |
0 |
0.000 |
|