## |
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 |
295 |
71 |
20164 |
◊ |
A |
x,y,z |
1_555 |
293 |
75 |
19989 |
2751.1 |
-36.4 |
0.017 |
34 |
8 |
0 |
0.496 |
2 |
2 |
|
A |
87 |
24 |
19989 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
86 |
26 |
20164 |
701.2 |
-1.0 |
0.722 |
7 |
6 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
42 |
1 |
829 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20164 |
528.7 |
-18.7 |
0.268 |
2 |
0 |
0 |
0.373 |
4 |
|
[HEM]A:500 |
42 |
1 |
829 |
f |
A |
x,y,z |
1_555 |
80 |
24 |
19989 |
526.8 |
-18.7 |
0.281 |
3 |
0 |
0 |
0.373 |
Average: |
527.7 |
-18.7 |
0.275 |
3 |
0 |
0 |
0.373 |
4 |
5 |
|
A |
53 |
17 |
19989 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
14 |
19989 |
396.8 |
-2.4 |
0.520 |
4 |
4 |
0 |
0.000 |
5 |
6 |
|
[H4B]B:701 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
20164 |
185.7 |
2.6 |
0.520 |
2 |
0 |
0 |
0.000 |
7 |
|
[H4B]A:700 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
19989 |
183.0 |
2.5 |
0.511 |
2 |
0 |
0 |
0.000 |
Average: |
184.4 |
2.5 |
0.515 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
26 |
10 |
20164 |
x |
B |
x-1,y,z |
1_455 |
21 |
6 |
20164 |
184.1 |
-2.7 |
0.315 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[PTU]A:810 |
12 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
28 |
13 |
19989 |
179.5 |
2.9 |
0.323 |
2 |
0 |
0 |
0.000 |
10 |
|
[PTU]B:811 |
11 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
20164 |
179.1 |
2.9 |
0.363 |
2 |
0 |
0 |
0.000 |
Average: |
179.3 |
2.9 |
0.343 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[PTU]A:810 |
12 |
1 |
359 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
34 |
1 |
829 |
127.6 |
-0.4 |
0.283 |
0 |
0 |
0 |
0.009 |
12 |
|
[PTU]B:811 |
12 |
1 |
362 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
34 |
1 |
829 |
127.5 |
-0.6 |
0.292 |
0 |
0 |
0 |
0.009 |
Average: |
127.6 |
-0.5 |
0.287 |
0 |
0 |
0 |
0.009 |
9 |
13 |
|
[H4B]A:700 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20164 |
113.5 |
-0.1 |
0.258 |
1 |
0 |
0 |
0.011 |
14 |
|
[H4B]B:701 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19989 |
112.5 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.011 |
Average: |
113.0 |
-0.1 |
0.261 |
1 |
0 |
0 |
0.011 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
19989 |
111.4 |
-1.3 |
0.488 |
2 |
0 |
0 |
0.021 |
11 |
16 |
|
[ACT]B:861 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
20164 |
111.1 |
-1.3 |
0.492 |
2 |
0 |
0 |
0.021 |
12 |
17 |
|
[GOL]A:880 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19989 |
93.1 |
0.2 |
0.604 |
3 |
0 |
0 |
0.010 |
13 |
18 |
|
[GOL]B:881 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20164 |
92.6 |
0.1 |
0.642 |
3 |
0 |
0 |
0.011 |
14 |
19 |
|
[CAD]A:950 |
3 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19989 |
90.7 |
-0.5 |
0.162 |
0 |
0 |
0 |
0.005 |
15 |
20 |
|
[ACT]A:850 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19989 |
88.2 |
1.4 |
0.859 |
3 |
0 |
0 |
0.003 |
21 |
|
[ACT]B:851 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20164 |
86.7 |
1.4 |
0.862 |
4 |
0 |
0 |
0.003 |
Average: |
87.4 |
1.4 |
0.860 |
4 |
0 |
0 |
0.003 |
16 |
22 |
|
[CAD]B:951 |
3 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20164 |
86.9 |
-0.7 |
0.143 |
0 |
0 |
0 |
0.007 |
17 |
23 |
|
[CAD]B:951 |
3 |
1 |
199 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20164 |
76.7 |
0.7 |
0.300 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
B |
8 |
3 |
20164 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
5 |
19989 |
70.7 |
-0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
A |
12 |
6 |
19989 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
200 |
67.9 |
1.8 |
0.420 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[GOL]B:881 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19989 |
63.2 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[GOL]A:880 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20164 |
61.3 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.001 |
22 |
28 |
|
A |
7 |
4 |
19989 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
20164 |
52.6 |
-0.5 |
0.410 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[GOL]A:880 |
4 |
1 |
218 |
f |
[H4B]A:700 |
x,y,z |
1_555 |
7 |
1 |
399 |
44.7 |
0.2 |
0.286 |
4 |
0 |
0 |
0.015 |
24 |
30 |
|
[GOL]B:881 |
5 |
1 |
218 |
f |
[H4B]B:701 |
x,y,z |
1_555 |
6 |
1 |
399 |
42.4 |
0.1 |
0.301 |
4 |
0 |
0 |
0.015 |
25 |
31 |
|
[H4B]B:701 |
4 |
1 |
399 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
829 |
42.1 |
-1.2 |
0.453 |
1 |
0 |
0 |
0.032 |
32 |
|
[H4B]A:700 |
4 |
1 |
399 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
829 |
41.1 |
-1.3 |
0.452 |
1 |
0 |
0 |
0.032 |
Average: |
41.6 |
-1.3 |
0.453 |
1 |
0 |
0 |
0.032 |
26 |
33 |
|
[HEM]B:500 |
5 |
1 |
829 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
2 |
1 |
182 |
37.8 |
-1.1 |
0.688 |
0 |
0 |
0 |
0.011 |
27 |
34 |
|
[HEM]A:500 |
5 |
1 |
829 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
3 |
1 |
183 |
35.5 |
-1.0 |
0.756 |
0 |
0 |
0 |
0.009 |
28 |
35 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20164 |
34.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.276 |
36 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19989 |
34.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.276 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.276 |
29 |
37 |
|
A |
3 |
1 |
19989 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
2 |
19989 |
32.1 |
0.3 |
0.702 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
B |
6 |
3 |
20164 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
19989 |
27.1 |
-0.7 |
0.320 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[HEM]A:500 |
2 |
1 |
829 |
f |
[ACT]A:850 |
x,y,z |
1_555 |
1 |
1 |
184 |
15.8 |
-1.1 |
0.468 |
0 |
0 |
0 |
0.020 |
40 |
|
[HEM]B:500 |
1 |
1 |
829 |
f |
[ACT]B:851 |
x,y,z |
1_555 |
1 |
1 |
183 |
15.8 |
-1.1 |
0.341 |
0 |
0 |
0 |
0.020 |
Average: |
15.8 |
-1.1 |
0.405 |
0 |
0 |
0 |
0.020 |
32 |
41 |
|
[PTU]B:811 |
2 |
1 |
362 |
f |
[ACT]B:851 |
x,y,z |
1_555 |
1 |
1 |
183 |
13.3 |
0.2 |
0.386 |
0 |
0 |
0 |
0.000 |
42 |
|
[PTU]A:810 |
2 |
1 |
359 |
f |
[ACT]A:850 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.2 |
0.1 |
0.368 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[GOL]B:881 |
1 |
1 |
218 |
f |
[ACT]B:851 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.2 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|