## |
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 |
|
[HEM]A:201 |
43 |
1 |
806 |
f |
A |
x,y,z |
1_555 |
81 |
24 |
7659 |
597.5 |
-20.8 |
0.262 |
3 |
0 |
0 |
0.572 |
2 |
|
[HEM]B:201 |
43 |
1 |
823 |
f |
B |
x,y,z |
1_555 |
71 |
23 |
7431 |
554.1 |
-17.1 |
0.307 |
0 |
0 |
0 |
0.572 |
Average: |
575.8 |
-19.0 |
0.284 |
2 |
0 |
0 |
0.572 |
2 |
3 |
|
B |
49 |
13 |
7431 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
7659 |
456.6 |
0.2 |
0.630 |
2 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
33 |
10 |
7659 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
45 |
15 |
7431 |
312.5 |
-2.1 |
0.400 |
2 |
0 |
0 |
0.044 |
4 |
5 |
|
B |
32 |
10 |
7431 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
43 |
15 |
7659 |
305.2 |
-1.9 |
0.409 |
2 |
0 |
0 |
0.004 |
5 |
6 |
|
B |
27 |
7 |
7431 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
8 |
7659 |
253.8 |
-2.2 |
0.327 |
4 |
8 |
0 |
0.000 |
6 |
7 |
|
A |
24 |
8 |
7659 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
7 |
7659 |
217.7 |
-0.8 |
0.460 |
5 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
20 |
8 |
7431 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
23 |
7 |
7659 |
211.9 |
-2.5 |
0.239 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
19 |
7 |
7659 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
5 |
7659 |
178.6 |
4.1 |
0.921 |
2 |
2 |
0 |
0.000 |
9 |
10 |
|
B |
21 |
7 |
7431 |
x |
B |
-x-3/2,-y,z-1/2 |
2_354 |
21 |
5 |
7431 |
177.8 |
2.4 |
0.785 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
17 |
5 |
7431 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
5 |
7659 |
166.2 |
2.0 |
0.824 |
4 |
8 |
0 |
0.000 |
11 |
12 |
|
A |
20 |
9 |
7659 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
7 |
7431 |
162.3 |
-0.5 |
0.503 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
B |
16 |
6 |
7431 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
17 |
5 |
7431 |
157.6 |
-1.0 |
0.410 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:204 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
7659 |
106.0 |
3.1 |
0.430 |
4 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:203 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
7431 |
103.3 |
3.3 |
0.466 |
4 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:204 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
7431 |
98.6 |
2.8 |
0.446 |
4 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:203 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
7659 |
92.0 |
3.0 |
0.492 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:205 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
7431 |
81.1 |
3.1 |
0.320 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:206 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
7431 |
77.9 |
1.7 |
0.768 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
[SO4]A:206 |
5 |
1 |
182 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
11 |
5 |
7431 |
75.1 |
-10.4 |
0.672 |
1 |
0 |
0 |
0.158 |
20 |
21 |
|
[SO4]A:207 |
5 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
7659 |
72.2 |
-9.6 |
0.733 |
1 |
0 |
0 |
0.015 |
21 |
22 |
|
[SO4]A:206 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7659 |
71.6 |
-11.2 |
0.582 |
2 |
0 |
0 |
0.177 |
22 |
23 |
|
B |
11 |
6 |
7431 |
f |
[SO4]A:207 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
183 |
67.2 |
-10.4 |
0.612 |
2 |
0 |
0 |
0.165 |
23 |
24 |
|
A |
10 |
2 |
7659 |
◊ |
[EDO]A:205 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
183 |
63.3 |
2.0 |
0.247 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
B |
8 |
3 |
7431 |
◊ |
[EDO]A:203 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
183 |
41.5 |
1.0 |
0.736 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
B |
7 |
3 |
7431 |
◊ |
[EDO]A:205 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
183 |
38.0 |
1.4 |
0.898 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]B:205 |
2 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
2 |
1 |
7659 |
34.7 |
1.1 |
0.919 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]B:204 |
4 |
1 |
184 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
4 |
1 |
823 |
34.1 |
0.0 |
0.839 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]A:205 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
7659 |
33.3 |
0.9 |
0.849 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]A:204 |
2 |
1 |
184 |
f |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
2 |
7431 |
32.1 |
0.9 |
0.527 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]B:203 |
2 |
1 |
183 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
7659 |
29.3 |
0.9 |
0.758 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[SO4]A:207 |
1 |
1 |
183 |
◊ |
[EDO]A:203 |
x,y,z |
1_555 |
3 |
1 |
183 |
12.6 |
-1.6 |
0.894 |
0 |
0 |
0 |
0.002 |
|