## |
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 |
|
A |
249 |
71 |
20282 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
248 |
71 |
20282 |
2640.0 |
-33.2 |
0.012 |
35 |
18 |
0 |
0.341 |
2 |
|
B |
266 |
71 |
20133 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
262 |
71 |
20133 |
2602.5 |
-30.5 |
0.035 |
27 |
14 |
0 |
0.341 |
Average: |
2621.3 |
-31.8 |
0.023 |
31 |
16 |
0 |
0.341 |
2 |
3 |
|
[HEM]A:901 |
42 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
82 |
24 |
20282 |
552.2 |
-19.0 |
0.300 |
1 |
0 |
0 |
0.270 |
4 |
|
[HEM]B:2901 |
41 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
79 |
23 |
20133 |
543.7 |
-18.9 |
0.292 |
1 |
0 |
0 |
0.270 |
Average: |
547.9 |
-19.0 |
0.296 |
1 |
0 |
0 |
0.270 |
3 |
5 |
|
A |
48 |
13 |
20282 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
9_765 |
48 |
13 |
20282 |
462.7 |
-2.8 |
0.473 |
4 |
0 |
0 |
0.000 |
6 |
|
B |
47 |
13 |
20133 |
◊ |
B |
-x+y+1,y,-z+3/2 |
11_656 |
48 |
13 |
20133 |
454.8 |
-3.2 |
0.435 |
2 |
0 |
0 |
0.000 |
Average: |
458.8 |
-3.0 |
0.454 |
3 |
0 |
0 |
0.000 |
4 |
7 |
|
[332]A:903 |
23 |
1 |
525 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
20282 |
295.6 |
-1.0 |
0.479 |
3 |
0 |
0 |
0.030 |
8 |
|
[332]B:2903 |
23 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
44 |
18 |
20133 |
292.6 |
-0.8 |
0.484 |
3 |
0 |
0 |
0.030 |
Average: |
294.1 |
-0.9 |
0.481 |
3 |
0 |
0 |
0.030 |
5 |
9 |
|
B |
34 |
11 |
20133 |
◊ |
A |
x,x-y,-z+7/6 |
12_556 |
37 |
10 |
20282 |
285.3 |
-3.8 |
0.276 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
[H4B]A:902 |
17 |
1 |
391 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
20282 |
206.9 |
2.0 |
0.478 |
3 |
0 |
0 |
0.000 |
11 |
|
[H4B]B:2902 |
17 |
1 |
393 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20133 |
204.0 |
1.8 |
0.439 |
2 |
0 |
0 |
0.000 |
Average: |
205.5 |
1.9 |
0.458 |
3 |
0 |
0 |
0.000 |
7 |
12 |
|
B |
23 |
8 |
20133 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
20282 |
176.5 |
-3.4 |
0.216 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[332]A:903 |
14 |
1 |
525 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
34 |
1 |
819 |
139.8 |
-1.7 |
0.751 |
0 |
0 |
0 |
0.025 |
14 |
|
[332]B:2903 |
14 |
1 |
522 |
f |
[HEM]B:2901 |
x,y,z |
1_555 |
33 |
1 |
819 |
139.0 |
-1.8 |
0.733 |
0 |
0 |
0 |
0.025 |
Average: |
139.4 |
-1.8 |
0.742 |
0 |
0 |
0 |
0.025 |
9 |
15 |
|
[H4B]B:2902 |
14 |
1 |
393 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
22 |
6 |
20133 |
117.4 |
-0.0 |
0.270 |
1 |
0 |
0 |
0.008 |
16 |
|
[H4B]A:902 |
14 |
1 |
391 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
19 |
6 |
20282 |
115.4 |
-0.1 |
0.246 |
1 |
0 |
0 |
0.008 |
Average: |
116.4 |
-0.1 |
0.258 |
1 |
0 |
0 |
0.008 |
10 |
17 |
|
[SO4]A:3004 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20282 |
79.5 |
-11.4 |
0.804 |
4 |
0 |
0 |
0.175 |
11 |
18 |
|
[SO4]A:3003 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20282 |
76.7 |
-8.8 |
0.959 |
3 |
0 |
0 |
0.134 |
12 |
19 |
|
[SO4]B:3004 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
20133 |
75.3 |
-10.6 |
0.790 |
3 |
0 |
0 |
0.167 |
13 |
20 |
|
[SO4]B:3003 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
20133 |
72.1 |
-8.4 |
0.941 |
3 |
0 |
0 |
0.135 |
14 |
21 |
|
A |
5 |
1 |
20282 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
5 |
1 |
20282 |
43.0 |
0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[H4B]B:2902 |
3 |
1 |
393 |
f |
[HEM]B:2901 |
x,y,z |
1_555 |
4 |
1 |
819 |
40.9 |
-1.3 |
0.399 |
2 |
0 |
0 |
0.031 |
23 |
|
[H4B]A:902 |
3 |
1 |
391 |
f |
[HEM]A:901 |
x,y,z |
1_555 |
4 |
1 |
819 |
40.8 |
-1.3 |
0.400 |
1 |
0 |
0 |
0.031 |
Average: |
40.9 |
-1.3 |
0.399 |
2 |
0 |
0 |
0.031 |
16 |
24 |
|
A |
4 |
2 |
20282 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
20133 |
36.5 |
1.1 |
0.879 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[SO4]B:3004 |
1 |
1 |
187 |
f |
[SO4]B:3003 |
x,y,z |
1_555 |
3 |
1 |
186 |
9.6 |
-2.3 |
0.891 |
0 |
0 |
0 |
0.032 |
18 |
26 |
|
[SO4]B:3003 |
1 |
1 |
186 |
◊ |
B |
-x+2,-x+y+1,-z+5/3 |
9_766 |
1 |
1 |
20133 |
5.3 |
-0.4 |
0.841 |
0 |
0 |
0 |
0.006 |
19 |
27 |
|
[SO4]A:3004 |
1 |
1 |
185 |
f |
[SO4]A:3003 |
x,y,z |
1_555 |
2 |
1 |
188 |
5.1 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.016 |
|