| ## |
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 |
95 |
27 |
7636 |
◊ |
A |
x,y,z |
1_555 |
94 |
27 |
7739 |
873.8 |
-6.7 |
0.419 |
14 |
8 |
0 |
0.179 |
| 2 |
2 |
|
[HEM]B:147 |
42 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
79 |
25 |
7636 |
557.1 |
-17.4 |
0.485 |
4 |
0 |
0 |
0.478 |
3 |
|
[HEM]A:147 |
42 |
1 |
825 |
f |
A |
x,y,z |
1_555 |
80 |
24 |
7739 |
548.1 |
-17.5 |
0.441 |
2 |
0 |
0 |
0.478 |
| Average: |
552.6 |
-17.4 |
0.463 |
3 |
0 |
0 |
0.478 |
| 3 |
4 |
|
A |
40 |
12 |
7739 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
41 |
12 |
7739 |
357.9 |
3.0 |
0.874 |
6 |
10 |
0 |
0.000 |
| 4 |
5 |
|
B |
35 |
14 |
7636 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
36 |
14 |
7636 |
336.5 |
-3.7 |
0.319 |
3 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
32 |
10 |
7636 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
32 |
9 |
7739 |
298.9 |
-0.7 |
0.593 |
4 |
3 |
0 |
0.000 |
| 6 |
7 |
|
B |
39 |
11 |
7636 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
28 |
11 |
7739 |
281.9 |
0.4 |
0.726 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
24 |
9 |
7739 |
x |
A |
-x+3/2,y-1/2,-z+1 |
4_646 |
30 |
13 |
7739 |
237.9 |
1.1 |
0.765 |
4 |
1 |
0 |
0.000 |
| 8 |
9 |
|
A |
26 |
6 |
7739 |
◊ |
B |
x,y-1,z |
1_545 |
25 |
8 |
7636 |
209.0 |
-0.3 |
0.590 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
22 |
7 |
7636 |
x |
B |
x,y-1,z |
1_545 |
19 |
8 |
7636 |
180.6 |
0.2 |
0.689 |
2 |
2 |
0 |
0.000 |
| 10 |
11 |
|
A |
8 |
3 |
7739 |
x |
A |
x,y-1,z |
1_545 |
15 |
5 |
7739 |
112.3 |
2.3 |
0.882 |
4 |
4 |
0 |
0.000 |
| 11 |
12 |
|
[XE]B:150 |
1 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
7636 |
101.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.057 |
13 |
|
[XE]A:149 |
1 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
7739 |
98.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
99.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| 12 |
14 |
|
[XE]B:149 |
1 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
7636 |
75.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.043 |
15 |
|
[XE]A:150 |
1 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
7739 |
73.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
74.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.043 |
| 13 |
16 |
|
[XE]B:151 |
1 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7636 |
66.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.038 |
17 |
|
[XE]A:151 |
1 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7739 |
65.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
66.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.038 |
| 14 |
18 |
|
[CMO]A:148 |
2 |
1 |
136 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
7739 |
60.3 |
-0.4 |
0.710 |
1 |
0 |
0 |
0.011 |
| 15 |
19 |
|
[CMO]B:148 |
2 |
1 |
136 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7636 |
60.0 |
-0.4 |
0.716 |
1 |
0 |
0 |
0.011 |
| 16 |
20 |
|
[HEM]B:147 |
6 |
1 |
822 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7739 |
58.8 |
-1.5 |
0.668 |
2 |
0 |
0 |
0.060 |
21 |
|
[HEM]A:147 |
6 |
1 |
825 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7636 |
58.5 |
-1.5 |
0.679 |
2 |
0 |
0 |
0.060 |
| Average: |
58.6 |
-1.5 |
0.673 |
2 |
0 |
0 |
0.060 |
| 17 |
22 |
|
[CMO]A:148 |
2 |
1 |
136 |
cf |
[HEM]A:147 |
x,y,z |
1_555 |
17 |
1 |
825 |
42.5 |
-1.8 |
0.500 |
0 |
0 |
0 |
0.023 |
| 18 |
23 |
|
[CMO]B:148 |
2 |
1 |
136 |
cf |
[HEM]B:147 |
x,y,z |
1_555 |
18 |
1 |
822 |
42.1 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.024 |
| 19 |
24 |
|
[XE]A:151 |
1 |
1 |
159 |
f |
[HEM]A:147 |
x,y,z |
1_555 |
11 |
1 |
825 |
40.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
|
[XE]B:151 |
1 |
1 |
159 |
f |
[HEM]B:147 |
x,y,z |
1_555 |
11 |
1 |
822 |
40.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
40.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.028 |
| 20 |
26 |
|
[XE]A:150 |
1 |
1 |
159 |
f |
[HEM]A:147 |
x,y,z |
1_555 |
3 |
1 |
825 |
32.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
27 |
|
[XE]B:149 |
1 |
1 |
159 |
f |
[HEM]B:147 |
x,y,z |
1_555 |
3 |
1 |
822 |
30.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
31.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 21 |
28 |
|
[HEM]B:147 |
4 |
1 |
822 |
◊ |
[HEM]A:147 |
x,y,z |
1_555 |
4 |
1 |
825 |
23.1 |
-1.7 |
0.726 |
0 |
0 |
0 |
0.021 |
| 22 |
29 |
|
[XE]A:151 |
1 |
1 |
159 |
f |
[XE]A:150 |
x,y,z |
1_555 |
1 |
1 |
159 |
14.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 23 |
30 |
|
[XE]B:151 |
1 |
1 |
159 |
f |
[XE]B:149 |
x,y,z |
1_555 |
1 |
1 |
159 |
11.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|