| ## |
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 |
272 |
72 |
20347 |
◊ |
A |
x,y,z |
1_555 |
266 |
69 |
19986 |
2626.2 |
-38.4 |
0.009 |
36 |
9 |
0 |
0.421 |
| 2 |
2 |
|
A |
66 |
19 |
19986 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
18 |
20347 |
659.0 |
-2.2 |
0.632 |
17 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:750 |
43 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20347 |
518.3 |
-17.6 |
0.310 |
1 |
0 |
0 |
0.275 |
4 |
|
[HEM]A:750 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
76 |
24 |
19986 |
517.0 |
-18.0 |
0.276 |
1 |
0 |
0 |
0.275 |
| Average: |
517.6 |
-17.8 |
0.293 |
1 |
0 |
0 |
0.275 |
| 4 |
5 |
|
B |
49 |
16 |
20347 |
x |
B |
x-1,y,z |
1_455 |
51 |
14 |
20347 |
454.1 |
0.0 |
0.656 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[HW7]A:800 |
26 |
1 |
674 |
f |
A |
x,y,z |
1_555 |
58 |
22 |
19986 |
389.0 |
-5.9 |
0.428 |
1 |
0 |
0 |
0.097 |
7 |
|
[HW7]B:800 |
27 |
1 |
684 |
f |
B |
x,y,z |
1_555 |
58 |
22 |
20347 |
385.0 |
-6.0 |
0.420 |
1 |
0 |
0 |
0.097 |
| Average: |
387.0 |
-6.0 |
0.424 |
1 |
0 |
0 |
0.097 |
| 6 |
8 |
|
B |
44 |
12 |
20347 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
9 |
19986 |
327.0 |
-2.8 |
0.450 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]B:760 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
32 |
9 |
20347 |
193.1 |
1.8 |
0.468 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
394 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
19986 |
190.1 |
1.6 |
0.470 |
2 |
0 |
0 |
0.000 |
| Average: |
191.6 |
1.7 |
0.469 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
28 |
11 |
19986 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
10 |
20347 |
187.7 |
0.6 |
0.752 |
1 |
2 |
0 |
0.000 |
| 9 |
12 |
|
[HW7]B:800 |
21 |
1 |
684 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
31 |
1 |
836 |
178.9 |
-7.1 |
0.730 |
2 |
0 |
0 |
0.119 |
13 |
|
[HW7]A:800 |
19 |
1 |
674 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
819 |
171.2 |
-6.5 |
0.746 |
3 |
0 |
0 |
0.119 |
| Average: |
175.1 |
-6.8 |
0.738 |
3 |
0 |
0 |
0.119 |
| 10 |
14 |
|
[H4B]B:760 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19986 |
114.3 |
-0.1 |
0.280 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:760 |
13 |
1 |
394 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20347 |
110.2 |
-0.2 |
0.273 |
1 |
0 |
0 |
0.009 |
| Average: |
112.2 |
-0.2 |
0.277 |
1 |
0 |
0 |
0.009 |
| 11 |
16 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19986 |
113.7 |
-1.3 |
0.503 |
1 |
0 |
0 |
0.013 |
| 12 |
17 |
|
[ACT]B:860 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20347 |
113.2 |
-1.4 |
0.502 |
1 |
0 |
0 |
0.014 |
| 13 |
18 |
|
[H4B]B:760 |
5 |
1 |
400 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
836 |
43.6 |
-1.3 |
0.415 |
2 |
0 |
0 |
0.032 |
19 |
|
[H4B]A:760 |
5 |
1 |
394 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
42.4 |
-1.1 |
0.442 |
2 |
0 |
0 |
0.032 |
| Average: |
43.0 |
-1.2 |
0.429 |
2 |
0 |
0 |
0.032 |
| 14 |
20 |
|
[ACT]B:860 |
2 |
1 |
181 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
4 |
1 |
836 |
35.8 |
-1.0 |
0.663 |
0 |
0 |
0 |
0.008 |
| 15 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20347 |
34.5 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.235 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19986 |
34.4 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.235 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.235 |
| 16 |
23 |
|
B |
2 |
1 |
20347 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
4 |
20347 |
33.3 |
1.7 |
0.923 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[HW7]B:800 |
1 |
1 |
684 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
19986 |
30.9 |
-1.0 |
0.272 |
0 |
0 |
0 |
0.015 |
25 |
|
[HW7]A:800 |
2 |
1 |
674 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20347 |
30.8 |
-1.0 |
0.267 |
0 |
0 |
0 |
0.015 |
| Average: |
30.8 |
-1.0 |
0.269 |
0 |
0 |
0 |
0.015 |
| 18 |
26 |
|
[HW7]A:800 |
3 |
1 |
674 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
394 |
30.2 |
0.2 |
0.264 |
1 |
0 |
0 |
0.003 |
27 |
|
[HW7]B:800 |
2 |
1 |
684 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
400 |
29.6 |
0.3 |
0.326 |
1 |
0 |
0 |
0.003 |
| Average: |
29.9 |
0.2 |
0.295 |
1 |
0 |
0 |
0.003 |
| 19 |
28 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
27.5 |
-0.7 |
0.837 |
0 |
0 |
0 |
0.005 |
| 20 |
29 |
|
A |
2 |
1 |
19986 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
20347 |
11.6 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
1 |
1 |
20347 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19986 |
5.6 |
-0.2 |
0.316 |
0 |
0 |
0 |
0.000 |
|