## |
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 |
273 |
70 |
20291 |
◊ |
A |
x,y,z |
1_555 |
270 |
70 |
20067 |
2636.6 |
-40.1 |
0.005 |
37 |
10 |
0 |
0.504 |
2 |
2 |
|
A |
68 |
21 |
20067 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
20 |
20291 |
665.1 |
-1.1 |
0.695 |
15 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20291 |
516.3 |
-17.4 |
0.298 |
0 |
0 |
0 |
0.301 |
4 |
|
[HEM]A:750 |
43 |
1 |
816 |
f |
A |
x,y,z |
1_555 |
76 |
23 |
20067 |
515.6 |
-17.2 |
0.303 |
0 |
0 |
0 |
0.301 |
Average: |
516.0 |
-17.3 |
0.300 |
0 |
0 |
0 |
0.301 |
4 |
5 |
|
B |
48 |
14 |
20291 |
x |
B |
x-1,y,z |
1_455 |
49 |
15 |
20291 |
439.4 |
-0.6 |
0.645 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[X2E]B:805 |
26 |
1 |
671 |
f |
B |
x,y,z |
1_555 |
54 |
21 |
20291 |
382.0 |
0.8 |
0.446 |
2 |
0 |
0 |
0.002 |
7 |
|
[X2E]A:805 |
25 |
1 |
667 |
f |
A |
x,y,z |
1_555 |
56 |
20 |
20067 |
379.7 |
0.8 |
0.458 |
2 |
0 |
0 |
0.002 |
Average: |
380.8 |
0.8 |
0.452 |
2 |
0 |
0 |
0.002 |
6 |
8 |
|
B |
39 |
12 |
20291 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
9 |
20067 |
312.1 |
-1.8 |
0.525 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
24 |
11 |
20067 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
9 |
20291 |
196.4 |
0.5 |
0.729 |
2 |
3 |
0 |
0.000 |
8 |
10 |
|
[H4B]A:760 |
17 |
1 |
401 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
20067 |
190.6 |
1.9 |
0.434 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]B:760 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
20291 |
186.6 |
1.9 |
0.451 |
2 |
0 |
0 |
0.000 |
Average: |
188.6 |
1.9 |
0.442 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[X2E]B:805 |
17 |
1 |
671 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
30 |
1 |
814 |
165.9 |
-3.8 |
0.689 |
4 |
0 |
0 |
0.097 |
13 |
|
[X2E]A:805 |
18 |
1 |
667 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
816 |
165.4 |
-3.8 |
0.680 |
4 |
0 |
0 |
0.097 |
Average: |
165.7 |
-3.8 |
0.685 |
4 |
0 |
0 |
0.097 |
10 |
14 |
|
[H4B]A:760 |
13 |
1 |
401 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20291 |
116.0 |
-0.1 |
0.264 |
1 |
0 |
0 |
0.010 |
15 |
|
[H4B]B:760 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20067 |
116.0 |
-0.2 |
0.258 |
1 |
0 |
0 |
0.010 |
Average: |
116.0 |
-0.1 |
0.261 |
1 |
0 |
0 |
0.010 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20291 |
113.6 |
-1.4 |
0.475 |
1 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
20067 |
112.1 |
-1.4 |
0.488 |
1 |
0 |
0 |
0.016 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
401 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
816 |
39.9 |
-1.1 |
0.459 |
2 |
0 |
0 |
0.034 |
19 |
|
[H4B]B:760 |
4 |
1 |
398 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
814 |
39.5 |
-1.1 |
0.467 |
2 |
0 |
0 |
0.034 |
Average: |
39.7 |
-1.1 |
0.463 |
2 |
0 |
0 |
0.034 |
14 |
20 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
816 |
35.5 |
-1.1 |
0.751 |
0 |
0 |
0 |
0.010 |
15 |
21 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
814 |
35.3 |
-1.1 |
0.752 |
0 |
0 |
0 |
0.009 |
16 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20291 |
34.5 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.261 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20067 |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.261 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.261 |
17 |
24 |
|
[X2E]B:805 |
1 |
1 |
671 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20067 |
32.4 |
-1.0 |
0.156 |
0 |
0 |
0 |
0.018 |
25 |
|
[X2E]A:805 |
1 |
1 |
667 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20291 |
30.5 |
-1.0 |
0.158 |
0 |
0 |
0 |
0.018 |
Average: |
31.5 |
-1.0 |
0.157 |
0 |
0 |
0 |
0.018 |
18 |
26 |
|
[X2E]B:805 |
3 |
1 |
671 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
31.7 |
0.4 |
0.301 |
1 |
0 |
0 |
0.001 |
27 |
|
[X2E]A:805 |
3 |
1 |
667 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
401 |
31.4 |
0.4 |
0.302 |
1 |
0 |
0 |
0.001 |
Average: |
31.6 |
0.4 |
0.301 |
1 |
0 |
0 |
0.001 |
19 |
28 |
|
B |
1 |
1 |
20291 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20291 |
21.5 |
1.2 |
0.902 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
1 |
1 |
20067 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20067 |
4.6 |
-0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
1 |
1 |
20067 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20291 |
1.1 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|