## |
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 |
281 |
72 |
20003 |
◊ |
A |
x,y,z |
1_555 |
281 |
76 |
19750 |
2708.2 |
-35.9 |
0.018 |
30 |
11 |
0 |
0.466 |
2 |
2 |
|
A |
88 |
25 |
19750 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
86 |
27 |
20003 |
706.1 |
-0.5 |
0.743 |
7 |
7 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
19750 |
523.1 |
-18.6 |
0.269 |
1 |
0 |
0 |
0.345 |
4 |
|
[HEM]B:500 |
43 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
80 |
25 |
20003 |
517.1 |
-18.1 |
0.291 |
1 |
0 |
0 |
0.345 |
Average: |
520.1 |
-18.3 |
0.280 |
1 |
0 |
0 |
0.345 |
4 |
5 |
|
A |
49 |
17 |
19750 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
16 |
19750 |
423.5 |
-1.5 |
0.572 |
4 |
1 |
0 |
0.000 |
5 |
6 |
|
[DP9]B:800 |
23 |
1 |
569 |
f |
B |
x,y,z |
1_555 |
49 |
20 |
20003 |
304.8 |
1.6 |
0.626 |
4 |
0 |
0 |
0.001 |
7 |
|
[DP9]A:799 |
22 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
44 |
19 |
19750 |
294.3 |
2.3 |
0.662 |
5 |
0 |
0 |
0.001 |
Average: |
299.5 |
1.9 |
0.644 |
5 |
0 |
0 |
0.001 |
6 |
8 |
|
B |
34 |
12 |
20003 |
x |
B |
x-1,y,z |
1_455 |
25 |
8 |
20003 |
263.5 |
-3.3 |
0.301 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:761 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
20003 |
188.2 |
2.6 |
0.525 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19750 |
173.4 |
2.5 |
0.530 |
2 |
0 |
0 |
0.000 |
Average: |
180.8 |
2.5 |
0.528 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[DP9]B:800 |
19 |
1 |
569 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
813 |
150.5 |
-3.5 |
0.687 |
1 |
0 |
0 |
0.074 |
12 |
|
[DP9]A:799 |
17 |
1 |
570 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
35 |
1 |
820 |
143.3 |
-3.7 |
0.615 |
1 |
0 |
0 |
0.074 |
Average: |
146.9 |
-3.6 |
0.651 |
1 |
0 |
0 |
0.074 |
9 |
13 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
20003 |
114.5 |
-0.0 |
0.281 |
1 |
0 |
0 |
0.010 |
14 |
|
[H4B]B:761 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19750 |
112.5 |
-0.2 |
0.284 |
1 |
0 |
0 |
0.010 |
Average: |
113.5 |
-0.1 |
0.283 |
1 |
0 |
0 |
0.010 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19750 |
111.0 |
-1.4 |
0.512 |
2 |
0 |
0 |
0.021 |
11 |
16 |
|
[ACT]B:861 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20003 |
109.7 |
-1.5 |
0.484 |
1 |
0 |
0 |
0.018 |
12 |
17 |
|
[CAC]B:852 |
3 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20003 |
90.5 |
0.0 |
0.252 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[CAC]A:850 |
3 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
19750 |
88.7 |
-1.1 |
0.219 |
0 |
0 |
0 |
0.010 |
14 |
19 |
|
[CAC]B:852 |
3 |
1 |
199 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20003 |
79.1 |
0.7 |
0.417 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]B:882 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20003 |
78.3 |
0.9 |
0.732 |
2 |
0 |
0 |
0.000 |
16 |
21 |
|
[GOL]B:880 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
19750 |
69.5 |
-0.5 |
0.424 |
1 |
0 |
0 |
0.009 |
17 |
22 |
|
A |
14 |
6 |
19750 |
◊ |
[CAC]A:850 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
199 |
69.5 |
1.9 |
0.416 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]B:882 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
13 |
2 |
19750 |
58.5 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[GOL]B:880 |
5 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
20003 |
56.9 |
0.2 |
0.638 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
A |
7 |
4 |
19750 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
20003 |
46.0 |
-0.6 |
0.384 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[GOL]B:880 |
4 |
1 |
221 |
f |
[DP9]A:799 |
x,y,z |
1_555 |
6 |
1 |
570 |
43.1 |
0.1 |
0.465 |
2 |
0 |
0 |
0.007 |
22 |
27 |
|
[H4B]A:760 |
4 |
1 |
398 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
40.4 |
-1.5 |
0.433 |
2 |
0 |
0 |
0.041 |
28 |
|
[H4B]B:761 |
3 |
1 |
397 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
813 |
38.3 |
-1.2 |
0.456 |
2 |
0 |
0 |
0.041 |
Average: |
39.3 |
-1.3 |
0.444 |
2 |
0 |
0 |
0.041 |
23 |
29 |
|
B |
7 |
4 |
20003 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
19750 |
39.7 |
-0.9 |
0.250 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[GOL]B:880 |
3 |
1 |
221 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
6 |
1 |
398 |
39.5 |
-0.4 |
0.243 |
0 |
0 |
0 |
0.003 |
25 |
31 |
|
[GOL]B:882 |
4 |
1 |
221 |
f |
[DP9]B:800 |
x,y,z |
1_555 |
4 |
1 |
569 |
38.9 |
-0.3 |
0.437 |
1 |
0 |
0 |
0.006 |
26 |
32 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19750 |
34.8 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.272 |
33 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20003 |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.272 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.272 |
27 |
34 |
|
[HEM]B:500 |
5 |
1 |
813 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
182 |
33.3 |
-0.4 |
0.813 |
0 |
0 |
0 |
0.004 |
28 |
35 |
|
A |
4 |
1 |
19750 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
19750 |
33.0 |
0.5 |
0.779 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[GOL]B:882 |
5 |
1 |
221 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
4 |
1 |
397 |
32.4 |
-0.2 |
0.257 |
2 |
0 |
0 |
0.010 |
30 |
37 |
|
[HEM]A:500 |
5 |
1 |
820 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
3 |
1 |
182 |
30.6 |
-0.5 |
0.816 |
0 |
0 |
0 |
0.005 |
31 |
38 |
|
[DP9]A:799 |
2 |
1 |
570 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
398 |
11.0 |
-0.2 |
0.249 |
0 |
0 |
0 |
0.003 |
39 |
|
[DP9]B:800 |
3 |
1 |
569 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
1 |
1 |
397 |
10.4 |
-0.1 |
0.245 |
0 |
0 |
0 |
0.003 |
Average: |
10.7 |
-0.2 |
0.247 |
0 |
0 |
0 |
0.003 |
32 |
40 |
|
[DP9]A:799 |
1 |
1 |
570 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20003 |
10.4 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
41 |
|
[DP9]B:800 |
1 |
1 |
569 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19750 |
7.0 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
Average: |
8.7 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.001 |
33 |
42 |
|
B |
3 |
1 |
20003 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19750 |
3.3 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
|