## |
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 |
283 |
71 |
20020 |
◊ |
A |
x,y,z |
1_555 |
288 |
75 |
19865 |
2745.1 |
-36.7 |
0.015 |
34 |
10 |
0 |
0.406 |
2 |
2 |
|
A |
91 |
27 |
19865 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
88 |
27 |
20020 |
733.7 |
-3.4 |
0.605 |
7 |
5 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
43 |
1 |
827 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20020 |
511.9 |
-17.7 |
0.319 |
3 |
0 |
0 |
0.289 |
4 |
|
[HEM]A:500 |
43 |
1 |
824 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
19865 |
508.4 |
-17.7 |
0.312 |
3 |
0 |
0 |
0.289 |
Average: |
510.1 |
-17.7 |
0.316 |
3 |
0 |
0 |
0.289 |
4 |
5 |
|
A |
55 |
17 |
19865 |
x |
A |
-x,y-1/2,-z+1/2 |
4_545 |
50 |
13 |
19865 |
432.0 |
-5.2 |
0.298 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[M48]B:801 |
22 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
32 |
16 |
20020 |
248.4 |
-3.5 |
0.332 |
3 |
0 |
0 |
0.075 |
7 |
|
[M48]A:801 |
20 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
31 |
15 |
19865 |
247.7 |
-3.7 |
0.297 |
3 |
0 |
0 |
0.075 |
Average: |
248.0 |
-3.6 |
0.315 |
3 |
0 |
0 |
0.075 |
6 |
8 |
|
B |
30 |
10 |
20020 |
x |
B |
x-1,y,z |
1_455 |
23 |
7 |
20020 |
248.2 |
-2.6 |
0.366 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
20020 |
176.4 |
2.5 |
0.521 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
19865 |
172.2 |
2.6 |
0.523 |
2 |
0 |
0 |
0.000 |
Average: |
174.3 |
2.5 |
0.522 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[M48]A:801 |
16 |
1 |
554 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
29 |
1 |
824 |
151.4 |
-6.2 |
0.608 |
0 |
0 |
0 |
0.095 |
12 |
|
[M48]B:801 |
17 |
1 |
557 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
30 |
1 |
827 |
150.7 |
-6.2 |
0.623 |
0 |
0 |
0 |
0.095 |
Average: |
151.1 |
-6.2 |
0.616 |
0 |
0 |
0 |
0.095 |
9 |
13 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
20020 |
111.2 |
-1.3 |
0.509 |
2 |
0 |
0 |
0.017 |
10 |
14 |
|
[H4B]A:600 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20020 |
111.0 |
-0.1 |
0.273 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]B:600 |
13 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19865 |
109.1 |
-0.2 |
0.269 |
1 |
0 |
0 |
0.009 |
Average: |
110.1 |
-0.2 |
0.271 |
1 |
0 |
0 |
0.009 |
11 |
16 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
19865 |
110.9 |
-1.3 |
0.509 |
2 |
0 |
0 |
0.017 |
12 |
17 |
|
B |
15 |
5 |
20020 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
12 |
5 |
19865 |
94.7 |
-1.2 |
0.417 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[ACT]B:861 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
20020 |
89.2 |
1.3 |
0.866 |
3 |
0 |
0 |
0.000 |
19 |
|
[ACT]A:861 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
19865 |
87.4 |
1.4 |
0.866 |
3 |
0 |
0 |
0.000 |
Average: |
88.3 |
1.4 |
0.866 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[GOL]A:880 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19865 |
81.8 |
0.3 |
0.601 |
3 |
0 |
0 |
0.008 |
15 |
21 |
|
[GOL]B:880 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20020 |
81.4 |
0.3 |
0.620 |
3 |
0 |
0 |
0.008 |
16 |
22 |
|
[GOL]A:880 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20020 |
54.3 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[GOL]B:880 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19865 |
53.8 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
A |
8 |
4 |
19865 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
6 |
2 |
20020 |
53.2 |
-0.6 |
0.444 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[H4B]A:600 |
5 |
1 |
397 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
824 |
40.7 |
-1.3 |
0.420 |
1 |
0 |
0 |
0.027 |
26 |
|
[H4B]B:600 |
5 |
1 |
395 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
827 |
40.4 |
-1.3 |
0.423 |
1 |
0 |
0 |
0.027 |
Average: |
40.5 |
-1.3 |
0.421 |
1 |
0 |
0 |
0.027 |
20 |
27 |
|
[GOL]A:880 |
5 |
1 |
220 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
397 |
40.7 |
0.1 |
0.290 |
4 |
0 |
0 |
0.025 |
28 |
|
[GOL]B:880 |
4 |
1 |
219 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
395 |
39.2 |
0.1 |
0.291 |
4 |
0 |
0 |
0.025 |
Average: |
39.9 |
0.1 |
0.291 |
4 |
0 |
0 |
0.025 |
21 |
29 |
|
[GOL]B:880 |
3 |
1 |
219 |
f |
[M48]B:801 |
x,y,z |
1_555 |
8 |
1 |
557 |
36.4 |
-0.5 |
0.451 |
0 |
0 |
0 |
0.004 |
22 |
30 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
827 |
35.9 |
-1.1 |
0.755 |
0 |
0 |
0 |
0.008 |
23 |
31 |
|
[ZN]A:1483 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19865 |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.236 |
32 |
|
[ZN]A:1483 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20020 |
34.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.236 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.236 |
24 |
33 |
|
[GOL]A:880 |
4 |
1 |
220 |
f |
[M48]A:801 |
x,y,z |
1_555 |
8 |
1 |
554 |
34.3 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.004 |
25 |
34 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
824 |
34.0 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.008 |
26 |
35 |
|
[M48]A:801 |
4 |
1 |
554 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20020 |
31.8 |
0.3 |
0.425 |
0 |
0 |
0 |
0.000 |
36 |
|
[M48]B:801 |
4 |
1 |
557 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19865 |
30.6 |
0.3 |
0.424 |
0 |
0 |
0 |
0.000 |
Average: |
31.2 |
0.3 |
0.424 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
B |
4 |
3 |
20020 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
19865 |
31.6 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[ACT]B:861 |
3 |
1 |
184 |
f |
[M48]B:801 |
x,y,z |
1_555 |
5 |
1 |
557 |
30.6 |
-0.9 |
0.555 |
0 |
0 |
0 |
0.013 |
39 |
|
[ACT]A:861 |
1 |
1 |
182 |
f |
[M48]A:801 |
x,y,z |
1_555 |
4 |
1 |
554 |
29.4 |
-0.8 |
0.369 |
0 |
0 |
0 |
0.013 |
Average: |
30.0 |
-0.9 |
0.462 |
0 |
0 |
0 |
0.013 |
29 |
40 |
|
A |
1 |
1 |
19865 |
x |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
2 |
2 |
19865 |
15.0 |
0.4 |
0.839 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[ACT]B:861 |
1 |
1 |
184 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
827 |
12.1 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.012 |
42 |
|
[ACT]A:861 |
1 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
824 |
11.9 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.012 |
Average: |
12.0 |
-0.8 |
0.358 |
0 |
0 |
0 |
0.012 |
31 |
43 |
|
[M48]B:801 |
2 |
1 |
557 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
3 |
1 |
395 |
11.7 |
-0.4 |
0.314 |
0 |
0 |
0 |
0.006 |
44 |
|
[M48]A:801 |
2 |
1 |
554 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
1 |
1 |
397 |
10.2 |
-0.4 |
0.264 |
0 |
0 |
0 |
0.006 |
Average: |
11.0 |
-0.4 |
0.289 |
0 |
0 |
0 |
0.006 |
|