## |
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 |
284 |
70 |
19978 |
◊ |
A |
x,y,z |
1_555 |
278 |
73 |
19718 |
2739.9 |
-37.4 |
0.013 |
31 |
10 |
0 |
0.470 |
2 |
2 |
|
A |
93 |
29 |
19718 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
94 |
28 |
19978 |
788.2 |
-3.5 |
0.617 |
8 |
7 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
42 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
80 |
23 |
19718 |
513.3 |
-18.1 |
0.351 |
1 |
0 |
0 |
0.326 |
4 |
|
[HEM]B:500 |
42 |
1 |
826 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
19978 |
510.6 |
-17.6 |
0.315 |
1 |
0 |
0 |
0.326 |
Average: |
511.9 |
-17.9 |
0.333 |
1 |
0 |
0 |
0.326 |
4 |
5 |
|
A |
56 |
18 |
19718 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
53 |
15 |
19718 |
463.0 |
-3.0 |
0.529 |
2 |
2 |
0 |
0.000 |
5 |
6 |
|
[S49]B:800 |
24 |
1 |
595 |
f |
B |
x,y,z |
1_555 |
46 |
21 |
19978 |
293.9 |
1.1 |
0.209 |
0 |
0 |
0 |
0.000 |
7 |
|
[S49]A:800 |
24 |
1 |
596 |
f |
A |
x,y,z |
1_555 |
44 |
21 |
19718 |
284.1 |
1.6 |
0.246 |
0 |
0 |
0 |
0.000 |
Average: |
289.0 |
1.3 |
0.228 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
31 |
11 |
19978 |
x |
B |
x-1,y,z |
1_455 |
28 |
7 |
19978 |
275.0 |
-4.4 |
0.201 |
2 |
2 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
19978 |
160.7 |
2.1 |
0.510 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
19718 |
160.4 |
2.1 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
160.5 |
2.1 |
0.512 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[S49]A:800 |
21 |
1 |
596 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
36 |
1 |
826 |
148.2 |
-4.6 |
0.161 |
0 |
0 |
0 |
0.086 |
12 |
|
[S49]B:800 |
22 |
1 |
595 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
32 |
1 |
826 |
146.4 |
-5.0 |
0.154 |
0 |
0 |
0 |
0.086 |
Average: |
147.3 |
-4.8 |
0.158 |
0 |
0 |
0 |
0.086 |
9 |
13 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
19978 |
114.6 |
-1.5 |
0.498 |
2 |
0 |
0 |
0.021 |
10 |
14 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
19718 |
112.7 |
-1.4 |
0.488 |
2 |
0 |
0 |
0.020 |
11 |
15 |
|
[H4B]B:600 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19718 |
109.3 |
-0.2 |
0.281 |
1 |
0 |
0 |
0.011 |
16 |
|
[H4B]A:600 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
19978 |
106.7 |
-0.1 |
0.280 |
1 |
0 |
0 |
0.011 |
Average: |
108.0 |
-0.2 |
0.281 |
1 |
0 |
0 |
0.011 |
12 |
17 |
|
[ACT]A:861 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19718 |
80.2 |
1.4 |
0.869 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
[ACT]B:861 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
19978 |
80.0 |
1.2 |
0.865 |
3 |
0 |
0 |
0.001 |
14 |
19 |
|
[GOL]A:880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19718 |
79.5 |
0.1 |
0.630 |
2 |
0 |
0 |
0.012 |
20 |
|
[GOL]B:880 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19978 |
77.4 |
0.3 |
0.650 |
2 |
0 |
0 |
0.012 |
Average: |
78.4 |
0.2 |
0.640 |
2 |
0 |
0 |
0.012 |
15 |
21 |
|
B |
12 |
4 |
19978 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
5 |
19718 |
72.0 |
-0.9 |
0.414 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[GOL]B:880 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
19718 |
61.7 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[GOL]A:880 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
19978 |
59.8 |
0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[ACT]A:861 |
3 |
1 |
183 |
f |
[S49]A:800 |
x,y,z |
1_555 |
11 |
1 |
596 |
52.9 |
-0.6 |
0.270 |
0 |
0 |
0 |
0.005 |
19 |
25 |
|
[ACT]B:861 |
4 |
1 |
184 |
f |
[S49]B:800 |
x,y,z |
1_555 |
12 |
1 |
595 |
51.2 |
-0.7 |
0.278 |
0 |
0 |
0 |
0.006 |
20 |
26 |
|
A |
8 |
4 |
19718 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
19978 |
49.7 |
-0.6 |
0.353 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[H4B]B:600 |
4 |
1 |
396 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
826 |
39.3 |
-1.0 |
0.485 |
1 |
0 |
0 |
0.031 |
28 |
|
[H4B]A:600 |
4 |
1 |
395 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
826 |
37.8 |
-1.1 |
0.467 |
2 |
0 |
0 |
0.031 |
Average: |
38.6 |
-1.1 |
0.476 |
2 |
0 |
0 |
0.031 |
22 |
29 |
|
[GOL]A:880 |
4 |
1 |
219 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
395 |
38.7 |
0.1 |
0.286 |
4 |
0 |
0 |
0.029 |
30 |
|
[GOL]B:880 |
4 |
1 |
221 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
396 |
37.0 |
0.2 |
0.288 |
4 |
0 |
0 |
0.029 |
Average: |
37.9 |
0.1 |
0.287 |
4 |
0 |
0 |
0.029 |
23 |
31 |
|
[GOL]B:880 |
4 |
1 |
221 |
f |
[S49]B:800 |
x,y,z |
1_555 |
5 |
1 |
595 |
38.6 |
0.6 |
0.408 |
0 |
0 |
0 |
0.000 |
32 |
|
[GOL]A:880 |
4 |
1 |
219 |
f |
[S49]A:800 |
x,y,z |
1_555 |
5 |
1 |
596 |
36.7 |
0.5 |
0.364 |
0 |
0 |
0 |
0.000 |
Average: |
37.7 |
0.5 |
0.386 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[ACT]A:860 |
1 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
826 |
35.1 |
-1.1 |
0.491 |
0 |
0 |
0 |
0.010 |
25 |
34 |
|
[ZN]A:1483 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19978 |
34.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.266 |
35 |
|
[ZN]A:1483 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19718 |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.266 |
Average: |
34.8 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.266 |
26 |
36 |
|
[ACT]B:860 |
2 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
826 |
32.4 |
-0.9 |
0.695 |
0 |
0 |
0 |
0.008 |
27 |
37 |
|
[S49]A:800 |
4 |
1 |
596 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
3 |
1 |
395 |
31.0 |
-0.4 |
0.181 |
0 |
0 |
0 |
0.003 |
28 |
38 |
|
[S49]B:800 |
5 |
1 |
595 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
3 |
1 |
396 |
29.8 |
-0.6 |
0.188 |
0 |
0 |
0 |
0.005 |
29 |
39 |
|
B |
6 |
2 |
19978 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
19718 |
17.9 |
0.5 |
0.813 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
A |
3 |
1 |
19718 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
19718 |
11.5 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[ACT]B:861 |
1 |
1 |
184 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
826 |
10.7 |
-0.7 |
0.358 |
0 |
0 |
0 |
0.006 |
32 |
42 |
|
[ACT]A:861 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
826 |
8.2 |
-0.6 |
0.358 |
0 |
0 |
0 |
0.005 |
33 |
43 |
|
[S49]B:800 |
1 |
1 |
595 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19718 |
1.1 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
|