## |
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 |
288 |
71 |
19931 |
◊ |
A |
x,y,z |
1_555 |
287 |
73 |
19794 |
2789.6 |
-38.1 |
0.018 |
31 |
9 |
0 |
0.453 |
2 |
2 |
|
A |
95 |
28 |
19794 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
94 |
28 |
19931 |
743.6 |
-2.9 |
0.682 |
8 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:501 |
43 |
1 |
811 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
19794 |
507.9 |
-17.5 |
0.331 |
1 |
0 |
0 |
0.305 |
4 |
|
[HEM]B:501 |
43 |
1 |
807 |
f |
B |
x,y,z |
1_555 |
78 |
25 |
19931 |
507.6 |
-17.5 |
0.325 |
1 |
0 |
0 |
0.305 |
Average: |
507.7 |
-17.5 |
0.328 |
1 |
0 |
0 |
0.305 |
4 |
5 |
|
A |
56 |
18 |
19794 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
51 |
15 |
19794 |
448.8 |
-4.3 |
0.401 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[1Q6]A:503 |
22 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
43 |
20 |
19794 |
288.3 |
0.2 |
0.579 |
3 |
0 |
0 |
0.031 |
7 |
|
[1Q6]B:503 |
22 |
1 |
579 |
f |
B |
x,y,z |
1_555 |
42 |
18 |
19931 |
285.2 |
-0.3 |
0.584 |
5 |
0 |
0 |
0.031 |
Average: |
286.7 |
-0.0 |
0.582 |
4 |
0 |
0 |
0.031 |
6 |
8 |
|
B |
34 |
10 |
19931 |
x |
B |
x-1,y,z |
1_455 |
25 |
6 |
19931 |
286.7 |
-2.6 |
0.420 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:502 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
19931 |
180.0 |
2.4 |
0.522 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:502 |
17 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
19794 |
174.6 |
2.5 |
0.521 |
2 |
0 |
0 |
0.000 |
Average: |
177.3 |
2.5 |
0.522 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[1Q6]A:503 |
16 |
1 |
595 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
32 |
1 |
811 |
150.7 |
-3.0 |
0.795 |
2 |
0 |
0 |
0.067 |
12 |
|
[1Q6]B:503 |
16 |
1 |
579 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
31 |
1 |
807 |
147.1 |
-3.1 |
0.824 |
2 |
0 |
0 |
0.067 |
Average: |
148.9 |
-3.1 |
0.810 |
2 |
0 |
0 |
0.067 |
9 |
13 |
|
[H4B]A:502 |
13 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
19931 |
115.2 |
-0.2 |
0.283 |
1 |
0 |
0 |
0.010 |
14 |
|
[H4B]B:502 |
13 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19794 |
114.3 |
-0.2 |
0.285 |
1 |
0 |
0 |
0.010 |
Average: |
114.7 |
-0.2 |
0.284 |
1 |
0 |
0 |
0.010 |
10 |
15 |
|
[ACT]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
19931 |
112.5 |
-1.3 |
0.503 |
2 |
0 |
0 |
0.019 |
11 |
16 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19794 |
112.2 |
-1.3 |
0.494 |
2 |
0 |
0 |
0.019 |
12 |
17 |
|
[GOL]A:506 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
19794 |
89.6 |
0.4 |
0.679 |
3 |
0 |
0 |
0.008 |
13 |
18 |
|
[GOL]B:506 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19931 |
89.5 |
0.8 |
0.771 |
3 |
0 |
0 |
0.004 |
14 |
19 |
|
[ACT]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
19794 |
77.0 |
1.2 |
0.837 |
3 |
0 |
0 |
0.001 |
15 |
20 |
|
[ACT]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19931 |
76.5 |
1.3 |
0.831 |
3 |
0 |
0 |
0.000 |
16 |
21 |
|
[GOL]B:506 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19794 |
49.7 |
-0.5 |
0.562 |
0 |
0 |
0 |
0.004 |
17 |
22 |
|
A |
8 |
4 |
19794 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
19931 |
48.5 |
-0.6 |
0.411 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]A:506 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
19931 |
48.1 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[ACT]A:505 |
4 |
1 |
185 |
f |
[1Q6]A:503 |
x,y,z |
1_555 |
7 |
1 |
595 |
47.9 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.006 |
20 |
25 |
|
[ACT]B:505 |
4 |
1 |
184 |
f |
[1Q6]B:503 |
x,y,z |
1_555 |
6 |
1 |
579 |
47.8 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.001 |
21 |
26 |
|
[H4B]A:502 |
5 |
1 |
396 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
811 |
41.6 |
-1.3 |
0.421 |
1 |
0 |
0 |
0.028 |
27 |
|
[H4B]B:502 |
4 |
1 |
395 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
807 |
40.7 |
-1.1 |
0.462 |
1 |
0 |
0 |
0.028 |
Average: |
41.2 |
-1.2 |
0.441 |
1 |
0 |
0 |
0.028 |
22 |
28 |
|
B |
7 |
2 |
19931 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
19794 |
41.6 |
-0.6 |
0.382 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[GOL]A:506 |
4 |
1 |
220 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
7 |
1 |
396 |
39.1 |
-0.2 |
0.282 |
1 |
0 |
0 |
0.005 |
24 |
30 |
|
[GOL]B:506 |
4 |
1 |
217 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
7 |
1 |
395 |
38.6 |
0.0 |
0.276 |
2 |
0 |
0 |
0.008 |
25 |
31 |
|
[ACT]B:504 |
3 |
1 |
184 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
807 |
35.2 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.009 |
26 |
32 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19794 |
35.0 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.257 |
33 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19931 |
34.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.257 |
Average: |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.257 |
27 |
34 |
|
[ACT]A:504 |
2 |
1 |
183 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
811 |
34.0 |
-1.0 |
0.695 |
0 |
0 |
0 |
0.009 |
28 |
35 |
|
[GOL]A:506 |
3 |
1 |
220 |
f |
[1Q6]A:503 |
x,y,z |
1_555 |
3 |
1 |
595 |
24.6 |
-0.8 |
0.372 |
0 |
0 |
0 |
0.012 |
36 |
|
[GOL]B:506 |
3 |
1 |
217 |
f |
[1Q6]B:503 |
x,y,z |
1_555 |
4 |
1 |
579 |
19.7 |
-0.6 |
0.429 |
0 |
0 |
0 |
0.012 |
Average: |
22.2 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.012 |
29 |
37 |
|
B |
7 |
3 |
19931 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
19794 |
21.8 |
0.6 |
0.779 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[1Q6]A:503 |
1 |
1 |
595 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19931 |
17.6 |
-0.6 |
0.284 |
0 |
0 |
0 |
0.008 |
39 |
|
[1Q6]B:503 |
1 |
1 |
579 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19794 |
11.9 |
-0.4 |
0.330 |
0 |
0 |
0 |
0.008 |
Average: |
14.8 |
-0.5 |
0.307 |
0 |
0 |
0 |
0.008 |
31 |
40 |
|
[ACT]A:505 |
1 |
1 |
185 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
2 |
1 |
811 |
14.2 |
-0.9 |
0.470 |
0 |
0 |
0 |
0.008 |
32 |
41 |
|
[ACT]B:505 |
1 |
1 |
184 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
2 |
1 |
807 |
14.1 |
-0.9 |
0.475 |
0 |
0 |
0 |
0.008 |
33 |
42 |
|
[GOL]B:506 |
2 |
1 |
217 |
f |
[ACT]B:505 |
x,y,z |
1_555 |
2 |
1 |
184 |
13.6 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.003 |
34 |
43 |
|
[GOL]A:506 |
3 |
1 |
220 |
f |
[ACT]A:505 |
x,y,z |
1_555 |
2 |
1 |
185 |
12.6 |
-0.2 |
0.500 |
0 |
0 |
0 |
0.001 |
35 |
44 |
|
A |
1 |
1 |
19794 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19794 |
10.4 |
0.3 |
0.858 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[1Q6]A:503 |
1 |
1 |
595 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
2 |
1 |
396 |
2.5 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[ACT]B:505 |
1 |
1 |
184 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
1 |
1 |
395 |
0.2 |
-0.0 |
0.343 |
0 |
0 |
0 |
0.000 |
|