## |
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 |
285 |
71 |
20234 |
◊ |
A |
x,y,z |
1_555 |
288 |
75 |
19898 |
2751.3 |
-38.3 |
0.010 |
33 |
9 |
0 |
0.428 |
2 |
2 |
|
A |
101 |
30 |
19898 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
95 |
29 |
20234 |
784.6 |
-0.9 |
0.753 |
9 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:501 |
43 |
1 |
828 |
f |
A |
x,y,z |
1_555 |
79 |
25 |
19898 |
514.4 |
-17.5 |
0.324 |
1 |
0 |
0 |
0.282 |
4 |
|
[HEM]B:501 |
43 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
81 |
24 |
20234 |
510.3 |
-17.4 |
0.349 |
1 |
0 |
0 |
0.282 |
Average: |
512.3 |
-17.4 |
0.337 |
1 |
0 |
0 |
0.282 |
4 |
5 |
|
A |
52 |
16 |
19898 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
54 |
15 |
19898 |
457.6 |
-3.8 |
0.428 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[QJ2]B:503 |
21 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
41 |
19 |
20234 |
284.2 |
-2.6 |
0.476 |
4 |
0 |
0 |
0.064 |
7 |
|
[QJ2]A:503 |
21 |
1 |
551 |
f |
A |
x,y,z |
1_555 |
39 |
18 |
19898 |
281.0 |
-1.9 |
0.534 |
4 |
0 |
0 |
0.064 |
Average: |
282.6 |
-2.3 |
0.505 |
4 |
0 |
0 |
0.064 |
6 |
8 |
|
B |
24 |
8 |
20234 |
x |
B |
x-1,y,z |
1_455 |
26 |
7 |
20234 |
276.8 |
-2.6 |
0.355 |
1 |
2 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:502 |
17 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
20234 |
181.7 |
2.4 |
0.496 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:502 |
17 |
1 |
393 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
19898 |
172.6 |
2.5 |
0.503 |
2 |
0 |
0 |
0.000 |
Average: |
177.1 |
2.5 |
0.500 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[QJ2]A:503 |
20 |
1 |
551 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
31 |
1 |
828 |
153.0 |
-5.3 |
0.798 |
0 |
0 |
0 |
0.085 |
12 |
|
[QJ2]B:503 |
20 |
1 |
549 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
32 |
1 |
830 |
150.3 |
-5.5 |
0.799 |
0 |
0 |
0 |
0.085 |
Average: |
151.6 |
-5.4 |
0.799 |
0 |
0 |
0 |
0.085 |
9 |
13 |
|
[H4B]A:502 |
13 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20234 |
114.9 |
-0.2 |
0.261 |
1 |
0 |
0 |
0.010 |
14 |
|
[H4B]B:502 |
13 |
1 |
394 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19898 |
108.8 |
-0.2 |
0.262 |
1 |
0 |
0 |
0.010 |
Average: |
111.9 |
-0.2 |
0.262 |
1 |
0 |
0 |
0.010 |
10 |
15 |
|
[ACT]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20234 |
113.8 |
-1.4 |
0.504 |
2 |
0 |
0 |
0.018 |
11 |
16 |
|
[ACT]A:504 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
19898 |
111.6 |
-1.2 |
0.514 |
2 |
0 |
0 |
0.017 |
12 |
17 |
|
[ACT]A:505 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19898 |
87.8 |
1.4 |
0.863 |
3 |
0 |
0 |
0.000 |
13 |
18 |
|
[GOL]B:506 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20234 |
87.3 |
1.3 |
0.789 |
3 |
0 |
0 |
0.000 |
14 |
19 |
|
[ACT]B:505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20234 |
85.3 |
1.5 |
0.862 |
4 |
0 |
0 |
0.002 |
15 |
20 |
|
[GOL]A:506 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19898 |
81.7 |
-0.2 |
0.570 |
4 |
0 |
0 |
0.016 |
16 |
21 |
|
[GOL]A:506 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20234 |
60.7 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.002 |
17 |
22 |
|
B |
8 |
4 |
20234 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
19898 |
59.5 |
-0.3 |
0.526 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]B:506 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19898 |
58.0 |
-0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[H4B]B:502 |
4 |
1 |
394 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
830 |
42.5 |
-1.2 |
0.454 |
1 |
0 |
0 |
0.028 |
25 |
|
[H4B]A:502 |
3 |
1 |
393 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
828 |
40.0 |
-1.4 |
0.432 |
1 |
0 |
0 |
0.028 |
Average: |
41.2 |
-1.3 |
0.443 |
1 |
0 |
0 |
0.028 |
20 |
26 |
|
A |
6 |
4 |
19898 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
20234 |
41.9 |
-0.5 |
0.294 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[GOL]A:506 |
4 |
1 |
217 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
7 |
1 |
393 |
39.1 |
-0.3 |
0.230 |
2 |
0 |
0 |
0.010 |
22 |
28 |
|
[GOL]B:506 |
4 |
1 |
219 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
7 |
1 |
394 |
38.7 |
0.2 |
0.272 |
4 |
0 |
0 |
0.013 |
23 |
29 |
|
[ACT]A:504 |
2 |
1 |
182 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
828 |
37.8 |
-1.2 |
0.689 |
0 |
0 |
0 |
0.010 |
24 |
30 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19898 |
34.7 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.242 |
31 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20234 |
34.4 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.242 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.242 |
25 |
32 |
|
[ACT]B:504 |
3 |
1 |
183 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
830 |
31.2 |
-0.9 |
0.757 |
0 |
0 |
0 |
0.007 |
26 |
33 |
|
[ACT]B:505 |
1 |
1 |
183 |
f |
[QJ2]B:503 |
x,y,z |
1_555 |
4 |
1 |
549 |
29.4 |
-0.4 |
0.419 |
0 |
0 |
0 |
0.003 |
27 |
34 |
|
[ACT]A:505 |
1 |
1 |
183 |
f |
[QJ2]A:503 |
x,y,z |
1_555 |
3 |
1 |
551 |
26.5 |
-0.3 |
0.593 |
0 |
0 |
0 |
0.002 |
28 |
35 |
|
[GOL]A:506 |
2 |
1 |
217 |
f |
[QJ2]A:503 |
x,y,z |
1_555 |
3 |
1 |
551 |
22.0 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.001 |
29 |
36 |
|
[GOL]B:506 |
2 |
1 |
219 |
f |
[QJ2]B:503 |
x,y,z |
1_555 |
2 |
1 |
549 |
19.2 |
-0.5 |
0.332 |
0 |
0 |
0 |
0.004 |
30 |
37 |
|
[ACT]B:505 |
1 |
1 |
183 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
1 |
1 |
830 |
15.6 |
-1.0 |
0.341 |
0 |
0 |
0 |
0.008 |
31 |
38 |
|
[QJ2]B:503 |
1 |
1 |
549 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19898 |
14.4 |
-0.5 |
0.389 |
0 |
0 |
0 |
0.006 |
39 |
|
[QJ2]A:503 |
1 |
1 |
551 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20234 |
10.8 |
-0.3 |
0.385 |
0 |
0 |
0 |
0.006 |
Average: |
12.6 |
-0.4 |
0.387 |
0 |
0 |
0 |
0.006 |
32 |
40 |
|
[ACT]A:505 |
1 |
1 |
183 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
1 |
1 |
828 |
14.0 |
-0.9 |
0.358 |
0 |
0 |
0 |
0.007 |
33 |
41 |
|
A |
1 |
1 |
19898 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
19898 |
9.7 |
0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
B |
4 |
1 |
20234 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19898 |
7.4 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[GOL]B:506 |
1 |
1 |
219 |
f |
[ACT]B:505 |
x,y,z |
1_555 |
1 |
1 |
183 |
3.4 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[QJ2]B:503 |
2 |
1 |
549 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
1 |
1 |
394 |
1.9 |
-0.1 |
0.267 |
0 |
0 |
0 |
0.001 |
45 |
|
[QJ2]A:503 |
1 |
1 |
551 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
1 |
1 |
393 |
1.4 |
-0.1 |
0.280 |
0 |
0 |
0 |
0.001 |
Average: |
1.7 |
-0.1 |
0.274 |
0 |
0 |
0 |
0.001 |
|