## |
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 |
296 |
73 |
19689 |
◊ |
A |
x,y,z |
1_555 |
298 |
77 |
19591 |
2774.1 |
-35.4 |
0.028 |
35 |
9 |
0 |
0.470 |
2 |
2 |
|
A |
93 |
28 |
19591 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
94 |
29 |
19689 |
745.1 |
-0.6 |
0.776 |
8 |
6 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
79 |
25 |
19689 |
526.4 |
-18.2 |
0.326 |
1 |
0 |
0 |
0.335 |
4 |
|
[HEM]A:500 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
19591 |
519.4 |
-18.2 |
0.286 |
1 |
0 |
0 |
0.335 |
Average: |
522.9 |
-18.2 |
0.306 |
1 |
0 |
0 |
0.335 |
4 |
5 |
|
A |
50 |
16 |
19591 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
15 |
19591 |
389.2 |
-3.2 |
0.476 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[DP2]B:793 |
23 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
42 |
19 |
19689 |
321.8 |
1.1 |
0.530 |
5 |
0 |
0 |
0.018 |
7 |
|
[DP2]A:792 |
23 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
43 |
18 |
19591 |
317.7 |
0.5 |
0.472 |
3 |
0 |
0 |
0.018 |
Average: |
319.7 |
0.8 |
0.501 |
4 |
0 |
0 |
0.018 |
6 |
8 |
|
B |
35 |
12 |
19689 |
x |
B |
x-1,y,z |
1_455 |
33 |
12 |
19689 |
283.4 |
-1.3 |
0.548 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:761 |
17 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
19689 |
182.3 |
2.6 |
0.530 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
29 |
10 |
19591 |
173.2 |
2.5 |
0.533 |
2 |
0 |
0 |
0.000 |
Average: |
177.8 |
2.5 |
0.532 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[DP2]B:793 |
20 |
1 |
616 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
35 |
1 |
820 |
149.2 |
-3.9 |
0.549 |
1 |
0 |
0 |
0.077 |
12 |
|
[DP2]A:792 |
19 |
1 |
621 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
33 |
1 |
818 |
148.7 |
-3.7 |
0.568 |
1 |
0 |
0 |
0.077 |
Average: |
149.0 |
-3.8 |
0.558 |
1 |
0 |
0 |
0.077 |
9 |
13 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
19689 |
111.6 |
-0.1 |
0.284 |
1 |
0 |
0 |
0.010 |
14 |
|
[H4B]B:761 |
13 |
1 |
399 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19591 |
109.0 |
-0.2 |
0.269 |
1 |
0 |
0 |
0.010 |
Average: |
110.3 |
-0.1 |
0.277 |
1 |
0 |
0 |
0.010 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19591 |
111.3 |
-1.4 |
0.493 |
2 |
0 |
0 |
0.020 |
11 |
16 |
|
[ACT]B:861 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
19689 |
109.6 |
-0.6 |
0.613 |
2 |
0 |
0 |
0.013 |
12 |
17 |
|
[CAC]B:852 |
3 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
19689 |
91.4 |
0.1 |
0.235 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[GOL]A:880 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19591 |
86.4 |
1.1 |
0.782 |
3 |
0 |
0 |
0.002 |
14 |
19 |
|
[CAC]A:850 |
3 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19591 |
85.8 |
-1.3 |
0.200 |
0 |
0 |
0 |
0.011 |
15 |
20 |
|
[GOL]B:882 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19689 |
84.5 |
0.8 |
0.765 |
3 |
0 |
0 |
0.005 |
16 |
21 |
|
A |
12 |
6 |
19591 |
◊ |
[CAC]A:850 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
199 |
70.1 |
2.3 |
0.691 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[CAC]B:852 |
3 |
1 |
199 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
4 |
19689 |
65.9 |
0.4 |
0.359 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
9 |
4 |
19591 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
19689 |
60.4 |
-0.5 |
0.479 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[GOL]A:880 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
19689 |
58.4 |
0.1 |
0.602 |
1 |
0 |
0 |
0.003 |
20 |
25 |
|
[GOL]B:882 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
19591 |
56.3 |
0.5 |
0.755 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[GOL]A:880 |
4 |
1 |
221 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
7 |
1 |
400 |
43.4 |
0.2 |
0.307 |
2 |
0 |
0 |
0.006 |
22 |
27 |
|
[H4B]B:761 |
4 |
1 |
399 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
40.7 |
-1.3 |
0.441 |
2 |
0 |
0 |
0.037 |
28 |
|
[H4B]A:760 |
4 |
1 |
400 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
818 |
40.7 |
-1.4 |
0.438 |
1 |
0 |
0 |
0.037 |
Average: |
40.7 |
-1.4 |
0.440 |
2 |
0 |
0 |
0.037 |
23 |
29 |
|
[GOL]B:882 |
5 |
1 |
215 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
7 |
1 |
399 |
39.8 |
0.1 |
0.303 |
3 |
0 |
0 |
0.011 |
24 |
30 |
|
[HEM]A:500 |
5 |
1 |
818 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
3 |
1 |
182 |
36.3 |
-0.9 |
0.799 |
0 |
0 |
0 |
0.008 |
25 |
31 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19689 |
34.3 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.267 |
32 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19591 |
34.2 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.267 |
Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.267 |
26 |
33 |
|
[GOL]B:882 |
3 |
1 |
215 |
f |
[DP2]B:793 |
x,y,z |
1_555 |
2 |
1 |
616 |
29.6 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
B |
5 |
2 |
19689 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
19591 |
29.5 |
1.0 |
0.884 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
A |
3 |
1 |
19591 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
3 |
19591 |
27.2 |
0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[GOL]A:880 |
3 |
1 |
221 |
f |
[DP2]A:792 |
x,y,z |
1_555 |
1 |
1 |
621 |
25.3 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[HEM]B:500 |
3 |
1 |
820 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
185 |
19.4 |
-0.2 |
0.782 |
0 |
0 |
0 |
0.002 |
31 |
38 |
|
B |
5 |
1 |
19689 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19591 |
16.3 |
-0.2 |
0.297 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[DP2]A:792 |
1 |
1 |
621 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
400 |
12.2 |
-0.1 |
0.280 |
0 |
0 |
0 |
0.002 |
40 |
|
[DP2]B:793 |
1 |
1 |
616 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
1 |
1 |
399 |
11.9 |
-0.1 |
0.280 |
0 |
0 |
0 |
0.002 |
Average: |
12.1 |
-0.1 |
0.280 |
0 |
0 |
0 |
0.002 |
33 |
41 |
|
[DP2]B:793 |
1 |
1 |
616 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19591 |
8.7 |
-0.3 |
0.405 |
0 |
0 |
0 |
0.004 |
42 |
|
[DP2]A:792 |
1 |
1 |
621 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19689 |
5.0 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.004 |
Average: |
6.9 |
-0.2 |
0.447 |
0 |
0 |
0 |
0.004 |
|