| ## |
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 |
280 |
71 |
20068 |
◊ |
A |
x,y,z |
1_555 |
282 |
75 |
19850 |
2731.0 |
-37.5 |
0.009 |
32 |
9 |
0 |
0.000 |
| 2 |
2 |
|
A |
88 |
25 |
19850 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
91 |
27 |
20068 |
746.3 |
-1.2 |
0.685 |
7 |
6 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:500 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
85 |
25 |
20068 |
590.5 |
-20.6 |
0.288 |
1 |
0 |
0 |
0.070 |
4 |
|
[HEM]A:500 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
88 |
26 |
19850 |
583.9 |
-20.5 |
0.309 |
2 |
0 |
0 |
0.070 |
| Average: |
587.2 |
-20.6 |
0.298 |
2 |
0 |
0 |
0.070 |
| 4 |
5 |
|
A |
51 |
17 |
19850 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
50 |
16 |
19850 |
421.8 |
-2.6 |
0.493 |
2 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
24 |
9 |
20068 |
x |
B |
x-1,y,z |
1_455 |
22 |
6 |
20068 |
200.5 |
-2.3 |
0.363 |
1 |
1 |
0 |
0.000 |
| 6 |
7 |
|
[H4B]B:2600 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
20068 |
190.5 |
2.4 |
0.520 |
2 |
0 |
0 |
0.000 |
8 |
|
[H4B]A:1600 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
19850 |
181.7 |
2.5 |
0.523 |
2 |
0 |
0 |
0.000 |
| Average: |
186.1 |
2.5 |
0.521 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]A:1600 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20068 |
115.0 |
-0.1 |
0.267 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[H4B]B:2600 |
12 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19850 |
113.7 |
-0.2 |
0.291 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[ACT]A:1860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19850 |
112.0 |
-1.3 |
0.520 |
2 |
0 |
0 |
0.007 |
| 10 |
12 |
|
[ACT]B:2860 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20068 |
109.3 |
-1.2 |
0.493 |
2 |
0 |
0 |
0.007 |
| 11 |
13 |
|
[GOL]B:2880 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20068 |
95.1 |
1.3 |
0.788 |
3 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[GOL]A:1880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19850 |
92.0 |
-0.2 |
0.539 |
4 |
0 |
0 |
0.006 |
| 13 |
15 |
|
[CAC]A:1950 |
3 |
1 |
200 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19850 |
90.0 |
-0.5 |
0.168 |
0 |
0 |
0 |
0.002 |
| 14 |
16 |
|
[CAC]B:2950 |
3 |
1 |
200 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20068 |
84.7 |
-0.6 |
0.144 |
0 |
0 |
0 |
0.002 |
| 15 |
17 |
|
[CAC]B:2950 |
3 |
1 |
200 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
3 |
20068 |
77.3 |
1.3 |
0.371 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
A |
12 |
6 |
19850 |
◊ |
[CAC]A:1950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
200 |
69.6 |
1.7 |
0.421 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[GOL]A:1880 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20068 |
63.5 |
-0.3 |
0.562 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[GOL]B:2880 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
19850 |
62.9 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[NO]B:2910 |
2 |
1 |
127 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
20068 |
61.2 |
-2.3 |
0.496 |
1 |
0 |
0 |
0.009 |
| 20 |
22 |
|
[NO]A:1910 |
2 |
1 |
128 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19850 |
58.8 |
-2.2 |
0.517 |
0 |
0 |
0 |
0.007 |
| 21 |
23 |
|
B |
6 |
1 |
20068 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
19850 |
52.7 |
-0.5 |
0.391 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
A |
7 |
4 |
19850 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
20068 |
46.6 |
-0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[H4B]B:2600 |
4 |
1 |
400 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
821 |
43.1 |
-1.3 |
0.448 |
1 |
0 |
0 |
0.007 |
26 |
|
[H4B]A:1600 |
3 |
1 |
399 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
814 |
41.3 |
-1.5 |
0.436 |
2 |
0 |
0 |
0.007 |
| Average: |
42.2 |
-1.4 |
0.442 |
2 |
0 |
0 |
0.007 |
| 24 |
27 |
|
[NO]B:2910 |
2 |
1 |
127 |
cf |
[HEM]B:500 |
x,y,z |
1_555 |
19 |
1 |
821 |
42.7 |
-1.4 |
0.866 |
0 |
0 |
0 |
0.005 |
| 25 |
28 |
|
[NO]A:1910 |
2 |
1 |
128 |
cf |
[HEM]A:500 |
x,y,z |
1_555 |
19 |
1 |
814 |
42.6 |
-1.4 |
0.866 |
0 |
0 |
0 |
0.004 |
| 26 |
29 |
|
[GOL]A:1880 |
4 |
1 |
219 |
f |
[H4B]A:1600 |
x,y,z |
1_555 |
6 |
1 |
399 |
42.5 |
-0.4 |
0.245 |
1 |
0 |
0 |
0.003 |
| 27 |
30 |
|
[GOL]B:2880 |
5 |
1 |
221 |
f |
[H4B]B:2600 |
x,y,z |
1_555 |
6 |
1 |
400 |
39.8 |
0.1 |
0.286 |
2 |
0 |
0 |
0.003 |
| 28 |
31 |
|
[HEM]B:500 |
5 |
1 |
821 |
f |
[ACT]B:2860 |
x,y,z |
1_555 |
3 |
1 |
184 |
39.7 |
-1.1 |
0.749 |
0 |
0 |
0 |
0.004 |
| 29 |
32 |
|
B |
8 |
4 |
20068 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
19850 |
39.5 |
-1.0 |
0.200 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[HEM]A:500 |
5 |
1 |
814 |
f |
[ACT]A:1860 |
x,y,z |
1_555 |
3 |
1 |
183 |
34.7 |
-0.8 |
0.807 |
0 |
0 |
0 |
0.002 |
| 31 |
34 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20068 |
34.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19850 |
34.3 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
A |
3 |
1 |
19850 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
3 |
19850 |
21.1 |
0.3 |
0.749 |
0 |
0 |
0 |
0.000 |
|