| ## |
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 |
267 |
71 |
20079 |
◊ |
A |
x,y,z |
1_555 |
256 |
66 |
19977 |
2591.2 |
-38.3 |
0.008 |
34 |
8 |
0 |
0.457 |
| 2 |
2 |
|
A |
67 |
19 |
19977 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
19 |
20079 |
667.3 |
-0.9 |
0.734 |
10 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:801 |
41 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20079 |
510.6 |
-18.1 |
0.309 |
1 |
0 |
0 |
0.312 |
4 |
|
[HEM]A:801 |
42 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
82 |
23 |
19977 |
510.2 |
-17.7 |
0.369 |
2 |
0 |
0 |
0.312 |
| Average: |
510.4 |
-17.9 |
0.339 |
2 |
0 |
0 |
0.312 |
| 4 |
5 |
|
B |
50 |
15 |
20079 |
x |
B |
x-1,y,z |
1_455 |
46 |
14 |
20079 |
432.7 |
0.2 |
0.697 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[KMJ]B:803 |
24 |
1 |
584 |
f |
B |
x,y,z |
1_555 |
42 |
19 |
20079 |
320.4 |
-3.3 |
0.372 |
5 |
0 |
0 |
0.086 |
7 |
|
[KMJ]A:803 |
24 |
1 |
580 |
f |
A |
x,y,z |
1_555 |
42 |
18 |
19977 |
303.6 |
-3.0 |
0.353 |
4 |
0 |
0 |
0.086 |
| Average: |
312.0 |
-3.2 |
0.362 |
5 |
0 |
0 |
0.086 |
| 6 |
8 |
|
B |
39 |
11 |
20079 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
7 |
19977 |
294.7 |
-1.0 |
0.609 |
2 |
2 |
0 |
0.000 |
| 7 |
9 |
|
A |
24 |
10 |
19977 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
8 |
20079 |
200.0 |
-0.5 |
0.635 |
0 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[H4B]B:802 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
20079 |
194.6 |
1.7 |
0.456 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:802 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
19977 |
191.4 |
2.2 |
0.489 |
2 |
0 |
0 |
0.000 |
| Average: |
193.0 |
2.0 |
0.472 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[KMJ]B:803 |
21 |
1 |
584 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
37 |
1 |
815 |
170.3 |
-4.7 |
0.709 |
1 |
0 |
0 |
0.080 |
13 |
|
[KMJ]A:803 |
20 |
1 |
580 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
38 |
1 |
818 |
169.8 |
-4.0 |
0.752 |
1 |
0 |
0 |
0.080 |
| Average: |
170.1 |
-4.4 |
0.730 |
1 |
0 |
0 |
0.080 |
| 10 |
14 |
|
[H4B]B:802 |
14 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
19977 |
121.2 |
-0.1 |
0.258 |
1 |
0 |
0 |
0.009 |
15 |
|
[H4B]A:802 |
14 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
20079 |
118.4 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.009 |
| Average: |
119.8 |
-0.1 |
0.261 |
1 |
0 |
0 |
0.009 |
| 11 |
16 |
|
[ACT]B:804 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20079 |
114.0 |
-1.2 |
0.527 |
1 |
0 |
0 |
0.014 |
| 12 |
17 |
|
[ACT]A:804 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19977 |
113.7 |
-1.4 |
0.490 |
1 |
0 |
0 |
0.015 |
| 13 |
18 |
|
[H4B]B:802 |
5 |
1 |
397 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
6 |
1 |
815 |
44.2 |
-1.0 |
0.499 |
1 |
0 |
0 |
0.027 |
19 |
|
[H4B]A:802 |
5 |
1 |
397 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
6 |
1 |
818 |
42.8 |
-0.8 |
0.508 |
2 |
0 |
0 |
0.027 |
| Average: |
43.5 |
-0.9 |
0.503 |
2 |
0 |
0 |
0.027 |
| 14 |
20 |
|
[ACT]A:804 |
1 |
1 |
182 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
818 |
36.4 |
-1.2 |
0.489 |
0 |
0 |
0 |
0.010 |
| 15 |
21 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19977 |
34.5 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.254 |
22 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20079 |
34.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.254 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.254 |
| 16 |
23 |
|
[ACT]B:804 |
3 |
1 |
182 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
815 |
30.7 |
-0.7 |
0.813 |
0 |
0 |
0 |
0.006 |
| 17 |
24 |
|
A |
5 |
3 |
19977 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
20079 |
28.9 |
0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[KMJ]A:803 |
2 |
1 |
580 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
2 |
1 |
397 |
17.4 |
0.2 |
0.379 |
0 |
0 |
0 |
0.000 |
26 |
|
[KMJ]B:803 |
3 |
1 |
584 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
1 |
1 |
397 |
4.9 |
-0.0 |
0.273 |
0 |
0 |
0 |
0.000 |
| Average: |
11.1 |
0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
B |
2 |
1 |
20079 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
20079 |
15.6 |
0.8 |
0.892 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[KMJ]B:803 |
2 |
1 |
584 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19977 |
11.0 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.003 |
29 |
|
[KMJ]A:803 |
1 |
1 |
580 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20079 |
10.5 |
-0.3 |
0.496 |
0 |
0 |
0 |
0.003 |
| Average: |
10.7 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.003 |
|