| ## |
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 |
270 |
70 |
20170 |
◊ |
A |
x,y,z |
1_555 |
260 |
68 |
19978 |
2601.3 |
-38.1 |
0.008 |
36 |
10 |
0 |
0.507 |
| 2 |
2 |
|
A |
67 |
19 |
19978 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
70 |
19 |
20170 |
660.8 |
-1.7 |
0.658 |
18 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:750 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
79 |
25 |
20170 |
527.4 |
-18.6 |
0.304 |
1 |
0 |
0 |
0.341 |
4 |
|
[HEM]A:750 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
19978 |
517.0 |
-17.9 |
0.321 |
1 |
0 |
0 |
0.341 |
| Average: |
522.2 |
-18.3 |
0.313 |
1 |
0 |
0 |
0.341 |
| 4 |
5 |
|
B |
51 |
15 |
20170 |
x |
B |
x-1,y,z |
1_455 |
52 |
15 |
20170 |
472.9 |
1.3 |
0.792 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[Q1T]A:800 |
24 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
54 |
20 |
19978 |
337.7 |
1.4 |
0.577 |
3 |
0 |
0 |
0.001 |
7 |
|
[Q1T]B:800 |
24 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
55 |
21 |
20170 |
336.8 |
1.1 |
0.567 |
3 |
0 |
0 |
0.001 |
| Average: |
337.3 |
1.3 |
0.572 |
3 |
0 |
0 |
0.001 |
| 6 |
8 |
|
B |
43 |
12 |
20170 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
9 |
19978 |
326.3 |
-1.4 |
0.573 |
2 |
1 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]B:760 |
17 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
20170 |
190.1 |
1.8 |
0.467 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19978 |
184.2 |
1.6 |
0.428 |
2 |
0 |
0 |
0.000 |
| Average: |
187.2 |
1.7 |
0.447 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
22 |
11 |
19978 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
10 |
20170 |
180.7 |
0.1 |
0.693 |
3 |
2 |
0 |
0.000 |
| 9 |
12 |
|
[Q1T]B:800 |
19 |
1 |
597 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
32 |
1 |
821 |
151.4 |
-4.2 |
0.536 |
1 |
0 |
0 |
0.085 |
13 |
|
[Q1T]A:800 |
16 |
1 |
595 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
31 |
1 |
819 |
146.9 |
-4.2 |
0.522 |
1 |
0 |
0 |
0.085 |
| Average: |
149.2 |
-4.2 |
0.529 |
1 |
0 |
0 |
0.085 |
| 10 |
14 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
20170 |
116.6 |
-0.8 |
0.586 |
1 |
0 |
0 |
0.012 |
| 11 |
15 |
|
[H4B]A:760 |
13 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
20170 |
116.0 |
-0.1 |
0.261 |
1 |
0 |
0 |
0.011 |
16 |
|
[H4B]B:760 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
19978 |
115.6 |
-0.2 |
0.270 |
1 |
0 |
0 |
0.011 |
| Average: |
115.8 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.011 |
| 12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19978 |
110.9 |
-1.3 |
0.484 |
1 |
0 |
0 |
0.016 |
| 13 |
18 |
|
[H4B]B:760 |
4 |
1 |
400 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
821 |
42.5 |
-1.2 |
0.461 |
1 |
0 |
0 |
0.029 |
19 |
|
[H4B]A:760 |
5 |
1 |
400 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
41.5 |
-1.2 |
0.418 |
1 |
0 |
0 |
0.029 |
| Average: |
42.0 |
-1.2 |
0.439 |
1 |
0 |
0 |
0.029 |
| 14 |
20 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
819 |
35.5 |
-1.1 |
0.752 |
0 |
0 |
0 |
0.010 |
| 15 |
21 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20170 |
34.5 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.270 |
22 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19978 |
34.4 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.270 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.270 |
| 16 |
23 |
|
[Q1T]A:800 |
4 |
1 |
595 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
400 |
32.5 |
0.4 |
0.259 |
1 |
0 |
0 |
0.002 |
24 |
|
[Q1T]B:800 |
4 |
1 |
597 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
3 |
1 |
400 |
30.2 |
0.3 |
0.269 |
1 |
0 |
0 |
0.002 |
| Average: |
31.4 |
0.4 |
0.264 |
1 |
0 |
0 |
0.002 |
| 17 |
25 |
|
B |
2 |
1 |
20170 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
3 |
20170 |
18.8 |
1.0 |
0.874 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[ACT]B:860 |
1 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
3 |
1 |
821 |
17.8 |
-0.0 |
0.974 |
0 |
0 |
0 |
0.000 |
| 19 |
27 |
|
A |
4 |
2 |
19978 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20170 |
17.3 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
A |
2 |
1 |
19978 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
19978 |
10.7 |
-0.3 |
0.272 |
0 |
0 |
0 |
0.000 |
|