## |
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 |
269 |
70 |
20050 |
◊ |
A |
x,y,z |
1_555 |
267 |
68 |
20193 |
2648.6 |
-39.8 |
0.006 |
37 |
9 |
0 |
0.517 |
2 |
2 |
|
A |
68 |
19 |
20193 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
19 |
20050 |
652.2 |
-0.8 |
0.731 |
15 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
42 |
1 |
834 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20050 |
522.5 |
-17.7 |
0.301 |
1 |
0 |
0 |
0.323 |
4 |
|
[HEM]A:750 |
43 |
1 |
829 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
20193 |
519.9 |
-17.4 |
0.330 |
1 |
0 |
0 |
0.323 |
Average: |
521.2 |
-17.5 |
0.316 |
1 |
0 |
0 |
0.323 |
4 |
5 |
|
B |
50 |
15 |
20050 |
x |
B |
x-1,y,z |
1_455 |
53 |
15 |
20050 |
449.8 |
-0.9 |
0.665 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[2IK]A:800 |
25 |
1 |
642 |
f |
A |
x,y,z |
1_555 |
46 |
20 |
20193 |
349.9 |
-0.0 |
0.343 |
3 |
0 |
0 |
0.027 |
7 |
|
[2IK]B:800 |
26 |
1 |
639 |
f |
B |
x,y,z |
1_555 |
48 |
20 |
20050 |
347.6 |
-0.3 |
0.312 |
3 |
0 |
0 |
0.027 |
Average: |
348.8 |
-0.2 |
0.328 |
3 |
0 |
0 |
0.027 |
6 |
8 |
|
B |
42 |
12 |
20050 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
4_645 |
35 |
9 |
20193 |
313.6 |
-2.4 |
0.494 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:760 |
17 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
20050 |
197.8 |
1.6 |
0.014 |
0 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
20193 |
194.7 |
1.5 |
0.010 |
0 |
0 |
0 |
0.000 |
Average: |
196.3 |
1.5 |
0.012 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
22 |
11 |
20193 |
◊ |
B |
-x,y-1/2,-z+1/2 |
4_545 |
23 |
8 |
20050 |
184.9 |
0.6 |
0.752 |
1 |
2 |
0 |
0.000 |
9 |
12 |
|
[2IK]A:800 |
19 |
1 |
642 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
33 |
1 |
829 |
176.7 |
-2.8 |
0.677 |
2 |
0 |
0 |
0.068 |
13 |
|
[2IK]B:800 |
20 |
1 |
639 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
34 |
1 |
834 |
176.2 |
-3.0 |
0.665 |
2 |
0 |
0 |
0.068 |
Average: |
176.5 |
-2.9 |
0.671 |
2 |
0 |
0 |
0.068 |
10 |
14 |
|
[H4B]A:760 |
15 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
25 |
6 |
20050 |
119.3 |
-0.0 |
0.003 |
0 |
0 |
0 |
0.000 |
15 |
|
[H4B]B:760 |
14 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20193 |
119.0 |
-0.1 |
0.006 |
0 |
0 |
0 |
0.000 |
Average: |
119.1 |
-0.0 |
0.004 |
0 |
0 |
0 |
0.001 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20050 |
115.0 |
-1.3 |
0.504 |
1 |
0 |
0 |
0.016 |
12 |
17 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20193 |
113.3 |
-1.3 |
0.496 |
1 |
0 |
0 |
0.016 |
13 |
18 |
|
[H4B]A:760 |
4 |
1 |
399 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
829 |
41.2 |
-1.3 |
0.032 |
1 |
0 |
0 |
0.032 |
19 |
|
[H4B]B:760 |
4 |
1 |
401 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
834 |
41.1 |
-1.4 |
0.031 |
1 |
0 |
0 |
0.032 |
Average: |
41.2 |
-1.3 |
0.032 |
1 |
0 |
0 |
0.032 |
14 |
20 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
6 |
1 |
829 |
35.0 |
-1.0 |
0.764 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20193 |
34.6 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.267 |
22 |
|
[ZN]A:1717 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20050 |
34.5 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.267 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.267 |
16 |
23 |
|
[ACT]B:860 |
3 |
1 |
184 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
6 |
1 |
834 |
33.9 |
-0.9 |
0.765 |
0 |
0 |
0 |
0.008 |
17 |
24 |
|
[2IK]B:800 |
2 |
1 |
639 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
20193 |
32.4 |
-1.0 |
0.205 |
0 |
0 |
0 |
0.018 |
25 |
|
[2IK]A:800 |
2 |
1 |
642 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20050 |
29.8 |
-1.0 |
0.206 |
0 |
0 |
0 |
0.018 |
Average: |
31.1 |
-1.0 |
0.206 |
0 |
0 |
0 |
0.018 |
18 |
26 |
|
[2IK]B:800 |
2 |
1 |
639 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
2 |
1 |
401 |
12.9 |
0.4 |
0.151 |
0 |
0 |
0 |
0.000 |
27 |
|
[2IK]A:800 |
1 |
1 |
642 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
2 |
1 |
399 |
10.4 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
11.7 |
0.4 |
0.484 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
B |
1 |
1 |
20050 |
x |
B |
x-1/2,-y+1/2,-z+1 |
3_456 |
1 |
1 |
20050 |
9.5 |
0.5 |
0.902 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
2 |
1 |
20193 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
20193 |
3.6 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
B |
1 |
1 |
20050 |
◊ |
A |
-x,y-1/2,-z+1/2 |
4_545 |
1 |
1 |
20193 |
1.5 |
-0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
A |
1 |
1 |
20193 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20050 |
0.2 |
0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
|