| ## |
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 |
281 |
70 |
19788 |
◊ |
A |
x,y,z |
1_555 |
280 |
71 |
19671 |
2681.6 |
-38.1 |
0.012 |
33 |
9 |
0 |
0.524 |
| 2 |
2 |
|
A |
87 |
27 |
19671 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
88 |
28 |
19788 |
731.8 |
-0.7 |
0.780 |
7 |
8 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:500 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
76 |
24 |
19671 |
513.3 |
-17.2 |
0.307 |
0 |
0 |
0 |
0.335 |
4 |
|
[HEM]B:500 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
19788 |
512.8 |
-17.4 |
0.300 |
0 |
0 |
0 |
0.335 |
| Average: |
513.1 |
-17.3 |
0.304 |
0 |
0 |
0 |
0.335 |
| 4 |
5 |
|
A |
47 |
16 |
19671 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
15 |
19671 |
392.8 |
-3.0 |
0.445 |
0 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[8CX]A:800 |
26 |
1 |
660 |
f |
A |
x,y,z |
1_555 |
55 |
22 |
19671 |
358.4 |
6.2 |
0.447 |
1 |
0 |
0 |
0.000 |
7 |
|
[8CX]B:800 |
26 |
1 |
665 |
f |
B |
x,y,z |
1_555 |
54 |
21 |
19788 |
352.3 |
5.8 |
0.395 |
1 |
0 |
0 |
0.000 |
| Average: |
355.4 |
6.0 |
0.421 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
30 |
10 |
19788 |
x |
B |
x-1,y,z |
1_455 |
23 |
8 |
19788 |
236.8 |
-1.9 |
0.318 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[8CX]A:800 |
20 |
1 |
660 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
34 |
1 |
820 |
166.7 |
-4.2 |
0.133 |
4 |
0 |
0 |
0.120 |
10 |
|
[8CX]B:800 |
19 |
1 |
665 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
30 |
1 |
821 |
165.9 |
-4.2 |
0.138 |
5 |
0 |
0 |
0.120 |
| Average: |
166.3 |
-4.2 |
0.136 |
5 |
0 |
0 |
0.120 |
| 8 |
11 |
|
[H4B]B:600 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
19788 |
166.7 |
2.4 |
0.546 |
2 |
0 |
0 |
0.000 |
12 |
|
[H4B]A:600 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19671 |
164.7 |
2.4 |
0.530 |
2 |
0 |
0 |
0.000 |
| Average: |
165.7 |
2.4 |
0.538 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19671 |
112.7 |
-1.4 |
0.494 |
2 |
0 |
0 |
0.022 |
| 10 |
14 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
19788 |
111.7 |
-1.3 |
0.504 |
2 |
0 |
0 |
0.022 |
| 11 |
15 |
|
[H4B]A:600 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
19788 |
109.2 |
-0.2 |
0.278 |
1 |
0 |
0 |
0.013 |
16 |
|
[H4B]B:600 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19671 |
108.5 |
-0.2 |
0.276 |
1 |
0 |
0 |
0.013 |
| Average: |
108.9 |
-0.2 |
0.277 |
1 |
0 |
0 |
0.013 |
| 12 |
17 |
|
[CAD]B:950 |
3 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19788 |
89.9 |
-0.4 |
0.155 |
0 |
0 |
0 |
0.004 |
| 13 |
18 |
|
[CAD]A:950 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19671 |
88.0 |
-1.5 |
0.132 |
0 |
0 |
0 |
0.014 |
| 14 |
19 |
|
[GOL]B:880 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
19788 |
78.8 |
0.3 |
0.663 |
3 |
0 |
0 |
0.010 |
| 15 |
20 |
|
A |
14 |
6 |
19671 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
208 |
77.5 |
3.0 |
0.416 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[CAD]B:950 |
3 |
1 |
209 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
19788 |
76.6 |
0.8 |
0.324 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[GOL]A:880 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19671 |
74.5 |
-0.2 |
0.594 |
3 |
0 |
0 |
0.015 |
| 18 |
23 |
|
A |
8 |
4 |
19671 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
19788 |
61.9 |
-0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[GOL]A:880 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
19788 |
58.5 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[GOL]B:880 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
19671 |
55.3 |
-0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[H4B]B:600 |
5 |
1 |
398 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
821 |
40.2 |
-1.2 |
0.433 |
1 |
0 |
0 |
0.032 |
27 |
|
[H4B]A:600 |
5 |
1 |
397 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
39.4 |
-1.2 |
0.438 |
1 |
0 |
0 |
0.032 |
| Average: |
39.8 |
-1.2 |
0.436 |
1 |
0 |
0 |
0.032 |
| 22 |
28 |
|
[8CX]B:800 |
10 |
1 |
665 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
4 |
1 |
221 |
40.0 |
0.7 |
0.218 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[GOL]B:880 |
5 |
1 |
221 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
398 |
38.9 |
0.1 |
0.285 |
4 |
0 |
0 |
0.016 |
| 24 |
30 |
|
[8CX]A:800 |
8 |
1 |
660 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
4 |
1 |
217 |
38.8 |
1.0 |
0.320 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[GOL]A:880 |
4 |
1 |
217 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
6 |
1 |
397 |
37.3 |
-0.3 |
0.276 |
2 |
0 |
0 |
0.011 |
| 26 |
32 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
34.5 |
-1.1 |
0.755 |
0 |
0 |
0 |
0.010 |
| 27 |
33 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19788 |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.282 |
34 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19671 |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.282 |
| Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.282 |
| 28 |
35 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
821 |
34.1 |
-1.0 |
0.754 |
0 |
0 |
0 |
0.010 |
| 29 |
36 |
|
[8CX]B:800 |
3 |
1 |
665 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
3 |
1 |
398 |
28.1 |
0.2 |
0.229 |
1 |
0 |
0 |
0.004 |
37 |
|
[8CX]A:800 |
3 |
1 |
660 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
3 |
1 |
397 |
27.6 |
0.2 |
0.228 |
1 |
0 |
0 |
0.004 |
| Average: |
27.8 |
0.2 |
0.229 |
1 |
0 |
0 |
0.004 |
| 30 |
38 |
|
[8CX]B:800 |
2 |
1 |
665 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19671 |
28.0 |
0.5 |
0.371 |
0 |
0 |
0 |
0.000 |
39 |
|
[8CX]A:800 |
2 |
1 |
660 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19788 |
26.1 |
0.4 |
0.378 |
0 |
0 |
0 |
0.000 |
| Average: |
27.0 |
0.5 |
0.374 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
B |
1 |
1 |
19788 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
19671 |
27.5 |
1.4 |
0.947 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
B |
5 |
1 |
19788 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19671 |
19.7 |
-0.4 |
0.248 |
0 |
0 |
0 |
0.000 |
|