| ## |
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 |
292 |
73 |
20104 |
◊ |
A |
x,y,z |
1_555 |
292 |
75 |
19963 |
2856.2 |
-35.5 |
0.023 |
37 |
10 |
0 |
0.424 |
| 2 |
2 |
|
A |
93 |
29 |
19963 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
89 |
29 |
20104 |
744.2 |
-2.6 |
0.654 |
7 |
9 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:501 |
43 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
77 |
24 |
19963 |
512.4 |
-17.4 |
0.326 |
1 |
0 |
0 |
0.283 |
4 |
|
[HEM]B:501 |
43 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
20104 |
509.2 |
-17.3 |
0.331 |
1 |
0 |
0 |
0.283 |
| Average: |
510.8 |
-17.4 |
0.328 |
1 |
0 |
0 |
0.283 |
| 4 |
5 |
|
A |
49 |
16 |
19963 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
15 |
19963 |
403.1 |
-3.0 |
0.461 |
1 |
1 |
0 |
0.000 |
| 5 |
6 |
|
[1EV]B:503 |
28 |
1 |
665 |
f |
B |
x,y,z |
1_555 |
47 |
19 |
20104 |
323.4 |
-1.8 |
0.558 |
3 |
0 |
0 |
0.052 |
7 |
|
[1EV]A:503 |
27 |
1 |
674 |
f |
A |
x,y,z |
1_555 |
43 |
19 |
19963 |
309.2 |
-2.1 |
0.511 |
3 |
0 |
0 |
0.052 |
| Average: |
316.3 |
-1.9 |
0.535 |
3 |
0 |
0 |
0.052 |
| 6 |
8 |
|
B |
32 |
11 |
20104 |
x |
B |
x-1,y,z |
1_455 |
24 |
7 |
20104 |
233.3 |
-1.5 |
0.429 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[H4B]B:502 |
17 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
20104 |
174.4 |
2.5 |
0.505 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:502 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
19963 |
170.7 |
2.5 |
0.531 |
2 |
0 |
0 |
0.000 |
| Average: |
172.6 |
2.5 |
0.518 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[1EV]B:503 |
18 |
1 |
665 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
34 |
1 |
825 |
153.1 |
-6.1 |
0.619 |
1 |
0 |
0 |
0.098 |
12 |
|
[1EV]A:503 |
16 |
1 |
674 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
32 |
1 |
823 |
152.6 |
-5.8 |
0.580 |
0 |
0 |
0 |
0.098 |
| Average: |
152.9 |
-6.0 |
0.600 |
1 |
0 |
0 |
0.098 |
| 9 |
13 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
19963 |
113.9 |
-1.4 |
0.496 |
2 |
0 |
0 |
0.018 |
| 10 |
14 |
|
[ACT]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20104 |
112.3 |
-1.4 |
0.498 |
2 |
0 |
0 |
0.018 |
| 11 |
15 |
|
[H4B]A:502 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20104 |
111.6 |
-0.2 |
0.278 |
1 |
0 |
0 |
0.010 |
16 |
|
[H4B]B:502 |
13 |
1 |
394 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19963 |
109.4 |
-0.2 |
0.273 |
1 |
0 |
0 |
0.010 |
| Average: |
110.5 |
-0.2 |
0.276 |
1 |
0 |
0 |
0.010 |
| 12 |
17 |
|
[CAD]A:507 |
3 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19963 |
96.0 |
-0.1 |
0.167 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[CAD]B:507 |
3 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20104 |
88.8 |
-0.3 |
0.156 |
0 |
0 |
0 |
0.003 |
| 14 |
19 |
|
[GOL]B:506 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
20104 |
84.9 |
0.2 |
0.616 |
3 |
0 |
0 |
0.014 |
20 |
|
[GOL]A:506 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
19963 |
83.6 |
0.2 |
0.629 |
2 |
0 |
0 |
0.014 |
| Average: |
84.2 |
0.2 |
0.623 |
3 |
0 |
0 |
0.014 |
| 15 |
21 |
|
[ACT]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
20104 |
80.3 |
1.4 |
0.867 |
4 |
0 |
0 |
0.003 |
| 16 |
22 |
|
[ACT]A:505 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19963 |
79.8 |
1.4 |
0.865 |
3 |
0 |
0 |
0.000 |
| 17 |
23 |
|
A |
14 |
7 |
19963 |
◊ |
[CAD]A:507 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
209 |
75.9 |
1.2 |
0.409 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[CAD]B:507 |
3 |
1 |
209 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20104 |
71.5 |
0.8 |
0.348 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[GOL]A:506 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
20104 |
54.0 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
26 |
|
[GOL]B:506 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19963 |
53.8 |
-0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
| Average: |
53.9 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[ACT]A:505 |
4 |
1 |
182 |
f |
[1EV]A:503 |
x,y,z |
1_555 |
11 |
1 |
674 |
51.4 |
-0.5 |
0.633 |
0 |
0 |
0 |
0.004 |
| 21 |
28 |
|
A |
7 |
4 |
19963 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20104 |
51.1 |
-0.6 |
0.421 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[ACT]B:505 |
4 |
1 |
184 |
f |
[1EV]B:503 |
x,y,z |
1_555 |
10 |
1 |
665 |
49.4 |
-0.6 |
0.641 |
0 |
0 |
0 |
0.004 |
| 23 |
30 |
|
[H4B]B:502 |
4 |
1 |
394 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
825 |
41.3 |
-1.2 |
0.459 |
1 |
0 |
0 |
0.026 |
31 |
|
[H4B]A:502 |
4 |
1 |
395 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
823 |
40.7 |
-1.2 |
0.463 |
1 |
0 |
0 |
0.026 |
| Average: |
41.0 |
-1.2 |
0.461 |
1 |
0 |
0 |
0.026 |
| 24 |
32 |
|
[GOL]A:506 |
5 |
1 |
219 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
6 |
1 |
395 |
39.7 |
0.0 |
0.286 |
4 |
0 |
0 |
0.014 |
| 25 |
33 |
|
[GOL]B:506 |
4 |
1 |
218 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
7 |
1 |
394 |
37.2 |
0.1 |
0.279 |
4 |
0 |
0 |
0.013 |
| 26 |
34 |
|
[ZN]A:508 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19963 |
34.7 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.244 |
35 |
|
[ZN]A:508 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20104 |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.244 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.244 |
| 27 |
36 |
|
[GOL]A:506 |
4 |
1 |
219 |
f |
[1EV]A:503 |
x,y,z |
1_555 |
7 |
1 |
674 |
34.0 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[ACT]B:504 |
3 |
1 |
183 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
825 |
33.2 |
-0.9 |
0.809 |
0 |
0 |
0 |
0.007 |
| 29 |
38 |
|
[1EV]A:503 |
6 |
1 |
674 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20104 |
32.1 |
-0.4 |
0.305 |
0 |
0 |
0 |
0.010 |
39 |
|
[1EV]B:503 |
4 |
1 |
665 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19963 |
32.0 |
-0.9 |
0.256 |
0 |
0 |
0 |
0.010 |
| Average: |
32.0 |
-0.6 |
0.280 |
0 |
0 |
0 |
0.010 |
| 30 |
40 |
|
[GOL]B:506 |
4 |
1 |
218 |
f |
[1EV]B:503 |
x,y,z |
1_555 |
5 |
1 |
665 |
31.6 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[ACT]A:504 |
3 |
1 |
183 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
823 |
31.1 |
-0.9 |
0.818 |
0 |
0 |
0 |
0.007 |
| 32 |
42 |
|
B |
7 |
4 |
20104 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
19963 |
24.0 |
-0.4 |
0.402 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[CAD]B:507 |
1 |
1 |
209 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
19963 |
21.5 |
1.1 |
0.545 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
B |
2 |
2 |
20104 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
19963 |
19.2 |
-0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
[ACT]B:505 |
1 |
1 |
184 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
1 |
1 |
825 |
17.3 |
-1.2 |
0.241 |
0 |
0 |
0 |
0.009 |
| 36 |
46 |
|
A |
3 |
1 |
19963 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
19963 |
17.2 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
| 37 |
47 |
|
[ACT]A:505 |
1 |
1 |
182 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
1 |
1 |
823 |
15.1 |
-1.0 |
0.341 |
0 |
0 |
0 |
0.008 |
| 38 |
48 |
|
[1EV]B:503 |
2 |
1 |
665 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
3 |
1 |
394 |
13.8 |
0.0 |
0.360 |
0 |
0 |
0 |
0.000 |
49 |
|
[1EV]A:503 |
3 |
1 |
674 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
3 |
1 |
395 |
12.6 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
| Average: |
13.2 |
0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
| 39 |
50 |
|
[GOL]B:506 |
1 |
1 |
218 |
f |
[ACT]B:505 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|