## |
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 |
283 |
71 |
20111 |
◊ |
A |
x,y,z |
1_555 |
287 |
74 |
19894 |
2720.0 |
-36.9 |
0.016 |
34 |
9 |
0 |
0.530 |
2 |
2 |
|
A |
91 |
27 |
19894 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
91 |
27 |
20111 |
755.6 |
-2.5 |
0.676 |
6 |
8 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
42 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20111 |
510.6 |
-17.5 |
0.338 |
1 |
0 |
0 |
0.355 |
4 |
|
[HEM]A:500 |
42 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
76 |
24 |
19894 |
505.6 |
-17.4 |
0.325 |
1 |
0 |
0 |
0.355 |
Average: |
508.1 |
-17.4 |
0.331 |
1 |
0 |
0 |
0.355 |
4 |
5 |
|
A |
53 |
16 |
19894 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
51 |
16 |
19894 |
398.3 |
-3.4 |
0.467 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[JRS]B:800 |
26 |
1 |
639 |
◊ |
B |
x,y,z |
1_555 |
45 |
19 |
20111 |
321.5 |
4.5 |
0.269 |
5 |
0 |
0 |
0.000 |
7 |
|
[JRS]A:800 |
22 |
1 |
654 |
◊ |
A |
x,y,z |
1_555 |
45 |
20 |
19894 |
311.7 |
5.6 |
0.402 |
4 |
0 |
0 |
0.000 |
Average: |
316.6 |
5.1 |
0.336 |
5 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
30 |
10 |
20111 |
x |
B |
x-1,y,z |
1_455 |
25 |
8 |
20111 |
211.3 |
-1.0 |
0.517 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
20111 |
174.9 |
2.4 |
0.490 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19894 |
170.7 |
2.5 |
0.526 |
2 |
0 |
0 |
0.000 |
Average: |
172.8 |
2.4 |
0.508 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[JRS]A:800 |
17 |
1 |
654 |
◊ |
[HEM]A:500 |
x,y,z |
1_555 |
35 |
1 |
803 |
160.6 |
-0.2 |
0.438 |
0 |
0 |
0 |
0.002 |
9 |
12 |
|
[JRS]B:800 |
18 |
1 |
639 |
◊ |
[HEM]B:500 |
x,y,z |
1_555 |
37 |
1 |
814 |
157.3 |
-0.7 |
0.350 |
1 |
0 |
0 |
0.012 |
10 |
13 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
19894 |
114.5 |
-1.3 |
0.489 |
2 |
0 |
0 |
0.022 |
11 |
14 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20111 |
113.0 |
-1.4 |
0.483 |
2 |
0 |
0 |
0.023 |
12 |
15 |
|
[H4B]A:600 |
13 |
1 |
395 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
20111 |
110.3 |
-0.3 |
0.261 |
1 |
0 |
0 |
0.014 |
16 |
|
[H4B]B:600 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19894 |
109.2 |
-0.2 |
0.265 |
1 |
0 |
0 |
0.014 |
Average: |
109.7 |
-0.2 |
0.263 |
1 |
0 |
0 |
0.014 |
13 |
17 |
|
[CAD]B:950 |
3 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20111 |
92.1 |
-0.5 |
0.139 |
0 |
0 |
0 |
0.005 |
14 |
18 |
|
[CAD]A:950 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19894 |
86.1 |
-1.6 |
0.177 |
0 |
0 |
0 |
0.016 |
15 |
19 |
|
[GOL]B:880 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20111 |
84.8 |
0.3 |
0.643 |
3 |
0 |
0 |
0.022 |
20 |
|
[GOL]A:880 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19894 |
84.0 |
0.2 |
0.642 |
3 |
0 |
0 |
0.022 |
Average: |
84.4 |
0.2 |
0.643 |
3 |
0 |
0 |
0.022 |
16 |
21 |
|
A |
14 |
6 |
19894 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
208 |
78.6 |
2.5 |
0.424 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[CAD]B:950 |
3 |
1 |
209 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20111 |
74.7 |
1.1 |
0.341 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
8 |
4 |
19894 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20111 |
61.4 |
-0.6 |
0.424 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[GOL]B:880 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19894 |
55.7 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.002 |
25 |
|
[GOL]A:880 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20111 |
54.8 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.002 |
Average: |
55.2 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.002 |
20 |
26 |
|
[H4B]B:600 |
5 |
1 |
396 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
814 |
44.5 |
-1.3 |
0.407 |
2 |
0 |
0 |
0.037 |
27 |
|
[H4B]A:600 |
5 |
1 |
395 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
6 |
1 |
803 |
43.8 |
-1.1 |
0.474 |
1 |
0 |
0 |
0.037 |
Average: |
44.1 |
-1.2 |
0.440 |
2 |
0 |
0 |
0.037 |
21 |
28 |
|
[GOL]A:880 |
4 |
1 |
218 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
7 |
1 |
395 |
40.3 |
0.2 |
0.289 |
3 |
0 |
0 |
0.027 |
29 |
|
[GOL]B:880 |
4 |
1 |
219 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
6 |
1 |
396 |
39.3 |
0.3 |
0.303 |
4 |
0 |
0 |
0.027 |
Average: |
39.8 |
0.2 |
0.296 |
4 |
0 |
0 |
0.027 |
22 |
30 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19894 |
34.6 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.287 |
31 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20111 |
34.5 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.287 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.287 |
23 |
32 |
|
[ACT]A:860 |
3 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
803 |
34.5 |
-1.1 |
0.752 |
0 |
0 |
0 |
0.011 |
24 |
33 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
814 |
33.7 |
-1.0 |
0.754 |
0 |
0 |
0 |
0.010 |
25 |
34 |
|
[JRS]A:800 |
7 |
1 |
654 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
20111 |
33.6 |
-0.9 |
0.080 |
0 |
0 |
0 |
0.009 |
26 |
35 |
|
[JRS]B:800 |
4 |
1 |
639 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
19894 |
33.6 |
-0.4 |
0.163 |
0 |
0 |
0 |
0.004 |
27 |
36 |
|
[JRS]A:800 |
6 |
1 |
654 |
◊ |
[GOL]A:880 |
x,y,z |
1_555 |
4 |
1 |
218 |
33.1 |
0.1 |
0.259 |
0 |
0 |
0 |
0.000 |
37 |
|
[JRS]B:800 |
4 |
1 |
639 |
◊ |
[GOL]B:880 |
x,y,z |
1_555 |
5 |
1 |
219 |
32.6 |
0.5 |
0.358 |
0 |
0 |
0 |
0.000 |
Average: |
32.9 |
0.3 |
0.308 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
B |
5 |
1 |
20111 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19894 |
16.8 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[JRS]B:800 |
3 |
1 |
639 |
◊ |
[H4B]B:600 |
x,y,z |
1_555 |
2 |
1 |
396 |
11.3 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[JRS]A:800 |
2 |
1 |
654 |
◊ |
[H4B]A:600 |
x,y,z |
1_555 |
2 |
1 |
395 |
8.7 |
0.1 |
0.278 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
B |
2 |
1 |
20111 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19894 |
6.7 |
-0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[GOL]A:880 |
1 |
1 |
218 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
803 |
3.2 |
-0.2 |
0.457 |
0 |
0 |
0 |
0.002 |
43 |
|
[GOL]B:880 |
1 |
1 |
219 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
1 |
1 |
814 |
1.4 |
-0.1 |
0.656 |
0 |
0 |
0 |
0.002 |
Average: |
2.3 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.002 |
|