## |
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 |
290 |
72 |
19944 |
◊ |
A |
x,y,z |
1_555 |
293 |
76 |
19797 |
2752.7 |
-36.4 |
0.015 |
35 |
10 |
0 |
0.509 |
2 |
2 |
|
A |
91 |
26 |
19797 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
89 |
29 |
19944 |
737.6 |
-1.7 |
0.697 |
7 |
7 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:500 |
42 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
19944 |
522.9 |
-17.9 |
0.271 |
0 |
0 |
0 |
0.341 |
4 |
|
[HEM]A:500 |
42 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
76 |
23 |
19797 |
519.7 |
-17.9 |
0.258 |
0 |
0 |
0 |
0.341 |
Average: |
521.3 |
-17.9 |
0.265 |
0 |
0 |
0 |
0.341 |
4 |
5 |
|
A |
46 |
15 |
19797 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
14 |
19797 |
367.6 |
-3.6 |
0.364 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
[JRR]A:800 |
25 |
1 |
657 |
f |
A |
x,y,z |
1_555 |
59 |
23 |
19797 |
360.6 |
5.7 |
0.455 |
1 |
0 |
0 |
0.000 |
7 |
|
[JRR]B:800 |
25 |
1 |
656 |
f |
B |
x,y,z |
1_555 |
57 |
23 |
19944 |
355.9 |
5.8 |
0.432 |
2 |
0 |
0 |
0.000 |
Average: |
358.2 |
5.8 |
0.443 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
29 |
10 |
19944 |
x |
B |
x-1,y,z |
1_455 |
24 |
8 |
19944 |
234.7 |
-0.5 |
0.571 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]A:600 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
19797 |
166.9 |
2.5 |
0.537 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]B:600 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
19944 |
165.8 |
2.3 |
0.531 |
2 |
0 |
0 |
0.000 |
Average: |
166.3 |
2.4 |
0.534 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[JRR]A:800 |
19 |
1 |
657 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
33 |
1 |
821 |
161.3 |
-4.0 |
0.171 |
4 |
0 |
0 |
0.111 |
12 |
|
[JRR]B:800 |
18 |
1 |
656 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
825 |
159.6 |
-4.1 |
0.156 |
4 |
0 |
0 |
0.111 |
Average: |
160.5 |
-4.0 |
0.163 |
4 |
0 |
0 |
0.111 |
9 |
13 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
19797 |
111.9 |
-1.4 |
0.496 |
2 |
0 |
0 |
0.021 |
10 |
14 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
19944 |
110.4 |
-1.3 |
0.485 |
2 |
0 |
0 |
0.021 |
11 |
15 |
|
[H4B]A:600 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
19944 |
109.4 |
-0.2 |
0.260 |
1 |
0 |
0 |
0.013 |
16 |
|
[H4B]B:600 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19797 |
108.3 |
-0.2 |
0.270 |
1 |
0 |
0 |
0.013 |
Average: |
108.9 |
-0.2 |
0.265 |
1 |
0 |
0 |
0.013 |
12 |
17 |
|
[CAD]B:950 |
3 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
19944 |
88.8 |
-0.6 |
0.137 |
0 |
0 |
0 |
0.006 |
13 |
18 |
|
[CAD]A:950 |
3 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19797 |
85.2 |
-1.7 |
0.170 |
0 |
0 |
0 |
0.016 |
14 |
19 |
|
A |
13 |
6 |
19797 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
209 |
77.0 |
2.5 |
0.421 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]B:880 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
19944 |
77.0 |
0.4 |
0.647 |
3 |
0 |
0 |
0.009 |
16 |
21 |
|
[GOL]A:880 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19797 |
74.0 |
-0.3 |
0.555 |
3 |
0 |
0 |
0.015 |
17 |
22 |
|
[CAD]B:950 |
3 |
1 |
210 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
2 |
19944 |
73.9 |
0.9 |
0.317 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
8 |
4 |
19797 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
19944 |
64.1 |
-0.6 |
0.445 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[GOL]A:880 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
19944 |
59.1 |
-0.2 |
0.588 |
0 |
0 |
0 |
0.002 |
20 |
25 |
|
[GOL]B:880 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
19797 |
55.4 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[H4B]B:600 |
5 |
1 |
396 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
825 |
40.7 |
-1.2 |
0.448 |
1 |
0 |
0 |
0.035 |
27 |
|
[H4B]A:600 |
5 |
1 |
398 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
821 |
40.3 |
-1.1 |
0.446 |
2 |
0 |
0 |
0.035 |
Average: |
40.5 |
-1.2 |
0.447 |
2 |
0 |
0 |
0.035 |
22 |
28 |
|
B |
3 |
2 |
19944 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
19797 |
40.3 |
1.2 |
0.909 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[JRR]B:800 |
9 |
1 |
656 |
f |
[GOL]B:880 |
x,y,z |
1_555 |
4 |
1 |
220 |
40.0 |
0.7 |
0.252 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[JRR]A:800 |
8 |
1 |
657 |
f |
[GOL]A:880 |
x,y,z |
1_555 |
4 |
1 |
218 |
38.9 |
1.0 |
0.336 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[GOL]B:880 |
4 |
1 |
220 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
7 |
1 |
396 |
38.3 |
0.1 |
0.291 |
4 |
0 |
0 |
0.016 |
26 |
32 |
|
[GOL]A:880 |
5 |
1 |
218 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
6 |
1 |
398 |
36.1 |
-0.2 |
0.270 |
2 |
0 |
0 |
0.010 |
27 |
33 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19944 |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.279 |
34 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19797 |
33.9 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.279 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.279 |
28 |
35 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
825 |
34.4 |
-1.0 |
0.752 |
0 |
0 |
0 |
0.009 |
29 |
36 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
821 |
33.3 |
-1.0 |
0.754 |
0 |
0 |
0 |
0.010 |
30 |
37 |
|
[JRR]B:800 |
1 |
1 |
656 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19797 |
29.1 |
0.5 |
0.414 |
0 |
0 |
0 |
0.000 |
38 |
|
[JRR]A:800 |
2 |
1 |
657 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19944 |
27.0 |
0.5 |
0.364 |
0 |
0 |
0 |
0.000 |
Average: |
28.0 |
0.5 |
0.389 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[JRR]A:800 |
3 |
1 |
657 |
f |
[H4B]A:600 |
x,y,z |
1_555 |
3 |
1 |
398 |
26.9 |
0.2 |
0.237 |
1 |
0 |
0 |
0.005 |
40 |
|
[JRR]B:800 |
3 |
1 |
656 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
3 |
1 |
396 |
26.7 |
0.2 |
0.216 |
1 |
0 |
0 |
0.005 |
Average: |
26.8 |
0.2 |
0.226 |
1 |
0 |
0 |
0.005 |
32 |
41 |
|
B |
2 |
1 |
19944 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19797 |
23.7 |
-0.4 |
0.234 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
A |
1 |
1 |
19797 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19797 |
4.3 |
0.1 |
0.787 |
0 |
0 |
0 |
0.000 |
|