## |
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 |
287 |
72 |
19938 |
◊ |
A |
x,y,z |
1_555 |
293 |
75 |
19823 |
2731.4 |
-37.4 |
0.011 |
32 |
9 |
0 |
0.509 |
2 |
2 |
|
A |
88 |
27 |
19823 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
88 |
27 |
19938 |
723.2 |
-0.8 |
0.743 |
5 |
5 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:700 |
43 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
80 |
24 |
19823 |
511.0 |
-17.9 |
0.317 |
1 |
0 |
0 |
0.352 |
4 |
|
[HEM]B:700 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
79 |
25 |
19938 |
510.7 |
-17.8 |
0.315 |
1 |
0 |
0 |
0.352 |
Average: |
510.9 |
-17.8 |
0.316 |
1 |
0 |
0 |
0.352 |
4 |
5 |
|
A |
47 |
15 |
19823 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
15 |
19823 |
405.0 |
-2.8 |
0.472 |
2 |
1 |
0 |
0.000 |
5 |
6 |
|
[JI3]B:800 |
24 |
1 |
656 |
◊ |
B |
x,y,z |
1_555 |
43 |
18 |
19938 |
322.3 |
4.1 |
0.429 |
3 |
0 |
0 |
0.000 |
7 |
|
[JI3]A:800 |
24 |
1 |
655 |
◊ |
A |
x,y,z |
1_555 |
42 |
16 |
19823 |
318.9 |
4.1 |
0.431 |
4 |
0 |
0 |
0.000 |
Average: |
320.6 |
4.1 |
0.430 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
34 |
11 |
19938 |
x |
B |
x-1,y,z |
1_455 |
25 |
7 |
19938 |
255.6 |
-2.1 |
0.456 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:760 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
19938 |
177.6 |
2.5 |
0.510 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19823 |
175.0 |
2.5 |
0.499 |
2 |
0 |
0 |
0.000 |
Average: |
176.3 |
2.5 |
0.504 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[JI3]A:800 |
17 |
1 |
655 |
◊ |
[HEM]A:700 |
x,y,z |
1_555 |
35 |
1 |
821 |
161.0 |
0.5 |
0.723 |
1 |
0 |
0 |
0.000 |
12 |
|
[JI3]B:800 |
16 |
1 |
656 |
◊ |
[HEM]B:700 |
x,y,z |
1_555 |
34 |
1 |
820 |
160.8 |
0.6 |
0.721 |
1 |
0 |
0 |
0.000 |
Average: |
160.9 |
0.6 |
0.722 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[ACT]B:860 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
19938 |
113.4 |
-1.4 |
0.495 |
2 |
0 |
0 |
0.022 |
10 |
14 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19823 |
112.4 |
-1.4 |
0.482 |
2 |
0 |
0 |
0.022 |
11 |
15 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
19938 |
109.9 |
-0.2 |
0.257 |
1 |
0 |
0 |
0.012 |
16 |
|
[H4B]B:760 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19823 |
109.0 |
-0.2 |
0.259 |
1 |
0 |
0 |
0.012 |
Average: |
109.4 |
-0.2 |
0.258 |
1 |
0 |
0 |
0.012 |
12 |
17 |
|
[CAC]B:850 |
3 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
19938 |
93.7 |
0.7 |
0.281 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[CAC]A:850 |
3 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19823 |
87.7 |
-1.0 |
0.175 |
0 |
0 |
0 |
0.010 |
14 |
19 |
|
[GOL]B:880 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19938 |
83.2 |
0.2 |
0.625 |
3 |
0 |
0 |
0.011 |
15 |
20 |
|
[GOL]A:880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19823 |
82.5 |
0.2 |
0.631 |
3 |
0 |
0 |
0.011 |
16 |
21 |
|
[CAC]B:850 |
3 |
1 |
198 |
f |
B |
x-1,y,z |
1_455 |
12 |
3 |
19938 |
74.1 |
-0.2 |
0.281 |
0 |
0 |
0 |
0.002 |
17 |
22 |
|
A |
13 |
6 |
19823 |
◊ |
[CAC]A:850 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
199 |
64.6 |
1.8 |
0.419 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]B:880 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19823 |
56.5 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.002 |
19 |
24 |
|
[GOL]A:880 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
19938 |
55.0 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
A |
8 |
4 |
19823 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
19938 |
51.6 |
-0.5 |
0.441 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[H4B]A:760 |
5 |
1 |
398 |
f |
[HEM]A:700 |
x,y,z |
1_555 |
5 |
1 |
821 |
42.4 |
-1.3 |
0.411 |
1 |
0 |
0 |
0.034 |
27 |
|
[H4B]B:760 |
5 |
1 |
396 |
f |
[HEM]B:700 |
x,y,z |
1_555 |
5 |
1 |
820 |
42.0 |
-1.3 |
0.410 |
1 |
0 |
0 |
0.034 |
Average: |
42.2 |
-1.3 |
0.411 |
1 |
0 |
0 |
0.034 |
22 |
28 |
|
[JI3]A:800 |
5 |
1 |
655 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
19938 |
40.3 |
-2.3 |
0.150 |
0 |
0 |
0 |
0.040 |
29 |
|
[JI3]B:800 |
5 |
1 |
656 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
19823 |
39.8 |
-1.9 |
0.147 |
0 |
0 |
0 |
0.040 |
Average: |
40.1 |
-2.1 |
0.148 |
0 |
0 |
0 |
0.040 |
23 |
30 |
|
[GOL]A:880 |
6 |
1 |
219 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
7 |
1 |
398 |
39.8 |
0.1 |
0.279 |
5 |
0 |
0 |
0.020 |
24 |
31 |
|
[GOL]B:880 |
4 |
1 |
217 |
f |
[H4B]B:760 |
x,y,z |
1_555 |
6 |
1 |
396 |
38.1 |
-0.0 |
0.295 |
4 |
0 |
0 |
0.017 |
25 |
32 |
|
[GOL]A:880 |
4 |
1 |
219 |
◊ |
[JI3]A:800 |
x,y,z |
1_555 |
6 |
1 |
655 |
35.0 |
0.3 |
0.356 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19823 |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.281 |
34 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19938 |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.281 |
Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.281 |
27 |
35 |
|
[ACT]B:860 |
3 |
1 |
184 |
f |
[HEM]B:700 |
x,y,z |
1_555 |
5 |
1 |
820 |
34.7 |
-1.0 |
0.753 |
0 |
0 |
0 |
0.010 |
28 |
36 |
|
[ACT]A:860 |
2 |
1 |
183 |
f |
[HEM]A:700 |
x,y,z |
1_555 |
5 |
1 |
821 |
34.6 |
-1.0 |
0.693 |
0 |
0 |
0 |
0.010 |
29 |
37 |
|
[GOL]B:880 |
3 |
1 |
217 |
◊ |
[JI3]B:800 |
x,y,z |
1_555 |
6 |
1 |
656 |
33.0 |
0.2 |
0.340 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
B |
4 |
2 |
19938 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
19823 |
18.9 |
0.9 |
0.876 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[JI3]A:800 |
2 |
1 |
655 |
◊ |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
11.0 |
-0.0 |
0.256 |
0 |
0 |
0 |
0.002 |
40 |
|
[JI3]B:800 |
3 |
1 |
656 |
◊ |
[H4B]B:760 |
x,y,z |
1_555 |
2 |
1 |
396 |
10.4 |
-0.2 |
0.207 |
0 |
0 |
0 |
0.002 |
Average: |
10.7 |
-0.1 |
0.232 |
0 |
0 |
0 |
0.002 |
32 |
41 |
|
B |
4 |
1 |
19938 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19823 |
5.0 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
A |
1 |
1 |
19823 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19823 |
1.1 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[GOL]A:880 |
1 |
1 |
219 |
f |
[HEM]A:700 |
x,y,z |
1_555 |
1 |
1 |
821 |
0.9 |
-0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
|