## |
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 |
289 |
73 |
19702 |
◊ |
A |
x,y,z |
1_555 |
284 |
77 |
19618 |
2743.1 |
-35.8 |
0.020 |
35 |
13 |
0 |
0.485 |
2 |
2 |
|
A |
90 |
27 |
19618 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
86 |
27 |
19702 |
738.4 |
0.0 |
0.787 |
9 |
6 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
77 |
23 |
19618 |
525.6 |
-18.4 |
0.272 |
1 |
0 |
0 |
0.339 |
4 |
|
[HEM]B:500 |
43 |
1 |
807 |
f |
B |
x,y,z |
1_555 |
77 |
24 |
19702 |
515.0 |
-18.0 |
0.291 |
1 |
0 |
0 |
0.339 |
Average: |
520.3 |
-18.2 |
0.282 |
1 |
0 |
0 |
0.339 |
4 |
5 |
|
A |
52 |
16 |
19618 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
54 |
15 |
19618 |
418.0 |
-2.8 |
0.501 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[DP3]B:794 |
17 |
1 |
478 |
f |
B |
x,y,z |
1_555 |
39 |
18 |
19702 |
247.1 |
1.8 |
0.333 |
3 |
0 |
0 |
0.000 |
7 |
|
[DP3]A:793 |
16 |
1 |
489 |
f |
A |
x,y,z |
1_555 |
35 |
15 |
19618 |
235.6 |
1.4 |
0.278 |
3 |
0 |
0 |
0.000 |
Average: |
241.4 |
1.6 |
0.306 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
29 |
11 |
19702 |
x |
B |
x-1,y,z |
1_455 |
23 |
6 |
19702 |
225.3 |
-2.3 |
0.396 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:761 |
17 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
19702 |
177.5 |
2.4 |
0.529 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
19618 |
172.0 |
2.4 |
0.534 |
2 |
0 |
0 |
0.000 |
Average: |
174.8 |
2.4 |
0.531 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[DP3]B:794 |
15 |
1 |
478 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
807 |
137.9 |
-3.0 |
0.291 |
0 |
0 |
0 |
0.060 |
12 |
|
[DP3]A:793 |
15 |
1 |
489 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
31 |
1 |
814 |
132.1 |
-3.1 |
0.231 |
1 |
0 |
0 |
0.060 |
Average: |
135.0 |
-3.1 |
0.261 |
1 |
0 |
0 |
0.060 |
9 |
13 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19618 |
114.2 |
-1.3 |
0.486 |
2 |
0 |
0 |
0.020 |
10 |
14 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
19702 |
111.3 |
-1.4 |
0.509 |
2 |
0 |
0 |
0.021 |
11 |
15 |
|
[H4B]A:760 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
19702 |
109.9 |
-0.1 |
0.279 |
1 |
0 |
0 |
0.011 |
16 |
|
[H4B]B:761 |
13 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19618 |
105.6 |
-0.2 |
0.274 |
1 |
0 |
0 |
0.011 |
Average: |
107.7 |
-0.2 |
0.276 |
1 |
0 |
0 |
0.011 |
12 |
17 |
|
[CAC]A:850 |
3 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
19618 |
96.2 |
1.0 |
0.295 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[CAC]B:852 |
3 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
19702 |
89.8 |
0.4 |
0.325 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[GOL]A:880 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
19618 |
83.8 |
-0.1 |
0.579 |
1 |
0 |
0 |
0.005 |
15 |
20 |
|
[GOL]B:882 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19702 |
81.8 |
0.4 |
0.656 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[CAC]B:852 |
3 |
1 |
198 |
f |
B |
x-1,y,z |
1_455 |
13 |
4 |
19702 |
79.9 |
-0.1 |
0.291 |
0 |
0 |
0 |
0.001 |
17 |
22 |
|
[GOL]B:882 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
17 |
3 |
19618 |
66.8 |
-0.3 |
0.543 |
1 |
0 |
0 |
0.007 |
18 |
23 |
|
A |
13 |
6 |
19618 |
f |
[CAC]A:850 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
199 |
58.5 |
-0.6 |
0.411 |
0 |
0 |
0 |
0.005 |
19 |
24 |
|
[GOL]A:880 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
19702 |
55.9 |
-0.6 |
0.469 |
0 |
0 |
0 |
0.005 |
20 |
25 |
|
B |
7 |
4 |
19702 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
19618 |
48.0 |
-1.2 |
0.233 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
A |
6 |
3 |
19618 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
19702 |
43.3 |
-0.4 |
0.461 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[GOL]B:882 |
5 |
1 |
219 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
6 |
1 |
397 |
40.9 |
-0.1 |
0.269 |
2 |
0 |
0 |
0.009 |
23 |
28 |
|
[H4B]B:761 |
4 |
1 |
397 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
807 |
40.6 |
-1.3 |
0.449 |
2 |
0 |
0 |
0.041 |
29 |
|
[H4B]A:760 |
3 |
1 |
398 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
814 |
38.8 |
-1.5 |
0.430 |
2 |
0 |
0 |
0.041 |
Average: |
39.7 |
-1.4 |
0.439 |
2 |
0 |
0 |
0.041 |
24 |
30 |
|
[GOL]A:880 |
4 |
1 |
216 |
f |
[DP3]A:793 |
x,y,z |
1_555 |
4 |
1 |
489 |
38.3 |
1.0 |
0.515 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[GOL]A:880 |
4 |
1 |
216 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
7 |
1 |
398 |
38.2 |
0.1 |
0.286 |
4 |
0 |
0 |
0.015 |
26 |
32 |
|
[HEM]A:500 |
5 |
1 |
814 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
1 |
1 |
183 |
35.2 |
-1.1 |
0.492 |
0 |
0 |
0 |
0.010 |
27 |
33 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19618 |
34.5 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.270 |
34 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19702 |
33.9 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.270 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.270 |
28 |
35 |
|
[HEM]B:500 |
5 |
1 |
807 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
32.0 |
-0.7 |
0.814 |
0 |
0 |
0 |
0.007 |
29 |
36 |
|
[GOL]B:882 |
3 |
1 |
219 |
f |
[DP3]B:794 |
x,y,z |
1_555 |
2 |
1 |
478 |
24.4 |
0.5 |
0.494 |
1 |
0 |
0 |
0.000 |
30 |
37 |
|
A |
3 |
1 |
19618 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
3 |
19618 |
21.1 |
0.3 |
0.738 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[DP3]B:794 |
2 |
1 |
478 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
3 |
1 |
397 |
16.2 |
0.1 |
0.233 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[DP3]A:793 |
3 |
1 |
489 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
3 |
1 |
398 |
15.7 |
-0.1 |
0.194 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[DP3]A:793 |
2 |
1 |
489 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19702 |
13.7 |
0.1 |
0.406 |
0 |
0 |
0 |
0.000 |
41 |
|
[DP3]B:794 |
1 |
1 |
478 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19618 |
4.7 |
-0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
Average: |
9.2 |
0.0 |
0.425 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
B |
1 |
1 |
19702 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
19618 |
2.3 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
|