## |
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 |
|
D |
85 |
21 |
6476 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
6317 |
752.4 |
-16.8 |
0.047 |
4 |
0 |
1 |
0.161 |
2 |
|
C |
76 |
22 |
6279 |
◊ |
B |
x,y,z |
1_555 |
80 |
20 |
6374 |
670.3 |
-15.6 |
0.036 |
5 |
0 |
1 |
0.161 |
Average: |
711.3 |
-16.2 |
0.041 |
5 |
0 |
1 |
0.161 |
2 |
3 |
|
[HEM]D:201 |
43 |
1 |
818 |
cf |
D |
x,y,z |
1_555 |
70 |
21 |
6476 |
536.3 |
-19.4 |
0.394 |
0 |
0 |
0 |
0.308 |
4 |
|
[HEM]B:201 |
43 |
1 |
797 |
cf |
B |
x,y,z |
1_555 |
66 |
20 |
6374 |
536.2 |
-18.5 |
0.427 |
0 |
0 |
0 |
0.308 |
5 |
|
[HEM]A:201 |
42 |
1 |
803 |
cf |
A |
x,y,z |
1_555 |
70 |
21 |
6317 |
527.9 |
-17.6 |
0.472 |
0 |
0 |
0 |
0.308 |
6 |
|
[HEM]C:201 |
43 |
1 |
792 |
cf |
C |
x,y,z |
1_555 |
67 |
20 |
6279 |
527.3 |
-18.6 |
0.390 |
0 |
0 |
0 |
0.308 |
Average: |
531.9 |
-18.5 |
0.421 |
0 |
0 |
0 |
0.308 |
3 |
7 |
|
B |
57 |
18 |
6374 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
6317 |
506.2 |
-4.7 |
0.405 |
1 |
4 |
1 |
0.083 |
8 |
|
D |
50 |
16 |
6476 |
◊ |
C |
x,y,z |
1_555 |
53 |
17 |
6279 |
493.6 |
-4.2 |
0.418 |
2 |
3 |
1 |
0.083 |
Average: |
499.9 |
-4.5 |
0.412 |
2 |
4 |
1 |
0.083 |
4 |
9 |
|
A |
28 |
7 |
6317 |
◊ |
D |
x-y+1,x+1,z+1/6 |
6_665 |
29 |
7 |
6476 |
235.8 |
0.8 |
0.756 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
26 |
6 |
6374 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
26 |
7 |
6279 |
211.9 |
0.6 |
0.734 |
1 |
0 |
0 |
0.000 |
Average: |
223.9 |
0.7 |
0.745 |
1 |
0 |
0 |
0.000 |
5 |
11 |
|
D |
29 |
7 |
6476 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
6374 |
222.2 |
-1.3 |
0.554 |
4 |
8 |
0 |
0.020 |
12 |
|
C |
25 |
7 |
6279 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
6317 |
218.9 |
0.0 |
0.718 |
4 |
7 |
0 |
0.020 |
Average: |
220.6 |
-0.6 |
0.636 |
4 |
8 |
0 |
0.020 |
6 |
13 |
|
A |
12 |
5 |
6317 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
5 |
6374 |
121.4 |
-0.1 |
0.618 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
7 |
3 |
6279 |
◊ |
D |
x-1,y-1,z |
1_445 |
10 |
4 |
6476 |
88.3 |
0.0 |
0.602 |
1 |
0 |
0 |
0.000 |
Average: |
104.9 |
-0.0 |
0.610 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
C |
14 |
4 |
6279 |
◊ |
D |
x,y-1,z |
1_545 |
19 |
4 |
6476 |
117.8 |
1.1 |
0.801 |
1 |
3 |
0 |
0.000 |
16 |
|
B |
16 |
4 |
6374 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
5 |
6317 |
111.8 |
0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
114.8 |
0.7 |
0.714 |
1 |
2 |
0 |
0.000 |
8 |
17 |
|
B |
14 |
5 |
6374 |
◊ |
A |
x-1,y-1,z |
1_445 |
11 |
5 |
6317 |
107.5 |
-0.4 |
0.507 |
0 |
1 |
0 |
0.000 |
18 |
|
D |
9 |
4 |
6476 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
5 |
6279 |
88.0 |
-0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
Average: |
97.8 |
-0.3 |
0.508 |
0 |
1 |
0 |
0.000 |
9 |
19 |
|
A |
15 |
7 |
6317 |
◊ |
C |
x-y,x+1,z+1/6 |
6_565 |
14 |
7 |
6279 |
96.5 |
1.3 |
0.810 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
B |
6 |
2 |
6374 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
3 |
6476 |
55.0 |
0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[HEM]A:201 |
8 |
1 |
803 |
◊ |
D |
x-y+1,x+1,z+1/6 |
6_665 |
4 |
2 |
6476 |
50.5 |
-0.2 |
0.910 |
1 |
0 |
0 |
0.003 |
22 |
|
B |
3 |
1 |
6374 |
◊ |
[HEM]C:201 |
x-y,x,z+1/6 |
6_555 |
6 |
1 |
792 |
36.9 |
0.3 |
0.918 |
2 |
0 |
0 |
0.003 |
Average: |
43.7 |
0.0 |
0.914 |
2 |
0 |
0 |
0.003 |
12 |
23 |
|
D |
5 |
2 |
6476 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
3 |
6374 |
42.2 |
0.6 |
0.787 |
1 |
0 |
0 |
0.000 |
24 |
|
B |
6 |
2 |
6374 |
◊ |
D |
x-1,y-1,z |
1_445 |
4 |
3 |
6476 |
30.6 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
36.4 |
0.3 |
0.695 |
1 |
0 |
0 |
0.000 |
13 |
25 |
|
[ZN]A:204 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6317 |
40.8 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.201 |
26 |
|
C |
5 |
2 |
6279 |
cf |
[ZN]D:203 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
38.9 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.201 |
Average: |
39.9 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.201 |
14 |
27 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6317 |
38.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
|
A |
3 |
1 |
6317 |
◊ |
[CA]C:202 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
85 |
18.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
28.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.022 |
15 |
29 |
|
[ZN]C:205 |
1 |
1 |
98 |
c |
C |
x,y,z |
1_555 |
5 |
2 |
6279 |
37.7 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.094 |
30 |
|
A |
4 |
2 |
6317 |
◊ |
[ZN]C:205 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
36.8 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
37.2 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.094 |
16 |
31 |
|
B |
6 |
3 |
6374 |
◊ |
[ZN]A:204 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
34.2 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.100 |
32 |
|
[ZN]D:203 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
6476 |
33.7 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.100 |
33 |
|
[ZN]C:208 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6279 |
24.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
30.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.100 |
17 |
34 |
|
[HEM]A:201 |
4 |
1 |
803 |
◊ |
[HEM]D:201 |
x-y+1,x+1,z+1/6 |
6_665 |
4 |
1 |
818 |
33.6 |
-3.1 |
0.465 |
0 |
0 |
0 |
0.013 |
35 |
|
[HEM]B:201 |
3 |
1 |
797 |
◊ |
[HEM]C:201 |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
792 |
28.5 |
-2.4 |
0.565 |
0 |
0 |
0 |
0.013 |
Average: |
31.1 |
-2.8 |
0.515 |
0 |
0 |
0 |
0.013 |
18 |
36 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6317 |
32.4 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.231 |
37 |
|
[ZN]D:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6476 |
31.2 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.231 |
38 |
|
[ZN]B:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6374 |
30.5 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.231 |
39 |
|
[ZN]C:204 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6279 |
28.9 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.231 |
Average: |
30.7 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.231 |
19 |
40 |
|
A |
4 |
2 |
6317 |
◊ |
D |
x-y,x,z+1/6 |
6_555 |
2 |
2 |
6476 |
31.7 |
1.6 |
0.933 |
1 |
1 |
0 |
0.000 |
41 |
|
B |
3 |
2 |
6374 |
◊ |
C |
x-y+1,x+1,z+1/6 |
6_665 |
4 |
2 |
6279 |
24.6 |
1.1 |
0.877 |
1 |
1 |
0 |
0.000 |
Average: |
28.1 |
1.4 |
0.905 |
1 |
1 |
0 |
0.000 |
20 |
42 |
|
[ZN]C:204 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
6374 |
30.3 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.234 |
43 |
|
[ZN]D:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
6317 |
27.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.234 |
44 |
|
[ZN]A:203 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
6476 |
27.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.234 |
45 |
|
[ZN]B:202 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6279 |
25.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
27.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.234 |
21 |
46 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
C |
x-y,x+1,z+1/6 |
6_565 |
3 |
1 |
6279 |
26.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.021 |
47 |
|
[CA]C:203 |
1 |
1 |
85 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
1 |
6476 |
23.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
25.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.021 |
22 |
48 |
|
[ZN]B:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6476 |
26.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.177 |
49 |
|
[ZN]D:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6374 |
25.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.177 |
50 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6279 |
25.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.177 |
51 |
|
[ZN]C:204 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6317 |
22.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.177 |
Average: |
25.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.177 |
23 |
52 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
[HEM]C:201 |
x,y,z |
1_555 |
3 |
1 |
792 |
24.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.040 |
24 |
53 |
|
[ZN]C:207 |
1 |
1 |
98 |
◊ |
[HEM]D:201 |
x,y-1,z |
1_545 |
3 |
1 |
818 |
24.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.024 |
25 |
54 |
|
[HEM]A:201 |
4 |
1 |
803 |
◊ |
[ZN]C:207 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
24.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.064 |
55 |
|
[ZN]C:206 |
1 |
1 |
98 |
◊ |
[HEM]D:201 |
x,y-1,z |
1_545 |
3 |
1 |
818 |
19.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.064 |
56 |
|
[ZN]C:208 |
1 |
1 |
98 |
◊ |
[HEM]D:201 |
x,y-1,z |
1_545 |
3 |
1 |
818 |
15.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.064 |
57 |
|
[HEM]A:201 |
3 |
1 |
803 |
◊ |
[ZN]C:206 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
10.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
17.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.064 |
26 |
58 |
|
[ZN]C:206 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6279 |
23.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.023 |
27 |
59 |
|
[HEM]B:201 |
2 |
1 |
797 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
6317 |
21.7 |
-1.1 |
0.410 |
0 |
0 |
0 |
0.004 |
60 |
|
C |
4 |
2 |
6279 |
◊ |
[HEM]D:201 |
x,y-1,z |
1_545 |
3 |
1 |
818 |
10.8 |
-0.5 |
0.725 |
0 |
0 |
0 |
0.004 |
Average: |
16.3 |
-0.8 |
0.568 |
0 |
0 |
0 |
0.004 |
28 |
61 |
|
[ZN]C:206 |
1 |
1 |
98 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
1 |
6476 |
19.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.063 |
62 |
|
A |
3 |
1 |
6317 |
◊ |
[ZN]C:207 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
18.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.063 |
63 |
|
A |
4 |
1 |
6317 |
◊ |
[ZN]C:208 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
18.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.063 |
64 |
|
[ZN]C:207 |
1 |
1 |
98 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
6476 |
12.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.063 |
65 |
|
[ZN]C:208 |
1 |
1 |
98 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
6476 |
9.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.063 |
66 |
|
A |
1 |
1 |
6317 |
◊ |
[ZN]C:206 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
4.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
13.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.063 |
29 |
67 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
6279 |
19.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
30 |
68 |
|
A |
1 |
1 |
6317 |
◊ |
[HEM]D:201 |
x-y+1,x+1,z+1/6 |
6_665 |
3 |
1 |
818 |
19.3 |
-0.6 |
0.724 |
0 |
0 |
0 |
0.002 |
69 |
|
[HEM]B:201 |
4 |
1 |
797 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
6279 |
11.2 |
-0.1 |
0.921 |
0 |
0 |
0 |
0.002 |
Average: |
15.3 |
-0.4 |
0.822 |
0 |
0 |
0 |
0.002 |
31 |
70 |
|
[HEM]B:201 |
3 |
1 |
797 |
◊ |
[CA]C:202 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
85 |
16.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
71 |
|
[CA]C:203 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6279 |
16.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.006 |
33 |
72 |
|
[ZN]C:208 |
1 |
1 |
98 |
f |
[ZN]C:206 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.032 |
34 |
73 |
|
[HEM]A:201 |
1 |
1 |
803 |
◊ |
[CA]C:203 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
85 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.007 |
74 |
|
[HEM]B:201 |
1 |
1 |
797 |
◊ |
[CA]A:202 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
7.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
35 |
75 |
|
[ZN]C:208 |
1 |
1 |
98 |
f |
[ZN]C:207 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
76 |
|
[ZN]C:207 |
1 |
1 |
98 |
f |
[ZN]C:206 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.025 |
37 |
77 |
|
[CA]C:203 |
1 |
1 |
85 |
◊ |
[HEM]D:201 |
x,y-1,z |
1_545 |
2 |
1 |
818 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.005 |
38 |
78 |
|
[HEM]A:201 |
2 |
1 |
803 |
◊ |
C |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
6279 |
10.0 |
-0.4 |
0.663 |
0 |
0 |
0 |
0.001 |
39 |
79 |
|
[HEM]A:201 |
3 |
1 |
803 |
◊ |
[ZN]C:208 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
98 |
9.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.008 |
40 |
80 |
|
[ZN]C:206 |
1 |
1 |
98 |
f |
[CA]C:203 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
81 |
|
[ZN]C:207 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6279 |
8.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.007 |
42 |
82 |
|
[CA]A:202 |
1 |
1 |
85 |
◊ |
[CA]C:202 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
85 |
6.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
43 |
83 |
|
B |
1 |
1 |
6374 |
◊ |
[CA]C:202 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
85 |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
44 |
84 |
|
A |
1 |
1 |
6317 |
◊ |
[HEM]C:201 |
x-y,x+1,z+1/6 |
6_565 |
1 |
1 |
792 |
4.5 |
-0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
45 |
85 |
|
B |
3 |
1 |
6374 |
x |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
6374 |
2.7 |
0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
46 |
86 |
|
[ZN]C:207 |
1 |
1 |
98 |
f |
[CA]C:203 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
|