## |
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 |
|
[HEM]A:150 |
43 |
1 |
826 |
cf |
A |
x,y,z |
1_555 |
74 |
22 |
6344 |
567.9 |
-20.0 |
0.431 |
0 |
0 |
0 |
0.255 |
2 |
|
[HEM]D:150 |
43 |
1 |
829 |
cf |
D |
x,y,z |
1_555 |
77 |
22 |
6260 |
567.7 |
-19.7 |
0.415 |
0 |
0 |
0 |
0.255 |
3 |
|
[HEM]C:150 |
43 |
1 |
825 |
cf |
C |
x,y,z |
1_555 |
73 |
20 |
6430 |
546.7 |
-20.1 |
0.333 |
0 |
0 |
0 |
0.255 |
4 |
|
[HEM]B:150 |
43 |
1 |
821 |
cf |
B |
x,y,z |
1_555 |
70 |
21 |
6247 |
544.1 |
-19.4 |
0.347 |
0 |
0 |
0 |
0.255 |
Average: |
556.6 |
-19.8 |
0.382 |
0 |
0 |
0 |
0.255 |
2 |
5 |
|
B |
52 |
13 |
6247 |
◊ |
B |
y+1/3,x-1/3,-z-1/3 |
16_544 |
53 |
13 |
6247 |
454.8 |
1.0 |
0.809 |
4 |
0 |
0 |
0.002 |
3 |
6 |
|
B |
54 |
14 |
6247 |
x |
C |
-y,x-y,z |
2_555 |
39 |
12 |
6430 |
424.4 |
-4.9 |
0.209 |
4 |
2 |
0 |
0.062 |
7 |
|
A |
51 |
14 |
6344 |
x |
A |
-y,x-y,z |
2_555 |
42 |
13 |
6344 |
405.5 |
-6.5 |
0.173 |
0 |
2 |
0 |
0.062 |
8 |
|
D |
50 |
12 |
6260 |
x |
C |
x,y,z |
1_555 |
41 |
15 |
6430 |
384.8 |
-5.5 |
0.188 |
2 |
3 |
0 |
0.062 |
9 |
|
B |
39 |
11 |
6247 |
x |
D |
-y,x-y,z |
2_555 |
46 |
12 |
6260 |
381.7 |
-4.7 |
0.272 |
1 |
2 |
0 |
0.062 |
Average: |
399.1 |
-5.4 |
0.211 |
2 |
2 |
0 |
0.062 |
4 |
10 |
|
A |
33 |
12 |
6344 |
◊ |
C |
-y,x-y,z |
2_555 |
32 |
12 |
6430 |
325.2 |
4.1 |
0.932 |
5 |
6 |
0 |
0.001 |
11 |
|
D |
28 |
12 |
6260 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
6247 |
260.8 |
3.7 |
0.908 |
6 |
8 |
0 |
0.001 |
Average: |
293.0 |
3.9 |
0.920 |
6 |
7 |
0 |
0.001 |
5 |
12 |
|
D |
23 |
6 |
6260 |
◊ |
D |
y+1/3,x-1/3,-z-1/3 |
16_544 |
24 |
6 |
6260 |
188.4 |
0.2 |
0.701 |
0 |
2 |
0 |
0.000 |
6 |
13 |
|
A |
27 |
8 |
6344 |
◊ |
A |
y,x,-z-1 |
4_554 |
26 |
8 |
6344 |
186.6 |
-3.6 |
0.298 |
0 |
0 |
0 |
0.021 |
7 |
14 |
|
C |
25 |
8 |
6430 |
◊ |
C |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
25 |
8 |
6430 |
172.5 |
5.6 |
0.967 |
4 |
2 |
0 |
0.000 |
8 |
15 |
|
C |
24 |
7 |
6430 |
◊ |
A |
y-1/3,x-2/3,-z-2/3 |
10_444 |
20 |
7 |
6344 |
168.7 |
3.7 |
0.918 |
4 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
14 |
3 |
6430 |
x |
B |
x,y,z |
1_555 |
12 |
4 |
6247 |
124.7 |
-0.2 |
0.610 |
0 |
2 |
0 |
0.005 |
17 |
|
C |
16 |
4 |
6430 |
x |
A |
x,y,z |
1_555 |
14 |
3 |
6344 |
119.6 |
-0.0 |
0.640 |
1 |
2 |
0 |
0.005 |
18 |
|
D |
14 |
4 |
6260 |
x |
D |
-y,x-y,z |
2_555 |
13 |
3 |
6260 |
117.7 |
-0.3 |
0.603 |
1 |
2 |
0 |
0.005 |
Average: |
120.7 |
-0.2 |
0.618 |
1 |
2 |
0 |
0.005 |
10 |
19 |
|
C |
16 |
6 |
6430 |
◊ |
B |
x-y-2/3,-y-1/3,-z-1/3 |
17_444 |
15 |
3 |
6247 |
122.2 |
-0.7 |
0.536 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
B |
14 |
3 |
6247 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
6344 |
119.7 |
-0.6 |
0.579 |
0 |
2 |
0 |
0.002 |
12 |
21 |
|
[ACT]B:151 |
4 |
1 |
183 |
◊ |
C |
-y,x-y,z |
2_555 |
16 |
4 |
6430 |
84.2 |
-1.0 |
0.533 |
0 |
0 |
0 |
0.003 |
13 |
22 |
|
A |
10 |
4 |
6344 |
◊ |
[ACT]A:151 |
-y,x-y,z |
2_555 |
4 |
1 |
183 |
73.1 |
-1.2 |
0.435 |
2 |
0 |
0 |
0.019 |
14 |
23 |
|
[ACT]C:151 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
6260 |
69.3 |
-1.3 |
0.424 |
1 |
0 |
0 |
0.005 |
15 |
24 |
|
[ACT]D:151 |
4 |
1 |
182 |
cf |
D |
x,y,z |
1_555 |
12 |
6 |
6260 |
67.5 |
-1.1 |
0.409 |
1 |
0 |
0 |
0.020 |
16 |
25 |
|
C |
6 |
2 |
6430 |
◊ |
[HEM]A:150 |
y-1/3,x-2/3,-z-2/3 |
10_444 |
5 |
1 |
826 |
65.9 |
-1.8 |
0.626 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
B |
9 |
4 |
6247 |
◊ |
[ACT]D:151 |
-y,x-y,z |
2_555 |
4 |
1 |
182 |
65.3 |
-0.3 |
0.595 |
2 |
0 |
0 |
0.004 |
18 |
27 |
|
[ACT]C:151 |
4 |
1 |
182 |
cf |
C |
x,y,z |
1_555 |
11 |
6 |
6430 |
63.2 |
-0.7 |
0.392 |
1 |
0 |
0 |
0.007 |
19 |
28 |
|
[ACT]A:151 |
4 |
1 |
183 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
6344 |
62.1 |
-1.9 |
0.167 |
1 |
0 |
0 |
0.027 |
20 |
29 |
|
[ACT]B:151 |
4 |
1 |
183 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
6247 |
53.9 |
-1.6 |
0.191 |
0 |
0 |
0 |
0.009 |
21 |
30 |
|
[HEM]C:150 |
5 |
1 |
825 |
◊ |
C |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
3 |
1 |
6430 |
49.5 |
-0.6 |
0.777 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[ZN]B:110 |
1 |
1 |
98 |
f |
C |
-y,x-y,z |
2_555 |
7 |
2 |
6430 |
44.2 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.218 |
32 |
|
[ZN]B:109 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6247 |
33.7 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.218 |
33 |
|
[ZN]A:109 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
6344 |
32.0 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.218 |
34 |
|
[ZN]D:107 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
6260 |
31.7 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.218 |
Average: |
35.4 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.218 |
23 |
35 |
|
D |
3 |
1 |
6260 |
◊ |
D |
-x,-x+y,-z |
6_555 |
3 |
1 |
6260 |
42.4 |
1.3 |
0.911 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[ZN]D:108 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
6260 |
41.9 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.338 |
37 |
|
[ZN]B:111 |
1 |
1 |
98 |
f |
C |
-y,x-y,z |
2_555 |
6 |
2 |
6430 |
41.5 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.338 |
38 |
|
[ZN]B:107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
6247 |
41.2 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.338 |
39 |
|
[ZN]A:107 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6344 |
40.3 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.338 |
Average: |
41.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.338 |
25 |
40 |
|
[ZN]A:110 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
4 |
6344 |
38.2 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.248 |
26 |
41 |
|
[ZN]B:108 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6260 |
36.6 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.235 |
42 |
|
[ZN]A:108 |
1 |
1 |
98 |
◊ |
C |
-y,x-y,z |
2_555 |
5 |
2 |
6430 |
36.4 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.235 |
43 |
|
[ZN]B:108 |
1 |
1 |
98 |
c |
B |
x,y,z |
1_555 |
5 |
2 |
6247 |
36.3 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.235 |
44 |
|
[ZN]A:108 |
1 |
1 |
98 |
c |
A |
x,y,z |
1_555 |
5 |
2 |
6344 |
35.7 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.235 |
Average: |
36.2 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.235 |
27 |
45 |
|
[ZN]B:111 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6247 |
32.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.123 |
46 |
|
[ZN]B:107 |
1 |
1 |
98 |
◊ |
D |
-y,x-y,z |
2_555 |
3 |
1 |
6260 |
31.2 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.123 |
47 |
|
[ZN]D:108 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6430 |
31.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.123 |
48 |
|
[ZN]A:107 |
1 |
1 |
98 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
1 |
6344 |
30.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
31.3 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.123 |
28 |
49 |
|
[ZN]A:109 |
1 |
1 |
98 |
◊ |
A |
-y,x-y,z |
2_555 |
5 |
2 |
6344 |
31.8 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.128 |
50 |
|
[ZN]D:107 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6430 |
31.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.128 |
51 |
|
[ZN]B:109 |
1 |
1 |
98 |
◊ |
D |
-y,x-y,z |
2_555 |
3 |
2 |
6260 |
30.1 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.128 |
52 |
|
[ZN]B:110 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6247 |
11.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
26.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.128 |
29 |
53 |
|
[ZN]B:110 |
1 |
1 |
98 |
◊ |
[ACT]B:151 |
x,y,z |
1_555 |
3 |
1 |
183 |
25.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.035 |
30 |
54 |
|
[ZN]A:109 |
1 |
1 |
98 |
◊ |
[ACT]A:151 |
-y,x-y,z |
2_555 |
3 |
1 |
183 |
25.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.102 |
55 |
|
[ZN]D:107 |
1 |
1 |
98 |
◊ |
[ACT]C:151 |
x,y,z |
1_555 |
3 |
1 |
182 |
24.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.102 |
56 |
|
[ZN]B:109 |
1 |
1 |
98 |
◊ |
[ACT]D:151 |
-y,x-y,z |
2_555 |
3 |
1 |
182 |
24.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
25.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.102 |
31 |
57 |
|
[ZN]D:109 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
2 |
2 |
6260 |
25.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.125 |
32 |
58 |
|
[HEM]C:150 |
4 |
1 |
825 |
◊ |
[HEM]C:150 |
x-y-1/3,-y-2/3,-z-2/3 |
11_444 |
4 |
1 |
825 |
21.8 |
-1.1 |
0.861 |
0 |
0 |
0 |
0.000 |
33 |
59 |
|
[ZN]D:109 |
1 |
1 |
98 |
x |
[HEM]D:150 |
x,y,z |
1_555 |
3 |
1 |
829 |
9.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.059 |
34 |
60 |
|
D |
1 |
1 |
6260 |
◊ |
A |
y-1/3,x-2/3,-z-2/3 |
10_444 |
1 |
1 |
6344 |
0.3 |
0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
|