## |
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 |
262 |
70 |
20072 |
◊ |
A |
x,y,z |
1_555 |
259 |
70 |
20111 |
2621.5 |
-36.6 |
0.009 |
38 |
12 |
0 |
0.212 |
2 |
2 |
|
A |
69 |
19 |
20111 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
69 |
20 |
20072 |
667.0 |
-0.7 |
0.703 |
13 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]B:750 |
43 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
84 |
26 |
20072 |
549.0 |
-20.0 |
0.330 |
3 |
0 |
0 |
0.163 |
4 |
|
[HEM]A:750 |
43 |
1 |
823 |
f |
A |
x,y,z |
1_555 |
84 |
26 |
20111 |
547.5 |
-19.9 |
0.339 |
3 |
0 |
0 |
0.163 |
Average: |
548.3 |
-19.9 |
0.334 |
3 |
0 |
0 |
0.163 |
4 |
5 |
|
B |
47 |
15 |
20072 |
x |
B |
x-1,y,z |
1_455 |
48 |
15 |
20072 |
429.6 |
-1.1 |
0.598 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
38 |
11 |
20072 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
33 |
9 |
20111 |
336.8 |
-2.8 |
0.402 |
3 |
2 |
0 |
0.000 |
6 |
7 |
|
[XFN]B:800 |
27 |
1 |
655 |
f |
B |
x,y,z |
1_555 |
46 |
17 |
20072 |
326.8 |
-4.9 |
0.595 |
3 |
0 |
0 |
0.024 |
7 |
8 |
|
[XFN]A:800 |
27 |
1 |
653 |
f |
A |
x,y,z |
1_555 |
49 |
18 |
20111 |
326.2 |
-5.0 |
0.615 |
3 |
0 |
0 |
0.024 |
8 |
9 |
|
[MTL]B:870 |
12 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20072 |
178.0 |
1.4 |
0.442 |
10 |
0 |
0 |
0.012 |
9 |
10 |
|
A |
23 |
13 |
20111 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
7 |
20072 |
175.5 |
-0.0 |
0.660 |
0 |
1 |
0 |
0.000 |
10 |
11 |
|
[XFN]A:800 |
20 |
1 |
653 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
37 |
1 |
823 |
143.1 |
-5.3 |
0.940 |
0 |
0 |
0 |
0.020 |
11 |
12 |
|
[XFN]B:800 |
20 |
1 |
655 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
34 |
1 |
818 |
139.5 |
-5.0 |
0.952 |
0 |
0 |
0 |
0.019 |
12 |
13 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20072 |
114.7 |
-1.4 |
0.477 |
1 |
0 |
0 |
0.007 |
13 |
14 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
20111 |
112.8 |
-1.4 |
0.481 |
1 |
0 |
0 |
0.007 |
14 |
15 |
|
[XFN]B:800 |
8 |
1 |
655 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
20111 |
79.2 |
-1.7 |
0.464 |
0 |
0 |
0 |
0.007 |
15 |
16 |
|
[XFN]A:800 |
8 |
1 |
653 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
20072 |
78.6 |
-1.3 |
0.502 |
0 |
0 |
0 |
0.005 |
16 |
17 |
|
[CL]A:930 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
20111 |
68.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.077 |
18 |
|
[CL]B:930 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
20072 |
67.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
67.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.077 |
17 |
19 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
823 |
36.5 |
-1.2 |
0.753 |
0 |
0 |
0 |
0.004 |
18 |
20 |
|
[ACT]B:860 |
3 |
1 |
183 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
818 |
35.1 |
-1.1 |
0.751 |
0 |
0 |
0 |
0.004 |
19 |
21 |
|
[CL]A:910 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20111 |
34.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.030 |
22 |
|
[CL]B:910 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20072 |
34.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
34.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.030 |
20 |
23 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20072 |
34.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.135 |
24 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20111 |
34.0 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.135 |
21 |
25 |
|
[CL]B:910 |
1 |
1 |
125 |
f |
[XFN]B:800 |
x,y,z |
1_555 |
10 |
1 |
655 |
30.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.014 |
22 |
26 |
|
[CL]A:910 |
1 |
1 |
125 |
f |
[XFN]A:800 |
x,y,z |
1_555 |
10 |
1 |
653 |
30.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.014 |
23 |
27 |
|
[ZN]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20111 |
28.0 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.112 |
28 |
|
[ZN]A:719 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20072 |
27.8 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
27.9 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.112 |
24 |
29 |
|
[CL]B:910 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
20111 |
26.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
30 |
|
[CL]A:910 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
20072 |
26.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
26.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
31 |
|
[ZN]A:719 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20111 |
26.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.096 |
32 |
|
[ZN]A:901 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20072 |
26.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
26.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.096 |
26 |
33 |
|
[CL]A:910 |
1 |
1 |
125 |
f |
[ZN]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.045 |
27 |
34 |
|
[CL]B:910 |
1 |
1 |
125 |
f |
[ZN]A:719 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.045 |
28 |
35 |
|
[CL]A:930 |
1 |
1 |
125 |
f |
[XFN]A:800 |
x,y,z |
1_555 |
5 |
1 |
653 |
22.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.010 |
29 |
36 |
|
[CL]B:930 |
1 |
1 |
125 |
f |
[XFN]B:800 |
x,y,z |
1_555 |
5 |
1 |
655 |
21.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.010 |
30 |
37 |
|
B |
2 |
1 |
20072 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
3 |
20072 |
17.5 |
0.9 |
0.884 |
1 |
0 |
0 |
0.000 |
31 |
38 |
|
A |
2 |
1 |
20111 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20111 |
10.6 |
-0.3 |
0.272 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[ZN]A:901 |
1 |
1 |
98 |
f |
[XFN]A:800 |
x,y,z |
1_555 |
5 |
1 |
653 |
6.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
40 |
|
[MTL]B:870 |
1 |
1 |
328 |
f |
[XFN]B:800 |
x,y,z |
1_555 |
1 |
1 |
655 |
6.2 |
0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[ZN]A:719 |
1 |
1 |
98 |
f |
[XFN]B:800 |
x,y,z |
1_555 |
4 |
1 |
655 |
5.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.008 |
35 |
42 |
|
A |
1 |
1 |
20111 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20072 |
5.1 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
|