## |
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 |
265 |
69 |
20054 |
◊ |
A |
x,y,z |
1_555 |
257 |
70 |
20027 |
2599.9 |
-38.2 |
0.009 |
41 |
12 |
0 |
0.227 |
2 |
2 |
|
A |
69 |
19 |
20027 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
67 |
19 |
20054 |
648.0 |
-0.7 |
0.742 |
14 |
0 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:801 |
42 |
1 |
832 |
f |
A |
x,y,z |
1_555 |
83 |
25 |
20027 |
529.8 |
-19.0 |
0.339 |
2 |
0 |
0 |
0.154 |
4 |
|
[HEM]B:801 |
41 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
82 |
25 |
20054 |
524.7 |
-18.9 |
0.355 |
1 |
0 |
0 |
0.154 |
Average: |
527.3 |
-19.0 |
0.347 |
2 |
0 |
0 |
0.154 |
4 |
5 |
|
B |
50 |
15 |
20054 |
x |
B |
x-1,y,z |
1_455 |
53 |
15 |
20054 |
456.2 |
-0.7 |
0.691 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[1ET]A:803 |
27 |
1 |
679 |
f |
A |
x,y,z |
1_555 |
55 |
23 |
20027 |
364.2 |
-1.7 |
0.628 |
6 |
0 |
0 |
0.033 |
7 |
|
[1ET]B:802 |
28 |
1 |
672 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
20054 |
350.2 |
-2.3 |
0.576 |
4 |
0 |
0 |
0.033 |
Average: |
357.2 |
-2.0 |
0.602 |
5 |
0 |
0 |
0.033 |
6 |
8 |
|
B |
41 |
12 |
20054 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
10 |
20027 |
324.0 |
-3.1 |
0.415 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
24 |
12 |
20027 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
8 |
20054 |
194.9 |
1.0 |
0.788 |
0 |
2 |
0 |
0.000 |
8 |
10 |
|
[H4B]A:802 |
16 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
20027 |
172.7 |
0.6 |
0.354 |
2 |
0 |
0 |
0.000 |
11 |
|
[H4B]A:809 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
20054 |
169.0 |
0.9 |
0.390 |
2 |
0 |
0 |
0.000 |
Average: |
170.9 |
0.8 |
0.372 |
2 |
0 |
0 |
0.001 |
9 |
12 |
|
[1ET]B:802 |
19 |
1 |
672 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
34 |
1 |
830 |
150.0 |
-4.9 |
0.712 |
0 |
0 |
0 |
0.039 |
13 |
|
[1ET]A:803 |
20 |
1 |
679 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
36 |
1 |
832 |
145.1 |
-4.6 |
0.735 |
1 |
0 |
0 |
0.039 |
Average: |
147.5 |
-4.8 |
0.723 |
1 |
0 |
0 |
0.039 |
10 |
14 |
|
[ACT]B:803 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20054 |
116.0 |
-1.4 |
0.510 |
1 |
0 |
0 |
0.007 |
11 |
15 |
|
[H4B]A:802 |
13 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
20054 |
114.4 |
-0.1 |
0.274 |
1 |
0 |
0 |
0.004 |
16 |
|
[H4B]A:809 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
20027 |
113.8 |
-0.2 |
0.274 |
1 |
0 |
0 |
0.004 |
Average: |
114.1 |
-0.1 |
0.274 |
1 |
0 |
0 |
0.004 |
12 |
17 |
|
[ACT]A:804 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
20027 |
111.8 |
-1.4 |
0.466 |
1 |
0 |
0 |
0.007 |
13 |
18 |
|
[CL]A:808 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20027 |
58.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.071 |
19 |
|
[CL]B:806 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
20054 |
57.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
58.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.071 |
14 |
20 |
|
[H4B]A:802 |
4 |
1 |
402 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
832 |
41.7 |
-1.0 |
0.491 |
1 |
0 |
0 |
0.011 |
21 |
|
[H4B]A:809 |
4 |
1 |
398 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
4 |
1 |
830 |
39.6 |
-1.1 |
0.422 |
1 |
0 |
0 |
0.011 |
Average: |
40.6 |
-1.0 |
0.456 |
1 |
0 |
0 |
0.011 |
15 |
22 |
|
[1ET]B:802 |
3 |
1 |
672 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
20027 |
41.3 |
-0.3 |
0.464 |
0 |
0 |
0 |
0.002 |
23 |
|
[1ET]A:803 |
3 |
1 |
679 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
20054 |
38.2 |
-0.3 |
0.439 |
0 |
0 |
0 |
0.002 |
Average: |
39.7 |
-0.3 |
0.452 |
0 |
0 |
0 |
0.002 |
16 |
24 |
|
[CL]A:807 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
20027 |
40.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.036 |
25 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
20054 |
37.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
38.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.036 |
17 |
26 |
|
[ACT]A:804 |
2 |
1 |
182 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
832 |
38.0 |
-1.2 |
0.692 |
0 |
0 |
0 |
0.005 |
18 |
27 |
|
[ACT]B:803 |
2 |
1 |
183 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
830 |
34.6 |
-1.1 |
0.694 |
0 |
0 |
0 |
0.004 |
19 |
28 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20027 |
34.2 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.137 |
29 |
|
[ZN]A:805 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20054 |
34.1 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
34.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.137 |
20 |
30 |
|
[CL]A:808 |
1 |
1 |
125 |
f |
[1ET]A:803 |
x,y,z |
1_555 |
4 |
1 |
679 |
33.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.026 |
31 |
|
[CL]B:806 |
1 |
1 |
125 |
f |
[1ET]B:802 |
x,y,z |
1_555 |
4 |
1 |
672 |
31.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
32.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.026 |
21 |
32 |
|
[ZN]A:806 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
20027 |
28.3 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.114 |
33 |
|
[ZN]B:804 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
20054 |
28.1 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
28.2 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.114 |
22 |
34 |
|
[ZN]B:804 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
20027 |
26.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.095 |
35 |
|
[ZN]A:806 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20054 |
25.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
26.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.095 |
23 |
36 |
|
[CL]B:805 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
20027 |
26.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
37 |
|
[CL]A:807 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
20054 |
25.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
24 |
38 |
|
[CL]A:807 |
1 |
1 |
125 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
6 |
1 |
402 |
25.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
39 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
[H4B]A:809 |
x,y,z |
1_555 |
6 |
1 |
398 |
24.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
24.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
25 |
40 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
[ZN]B:804 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.051 |
26 |
41 |
|
[CL]A:807 |
1 |
1 |
125 |
f |
[ZN]A:806 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.049 |
27 |
42 |
|
A |
3 |
1 |
20027 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20027 |
18.6 |
-0.6 |
0.200 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[1ET]B:802 |
8 |
1 |
672 |
f |
[H4B]A:809 |
x,y,z |
1_555 |
3 |
1 |
398 |
17.2 |
-0.3 |
0.355 |
0 |
0 |
0 |
0.002 |
44 |
|
[1ET]A:803 |
3 |
1 |
679 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
1 |
1 |
402 |
4.8 |
-0.2 |
0.265 |
0 |
0 |
0 |
0.002 |
Average: |
11.0 |
-0.3 |
0.310 |
0 |
0 |
0 |
0.002 |
29 |
45 |
|
A |
1 |
1 |
20027 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
20054 |
6.7 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
[ZN]A:806 |
1 |
1 |
98 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
4 |
1 |
402 |
4.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.012 |
47 |
|
[ZN]B:804 |
1 |
1 |
98 |
f |
[H4B]A:809 |
x,y,z |
1_555 |
4 |
1 |
398 |
4.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
4.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.012 |
31 |
48 |
|
[CL]A:807 |
1 |
1 |
125 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
1 |
1 |
832 |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
49 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
1 |
1 |
830 |
2.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
2.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
32 |
50 |
|
[CL]B:805 |
1 |
1 |
125 |
f |
[1ET]B:802 |
x,y,z |
1_555 |
1 |
1 |
672 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
33 |
51 |
|
A |
1 |
1 |
20027 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
20027 |
0.7 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
|