| ## |
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 |
85 |
23 |
18524 |
◊ |
A |
x,y,z |
1_555 |
83 |
24 |
18540 |
795.5 |
0.1 |
0.625 |
13 |
4 |
0 |
0.000 |
2 |
|
A |
79 |
22 |
18540 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
60 |
20 |
18524 |
631.7 |
1.9 |
0.762 |
13 |
2 |
0 |
0.000 |
| Average: |
713.6 |
1.0 |
0.694 |
13 |
3 |
0 |
0.000 |
| 2 |
3 |
|
B |
61 |
21 |
18524 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
61 |
22 |
18524 |
591.7 |
-3.8 |
0.321 |
5 |
5 |
0 |
0.000 |
| 3 |
4 |
|
[HEM]A:500 |
43 |
1 |
807 |
f |
A |
x,y,z |
1_555 |
73 |
25 |
18540 |
554.0 |
-18.0 |
0.447 |
6 |
0 |
0 |
0.019 |
5 |
|
[HEM]B:500 |
43 |
1 |
840 |
cf |
B |
x,y,z |
1_555 |
71 |
23 |
18524 |
519.6 |
-17.8 |
0.338 |
2 |
0 |
0 |
0.019 |
| Average: |
536.8 |
-17.9 |
0.392 |
4 |
0 |
0 |
0.019 |
| 4 |
6 |
|
A |
59 |
17 |
18540 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
54 |
17 |
18540 |
468.2 |
-1.3 |
0.521 |
6 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
41 |
15 |
18524 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
41 |
15 |
18524 |
332.2 |
1.7 |
0.776 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
22 |
6 |
18524 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
18524 |
134.3 |
-0.3 |
0.549 |
1 |
1 |
0 |
0.000 |
9 |
|
A |
6 |
3 |
18540 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
3 |
18540 |
24.6 |
1.1 |
0.826 |
0 |
1 |
0 |
0.000 |
| Average: |
79.5 |
0.4 |
0.687 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
[PO4]A:501 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
18540 |
99.7 |
-7.4 |
0.661 |
4 |
0 |
0 |
0.009 |
11 |
|
[PO4]B:501 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
18524 |
99.4 |
-7.4 |
0.667 |
3 |
0 |
0 |
0.009 |
| Average: |
99.5 |
-7.4 |
0.664 |
4 |
0 |
0 |
0.009 |
| 8 |
12 |
|
[NA]A:512 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18540 |
66.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.011 |
13 |
|
[NA]B:512 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
18524 |
66.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
66.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 9 |
14 |
|
[NA]B:523 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18524 |
64.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.011 |
15 |
|
[NA]A:523 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18540 |
63.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
64.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.011 |
| 10 |
16 |
|
[NA]B:513 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
18524 |
53.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.010 |
17 |
|
[NA]A:513 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
18540 |
53.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
53.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 11 |
18 |
|
[CL]B:511 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
18524 |
49.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.009 |
19 |
|
[CL]A:511 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
18540 |
48.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
48.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 12 |
20 |
|
[CL]A:521 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
18540 |
48.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.009 |
21 |
|
[CL]B:521 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
18524 |
47.6 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
47.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 13 |
22 |
|
[NA]A:522 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
18540 |
43.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.008 |
23 |
|
[NA]B:522 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
18524 |
43.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
43.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 14 |
24 |
|
[NA]B:522 |
1 |
1 |
125 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
3 |
1 |
187 |
25.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.004 |
25 |
|
[NA]A:522 |
1 |
1 |
125 |
f |
[PO4]A:501 |
x,y,z |
1_555 |
3 |
1 |
187 |
25.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
25.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 15 |
26 |
|
[NA]A:513 |
1 |
1 |
125 |
f |
[CL]A:511 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 16 |
27 |
|
[NA]B:513 |
1 |
1 |
125 |
f |
[CL]B:511 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 17 |
28 |
|
[NA]B:522 |
1 |
1 |
125 |
f |
[CL]B:521 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 18 |
29 |
|
[NA]A:522 |
1 |
1 |
125 |
f |
[CL]A:521 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 19 |
30 |
|
[HEM]A:500 |
6 |
1 |
807 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
18540 |
12.7 |
0.3 |
0.955 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[NA]A:512 |
1 |
1 |
125 |
f |
[CL]A:511 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 21 |
32 |
|
[NA]B:512 |
1 |
1 |
125 |
f |
[CL]B:511 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 22 |
33 |
|
[NA]B:523 |
1 |
1 |
125 |
f |
[CL]B:521 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 23 |
34 |
|
[NA]A:523 |
1 |
1 |
125 |
f |
[CL]A:521 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.002 |
| 24 |
35 |
|
[CL]A:521 |
1 |
1 |
125 |
f |
[PO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[CL]B:521 |
1 |
1 |
125 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
1 |
1 |
187 |
1.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|