| ## |
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 |
137 |
38 |
12982 |
◊ |
A |
x,y,z |
1_555 |
137 |
39 |
12849 |
1307.8 |
-21.2 |
0.022 |
7 |
7 |
0 |
0.258 |
| 2 |
2 |
|
B |
35 |
13 |
12982 |
x |
B |
x-1,y,z |
1_455 |
32 |
8 |
12982 |
296.6 |
2.7 |
0.872 |
6 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
30 |
8 |
12982 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
35 |
8 |
12982 |
279.3 |
-3.1 |
0.185 |
6 |
4 |
0 |
0.000 |
4 |
|
A |
34 |
8 |
12849 |
x |
A |
-x,y-1/2,-z |
2_545 |
27 |
7 |
12849 |
248.7 |
-0.4 |
0.405 |
7 |
4 |
0 |
0.000 |
| Average: |
264.0 |
-1.7 |
0.295 |
7 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
33 |
11 |
12849 |
x |
A |
x-1,y,z |
1_455 |
26 |
9 |
12849 |
269.4 |
-0.2 |
0.575 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[B3P]A:306 |
11 |
1 |
422 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
28 |
8 |
12849 |
163.1 |
2.7 |
0.465 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[B3P]A:306 |
12 |
1 |
422 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12849 |
162.8 |
1.8 |
0.353 |
5 |
0 |
0 |
0.004 |
| 7 |
8 |
|
B |
12 |
5 |
12982 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
5 |
12849 |
113.8 |
2.0 |
0.897 |
4 |
4 |
0 |
0.000 |
| 8 |
9 |
|
[GOL]A:305 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
12849 |
93.9 |
-0.6 |
0.489 |
8 |
0 |
0 |
0.042 |
| 9 |
10 |
|
[GOL]B:305 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
12982 |
92.5 |
-0.1 |
0.637 |
9 |
0 |
0 |
0.042 |
| 10 |
11 |
|
B |
8 |
4 |
12982 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
12982 |
48.4 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12982 |
40.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.141 |
13 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12849 |
39.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.141 |
| Average: |
39.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.141 |
| 12 |
14 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12982 |
39.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.139 |
15 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12849 |
39.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
39.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.139 |
| 13 |
16 |
|
[GOL]A:305 |
4 |
1 |
222 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| 14 |
17 |
|
[GOL]B:305 |
4 |
1 |
221 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 15 |
18 |
|
[OH]A:303 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
12849 |
23.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.049 |
19 |
|
[OH]B:303 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
12982 |
22.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
23.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| 16 |
20 |
|
[GOL]A:305 |
2 |
1 |
222 |
f |
[FE]A:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 17 |
21 |
|
[GOL]B:305 |
2 |
1 |
221 |
f |
[FE]B:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.019 |
| 18 |
22 |
|
[OH]B:303 |
1 |
1 |
99 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 19 |
23 |
|
[OH]A:303 |
1 |
1 |
99 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 20 |
24 |
|
[OH]A:303 |
1 |
1 |
99 |
f |
[FE]A:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 21 |
25 |
|
[OH]B:303 |
1 |
1 |
99 |
f |
[FE]B:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 22 |
26 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.037 |
| 23 |
27 |
|
[GOL]B:305 |
3 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12849 |
18.1 |
-0.3 |
0.496 |
0 |
0 |
0 |
0.003 |
| 24 |
28 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| 25 |
29 |
|
[GOL]A:305 |
3 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12982 |
16.7 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.003 |
| 26 |
30 |
|
[GOL]B:305 |
3 |
1 |
221 |
f |
[OH]B:303 |
x,y,z |
1_555 |
1 |
1 |
99 |
15.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 27 |
31 |
|
[GOL]A:305 |
3 |
1 |
222 |
f |
[OH]A:303 |
x,y,z |
1_555 |
1 |
1 |
99 |
15.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 28 |
32 |
|
[FE]B:302 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12849 |
12.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.023 |
33 |
|
[FE]A:302 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12982 |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
12.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.023 |
|