| ## |
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 |
|
A |
187 |
48 |
21131 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
187 |
48 |
21131 |
1768.9 |
2.4 |
0.717 |
12 |
12 |
0 |
0.000 |
| 2 |
2 |
|
B |
163 |
55 |
20042 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
161 |
54 |
20042 |
1538.9 |
-0.6 |
0.582 |
6 |
4 |
0 |
0.000 |
3 |
|
A |
159 |
54 |
21131 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
161 |
54 |
21131 |
1487.3 |
-1.5 |
0.539 |
8 |
2 |
0 |
0.000 |
| Average: |
1513.1 |
-1.0 |
0.561 |
7 |
3 |
0 |
0.000 |
| 3 |
4 |
|
A |
78 |
19 |
21131 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
76 |
26 |
20042 |
681.2 |
-0.7 |
0.527 |
6 |
4 |
0 |
0.000 |
| 4 |
5 |
|
B |
38 |
13 |
20042 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
21131 |
365.6 |
2.1 |
0.766 |
4 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
27 |
8 |
20042 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
28 |
8 |
21131 |
271.3 |
-0.8 |
0.463 |
3 |
3 |
0 |
0.000 |
| 6 |
7 |
|
[GOL]A:483 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
21131 |
140.6 |
-0.7 |
0.532 |
2 |
0 |
0 |
0.003 |
| 7 |
8 |
|
[GOL]B:484 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
20042 |
135.0 |
-0.6 |
0.475 |
1 |
0 |
0 |
0.002 |
| 8 |
9 |
|
[GOL]A:485 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21131 |
106.2 |
0.2 |
0.600 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[GOL]A:482 |
6 |
1 |
214 |
f |
A |
-x,y,-z+1/2 |
3_555 |
21 |
7 |
21131 |
104.2 |
-0.8 |
0.460 |
0 |
0 |
0 |
0.002 |
| 10 |
11 |
|
[GOL]B:482 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
20042 |
96.7 |
-0.3 |
0.512 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[GOL]B:482 |
6 |
1 |
219 |
f |
B |
-x,y,-z+1/2 |
3_555 |
17 |
7 |
20042 |
92.6 |
-0.8 |
0.402 |
0 |
0 |
0 |
0.002 |
| 12 |
13 |
|
A |
8 |
3 |
21131 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
11 |
5 |
20042 |
91.4 |
0.7 |
0.599 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[GOL]B:483 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20042 |
91.2 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[GOL]A:484 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21131 |
89.1 |
0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[PO4]B:1004 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
20042 |
87.0 |
-6.0 |
0.622 |
0 |
0 |
0 |
0.013 |
| 16 |
17 |
|
[PO4]A:1004 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
21131 |
86.2 |
-6.0 |
0.630 |
1 |
0 |
0 |
0.013 |
| 17 |
18 |
|
[GOL]A:482 |
6 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
21131 |
83.7 |
0.9 |
0.732 |
2 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[PO4]B:485 |
4 |
1 |
190 |
f |
B |
-x,y,-z+1/2 |
3_555 |
9 |
6 |
20042 |
69.4 |
-3.1 |
0.913 |
1 |
0 |
0 |
0.008 |
| 19 |
20 |
|
[PO4]A:486 |
4 |
1 |
189 |
f |
A |
-x,y,-z+1/2 |
3_555 |
9 |
5 |
21131 |
68.1 |
-4.2 |
0.653 |
2 |
0 |
0 |
0.010 |
| 20 |
21 |
|
[FE]B:1001 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
20042 |
42.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.016 |
22 |
|
[FE]A:1001 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
21131 |
42.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
42.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 21 |
23 |
|
[FE]A:1002 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21131 |
40.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.016 |
24 |
|
[FE]B:1002 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
20042 |
40.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
40.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.016 |
| 22 |
25 |
|
[PO4]A:486 |
3 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
21131 |
27.5 |
-1.8 |
0.571 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[PO4]B:485 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
20042 |
26.1 |
-1.6 |
0.568 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[PO4]A:1004 |
4 |
1 |
188 |
f |
[FE]A:1002 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 25 |
28 |
|
[PO4]B:1004 |
4 |
1 |
189 |
f |
[FE]B:1002 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 26 |
29 |
|
[GOL]B:483 |
2 |
1 |
218 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
20042 |
25.5 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[PO4]B:1004 |
3 |
1 |
189 |
f |
[FE]B:1001 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 28 |
31 |
|
[PO4]A:1004 |
3 |
1 |
188 |
f |
[FE]A:1001 |
x,y,z |
1_555 |
1 |
1 |
137 |
25.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 29 |
32 |
|
[OH]B:1003 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
20042 |
24.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
33 |
|
[OH]A:1003 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21131 |
23.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
24.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 30 |
34 |
|
[OH]A:1003 |
1 |
1 |
99 |
f |
[FE]A:1001 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 31 |
35 |
|
[OH]B:1003 |
1 |
1 |
99 |
f |
[FE]B:1001 |
x,y,z |
1_555 |
1 |
1 |
137 |
19.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 32 |
36 |
|
[OH]B:1003 |
1 |
1 |
99 |
f |
[FE]B:1002 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 33 |
37 |
|
[FE]B:1002 |
1 |
1 |
137 |
f |
[FE]B:1001 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 34 |
38 |
|
[OH]A:1003 |
1 |
1 |
99 |
f |
[FE]A:1002 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 35 |
39 |
|
[FE]A:1002 |
1 |
1 |
137 |
f |
[FE]A:1001 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 36 |
40 |
|
[PO4]B:1004 |
3 |
1 |
189 |
f |
[OH]B:1003 |
x,y,z |
1_555 |
1 |
1 |
99 |
16.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 37 |
41 |
|
[PO4]A:1004 |
3 |
1 |
188 |
f |
[OH]A:1003 |
x,y,z |
1_555 |
1 |
1 |
99 |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
42 |
|
[GOL]A:483 |
2 |
1 |
214 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
20042 |
12.7 |
-0.2 |
0.294 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[GOL]A:484 |
1 |
1 |
218 |
◊ |
[GOL]A:482 |
x,y,z |
1_555 |
1 |
1 |
214 |
7.9 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[GOL]A:484 |
1 |
1 |
218 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
21131 |
0.1 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
|