| ## |
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 |
278 |
73 |
18197 |
◊ |
A |
x,y,z |
1_555 |
271 |
74 |
21187 |
2707.3 |
-34.1 |
0.083 |
25 |
10 |
0 |
0.242 |
| 2 |
2 |
|
B |
117 |
32 |
18197 |
◊ |
A |
-x,y,-z+1 |
2_556 |
117 |
32 |
21187 |
1179.8 |
-13.1 |
0.248 |
13 |
9 |
0 |
0.120 |
| 3 |
3 |
|
A |
89 |
27 |
21187 |
◊ |
A |
-x,y,-z |
2_555 |
88 |
27 |
21187 |
808.0 |
-5.7 |
0.535 |
4 |
8 |
0 |
0.000 |
| 4 |
4 |
|
A |
90 |
22 |
21187 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
79 |
24 |
18197 |
724.8 |
-9.4 |
0.287 |
11 |
1 |
0 |
0.090 |
| 5 |
5 |
|
B |
23 |
8 |
18197 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
7 |
18197 |
196.0 |
-2.4 |
0.402 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[GOL]B:602 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
18197 |
143.6 |
-0.7 |
0.597 |
4 |
0 |
0 |
0.015 |
| 7 |
7 |
|
[GOL]A:602 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
21187 |
142.1 |
-0.4 |
0.628 |
3 |
0 |
0 |
0.011 |
| 8 |
8 |
|
[GOL]A:601 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
21187 |
138.9 |
-0.5 |
0.551 |
5 |
0 |
0 |
0.017 |
| 9 |
9 |
|
[GOL]B:601 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
18197 |
137.5 |
-0.6 |
0.615 |
4 |
0 |
0 |
0.015 |
| 10 |
10 |
|
[GOL]B:603 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
18197 |
130.8 |
-0.3 |
0.652 |
5 |
0 |
0 |
0.016 |
| 11 |
11 |
|
[GOL]A:603 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
21187 |
127.4 |
0.2 |
0.681 |
7 |
0 |
0 |
0.018 |
| 12 |
12 |
|
[GOL]A:604 |
6 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
21187 |
124.9 |
-0.6 |
0.530 |
3 |
0 |
0 |
0.012 |
| 13 |
13 |
|
[K]B:607 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
18197 |
123.9 |
-103.3 |
0.000 |
0 |
0 |
0 |
0.644 |
| 14 |
14 |
|
[OXL]B:604 |
6 |
1 |
200 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
18197 |
113.3 |
1.9 |
0.476 |
5 |
0 |
0 |
0.007 |
15 |
|
[OXL]A:605 |
6 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
21187 |
110.7 |
1.9 |
0.503 |
6 |
0 |
0 |
0.007 |
| Average: |
112.0 |
1.9 |
0.489 |
6 |
0 |
0 |
0.007 |
| 15 |
16 |
|
[NO3]B:606 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
18197 |
101.3 |
-0.4 |
0.250 |
1 |
0 |
0 |
0.005 |
| 16 |
17 |
|
[NO3]A:607 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
21187 |
89.8 |
2.0 |
0.668 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
A |
10 |
2 |
21187 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
5 |
2 |
21187 |
69.1 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[CL]B:608 |
1 |
1 |
125 |
f |
A |
-x,y,-z+1 |
2_556 |
8 |
4 |
21187 |
48.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| 19 |
20 |
|
A |
3 |
1 |
21187 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
1 |
21187 |
41.0 |
0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
3 |
1 |
18197 |
◊ |
B |
-x,y,-z+1 |
2_556 |
3 |
1 |
18197 |
12.6 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
| Average: |
26.8 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[MG]B:605 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
18197 |
40.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.065 |
23 |
|
[MG]A:606 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21187 |
36.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
38.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.065 |
| 21 |
24 |
|
[MG]B:605 |
1 |
1 |
98 |
f |
[OXL]B:604 |
x,y,z |
1_555 |
4 |
1 |
200 |
34.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.043 |
25 |
|
[MG]A:606 |
1 |
1 |
98 |
f |
[OXL]A:605 |
x,y,z |
1_555 |
4 |
1 |
198 |
31.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
33.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.043 |
| 22 |
26 |
|
[CL]B:608 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
18197 |
30.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.018 |
| 23 |
27 |
|
[GOL]A:603 |
2 |
1 |
218 |
f |
[GOL]A:602 |
x,y,z |
1_555 |
2 |
1 |
218 |
26.1 |
-0.4 |
0.382 |
0 |
0 |
0 |
0.003 |
| 24 |
28 |
|
[NO3]B:606 |
3 |
1 |
161 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
21187 |
24.3 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[MG]A:606 |
1 |
1 |
98 |
f |
[GOL]A:603 |
x,y,z |
1_555 |
2 |
1 |
218 |
12.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 26 |
30 |
|
[OXL]A:605 |
1 |
1 |
198 |
f |
[GOL]A:603 |
x,y,z |
1_555 |
1 |
1 |
218 |
2.9 |
-0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
|