## |
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 |
296 |
74 |
20678 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
293 |
74 |
20678 |
2788.7 |
-7.3 |
0.712 |
52 |
24 |
0 |
1.000 |
2 |
|
C |
282 |
72 |
20340 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
281 |
72 |
20340 |
2668.4 |
-7.7 |
0.746 |
48 |
26 |
0 |
1.000 |
3 |
|
B |
274 |
71 |
20324 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
273 |
71 |
20324 |
2553.6 |
-11.2 |
0.626 |
46 |
22 |
0 |
1.000 |
4 |
|
D |
258 |
67 |
20118 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
258 |
67 |
20118 |
2433.6 |
-11.3 |
0.743 |
46 |
24 |
0 |
1.000 |
Average: |
2611.1 |
-9.4 |
0.707 |
48 |
24 |
0 |
1.000 |
2 |
5 |
|
D |
163 |
39 |
20118 |
◊ |
B |
x,y,z |
1_555 |
161 |
38 |
20324 |
1587.9 |
-12.6 |
0.327 |
25 |
5 |
0 |
0.356 |
6 |
|
C |
166 |
37 |
20340 |
◊ |
A |
x,y,z |
1_555 |
166 |
40 |
20678 |
1585.3 |
-13.5 |
0.219 |
23 |
6 |
0 |
0.356 |
Average: |
1586.6 |
-13.0 |
0.273 |
24 |
6 |
0 |
0.356 |
3 |
7 |
|
B |
50 |
17 |
20324 |
◊ |
A |
x,y,z |
1_555 |
52 |
19 |
20678 |
446.4 |
-4.4 |
0.249 |
3 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
40 |
12 |
20340 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
40 |
12 |
20118 |
365.3 |
0.6 |
0.796 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
34 |
10 |
20324 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
34 |
10 |
20324 |
264.4 |
-3.0 |
0.349 |
0 |
0 |
0 |
0.029 |
6 |
10 |
|
[CHT]B:601 |
6 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
20324 |
170.3 |
6.0 |
0.344 |
1 |
0 |
0 |
0.000 |
11 |
|
[CHT]C:601 |
6 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
33 |
13 |
20340 |
167.0 |
5.8 |
0.419 |
2 |
0 |
0 |
0.000 |
Average: |
168.7 |
5.9 |
0.381 |
2 |
0 |
0 |
0.000 |
7 |
12 |
|
[CHT]D:1000 |
6 |
1 |
262 |
◊ |
D |
x,y,z |
1_555 |
30 |
12 |
20118 |
169.6 |
6.2 |
0.376 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
[CHT]A:601 |
6 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
20678 |
163.5 |
6.2 |
0.445 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
B |
17 |
6 |
20324 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
5 |
20340 |
135.1 |
-2.1 |
0.247 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
11 |
6 |
20340 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
18 |
6 |
20324 |
114.7 |
-1.6 |
0.189 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
17 |
6 |
20678 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
10 |
5 |
20118 |
110.8 |
-0.7 |
0.334 |
0 |
0 |
0 |
0.000 |
Average: |
112.8 |
-1.1 |
0.262 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[SO4]B:606 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
20324 |
102.5 |
-14.5 |
0.852 |
4 |
0 |
0 |
0.390 |
12 |
18 |
|
B |
10 |
5 |
20324 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
7 |
20678 |
101.3 |
-0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
20678 |
93.1 |
-13.1 |
0.854 |
5 |
0 |
0 |
0.310 |
14 |
20 |
|
D |
13 |
4 |
20118 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
20678 |
89.3 |
-1.1 |
0.166 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
20324 |
82.4 |
-11.5 |
0.866 |
5 |
0 |
0 |
0.329 |
16 |
22 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20678 |
82.3 |
-12.2 |
0.739 |
4 |
0 |
0 |
0.284 |
17 |
23 |
|
[SO4]B:604 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
20118 |
76.2 |
-8.2 |
0.970 |
2 |
0 |
0 |
0.394 |
18 |
24 |
|
[SO4]C:603 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20678 |
72.3 |
-7.9 |
0.973 |
2 |
0 |
0 |
0.179 |
19 |
25 |
|
[SO4]C:603 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
20340 |
68.1 |
-6.4 |
0.970 |
2 |
0 |
0 |
0.106 |
20 |
26 |
|
[SO4]B:604 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
20324 |
67.6 |
-6.4 |
0.977 |
2 |
0 |
0 |
0.102 |
21 |
27 |
|
[SO4]B:605 |
5 |
1 |
184 |
f |
[SO4]B:605 |
-x+1,y,-z+1 |
2_656 |
5 |
1 |
184 |
61.8 |
-13.2 |
0.993 |
0 |
0 |
0 |
0.125 |
22 |
28 |
|
[SO4]B:605 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20324 |
56.7 |
-6.3 |
0.953 |
3 |
0 |
0 |
0.145 |
23 |
29 |
|
[SO4]B:605 |
5 |
1 |
184 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
20324 |
53.5 |
-5.7 |
0.957 |
3 |
0 |
0 |
0.134 |
24 |
30 |
|
D |
7 |
3 |
20118 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
20340 |
47.2 |
-0.6 |
0.442 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[CHT]C:601 |
3 |
1 |
259 |
f |
C |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
20340 |
33.6 |
0.5 |
0.161 |
0 |
0 |
0 |
0.000 |
32 |
|
[CHT]B:601 |
2 |
1 |
258 |
f |
B |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
20324 |
10.0 |
0.2 |
0.430 |
0 |
0 |
0 |
0.000 |
Average: |
21.8 |
0.3 |
0.296 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[CHT]A:601 |
3 |
1 |
258 |
f |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
20678 |
32.9 |
0.5 |
0.154 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[MG]D:1001 |
1 |
1 |
98 |
f |
[CHT]D:1000 |
x,y,z |
1_555 |
1 |
1 |
262 |
14.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.057 |
28 |
35 |
|
[CHT]D:1000 |
2 |
1 |
262 |
f |
D |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
20118 |
8.3 |
0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
|