## |
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 |
95 |
23 |
20081 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
95 |
24 |
20331 |
962.3 |
-11.1 |
0.096 |
13 |
7 |
0 |
0.791 |
2 |
2 |
|
[FW8]A:610 |
45 |
1 |
891 |
f |
A |
x,y,z |
1_555 |
99 |
31 |
20081 |
612.9 |
-10.2 |
0.426 |
0 |
0 |
0 |
0.885 |
3 |
|
[FW8]B:609 |
45 |
1 |
890 |
f |
B |
x,y,z |
1_555 |
97 |
32 |
20331 |
610.4 |
-9.9 |
0.444 |
0 |
0 |
0 |
0.885 |
Average: |
611.7 |
-10.0 |
0.435 |
0 |
0 |
0 |
0.885 |
3 |
4 |
|
B |
61 |
22 |
20331 |
◊ |
A |
x-1/2,-y+7/2,-z+1 |
4_486 |
44 |
17 |
20081 |
473.9 |
2.3 |
0.857 |
3 |
3 |
0 |
0.000 |
5 |
|
A |
57 |
20 |
20081 |
◊ |
B |
x-1/2,-y+7/2,-z+1 |
4_486 |
48 |
17 |
20331 |
447.4 |
0.8 |
0.752 |
3 |
2 |
0 |
0.000 |
Average: |
460.6 |
1.5 |
0.804 |
3 |
3 |
0 |
0.000 |
4 |
6 |
|
B |
23 |
7 |
20331 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
20081 |
219.2 |
0.9 |
0.705 |
4 |
2 |
0 |
0.000 |
5 |
7 |
|
[PGE]A:611 |
10 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
20081 |
163.8 |
3.0 |
0.173 |
0 |
0 |
0 |
0.000 |
8 |
|
[PGE]B:611 |
10 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
20331 |
162.2 |
2.9 |
0.171 |
1 |
0 |
0 |
0.000 |
Average: |
163.0 |
3.0 |
0.172 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
[GOL]B:606 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
20331 |
138.2 |
0.3 |
0.661 |
3 |
0 |
0 |
0.043 |
7 |
10 |
|
[GOL]A:607 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
20081 |
136.9 |
0.5 |
0.651 |
5 |
0 |
0 |
0.077 |
8 |
11 |
|
[SO4]A:612 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
20081 |
105.5 |
-14.5 |
0.893 |
2 |
0 |
0 |
0.677 |
9 |
12 |
|
[PEG]A:606 |
7 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20081 |
103.8 |
2.3 |
0.266 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[NAG]B:603 |
7 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
20331 |
100.6 |
2.9 |
0.562 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:602 |
7 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
20081 |
100.0 |
3.1 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
100.3 |
3.0 |
0.564 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[MES]B:612 |
8 |
1 |
340 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20331 |
98.9 |
1.5 |
0.056 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]A:608 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
20081 |
92.3 |
2.5 |
0.280 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]B:605 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20331 |
90.5 |
1.7 |
0.226 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]A:604 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20081 |
85.9 |
2.7 |
0.292 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[NAG]B:601 |
8 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
20331 |
85.2 |
2.9 |
0.477 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]A:601 |
9 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
20081 |
84.4 |
2.8 |
0.409 |
0 |
0 |
0 |
0.000 |
Average: |
84.8 |
2.9 |
0.443 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]B:608 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20331 |
81.5 |
2.8 |
0.445 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[NAG]B:604 |
7 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
20331 |
78.0 |
2.7 |
0.492 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]B:607 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
20331 |
77.7 |
1.7 |
0.240 |
2 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:609 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20081 |
77.0 |
2.8 |
0.447 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]B:613 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20331 |
72.9 |
1.3 |
0.741 |
4 |
0 |
0 |
0.019 |
21 |
26 |
|
[NAG]B:602 |
8 |
1 |
362 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
7 |
1 |
357 |
72.7 |
1.7 |
0.088 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
[CL]B:610 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
20331 |
71.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.364 |
23 |
28 |
|
[EDO]A:605 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
20081 |
69.1 |
1.3 |
0.748 |
2 |
0 |
0 |
0.000 |
24 |
29 |
|
[NAG]A:603 |
8 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
20081 |
68.7 |
2.1 |
0.369 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[FW8]B:609 |
4 |
1 |
890 |
◊ |
A |
x-1/2,-y+7/2,-z+1 |
4_486 |
7 |
2 |
20081 |
47.0 |
0.4 |
0.810 |
0 |
0 |
0 |
0.000 |
31 |
|
[FW8]A:610 |
4 |
1 |
891 |
◊ |
B |
x-1/2,-y+7/2,-z+1 |
4_486 |
8 |
3 |
20331 |
33.5 |
0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
Average: |
40.2 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[NAG]B:602 |
3 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20331 |
42.5 |
1.4 |
0.607 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[EDO]B:605 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20081 |
40.3 |
1.2 |
0.905 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
[EDO]B:608 |
4 |
1 |
185 |
f |
[EDO]B:607 |
x,y,z |
1_555 |
3 |
1 |
184 |
33.7 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[EDO]A:605 |
2 |
1 |
183 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
20331 |
29.0 |
0.9 |
0.848 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
[GOL]A:607 |
3 |
1 |
220 |
f |
[EDO]A:604 |
x,y,z |
1_555 |
2 |
1 |
184 |
22.7 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[EDO]A:604 |
2 |
1 |
184 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20331 |
21.9 |
0.5 |
0.692 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
A |
3 |
1 |
20081 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
20331 |
15.1 |
0.3 |
0.799 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[EDO]B:605 |
1 |
1 |
182 |
f |
[EDO]A:608 |
x,y,z |
1_555 |
3 |
1 |
184 |
11.7 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[EDO]A:608 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20331 |
8.0 |
0.2 |
0.927 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
A |
1 |
1 |
20081 |
◊ |
[NAG]B:603 |
x-1/2,-y+7/2,-z+1 |
4_486 |
2 |
1 |
362 |
3.9 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
42 |
|
B |
1 |
1 |
20331 |
◊ |
[NAG]A:602 |
x-1/2,-y+7/2,-z+1 |
4_486 |
2 |
1 |
362 |
0.7 |
0.0 |
0.379 |
0 |
0 |
0 |
0.000 |
Average: |
2.3 |
0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[EDO]B:613 |
1 |
1 |
182 |
f |
[NAG]B:603 |
x,y,z |
1_555 |
2 |
1 |
362 |
3.0 |
0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
|