## |
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 |
77 |
19 |
20232 |
◊ |
A |
-x,y,-z |
2_555 |
76 |
19 |
20232 |
668.5 |
-4.0 |
0.374 |
6 |
6 |
0 |
0.000 |
2 |
|
B |
74 |
17 |
20491 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
75 |
17 |
20491 |
631.3 |
-6.1 |
0.161 |
4 |
4 |
0 |
0.000 |
Average: |
649.9 |
-5.1 |
0.267 |
5 |
5 |
0 |
0.000 |
2 |
3 |
|
B |
63 |
20 |
20491 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
81 |
33 |
20491 |
590.4 |
2.6 |
0.702 |
7 |
2 |
0 |
0.000 |
4 |
|
A |
58 |
19 |
20232 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
78 |
31 |
20232 |
561.0 |
1.9 |
0.684 |
7 |
2 |
0 |
0.000 |
Average: |
575.7 |
2.2 |
0.693 |
7 |
2 |
0 |
0.000 |
3 |
5 |
|
B |
29 |
11 |
20491 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
20232 |
215.3 |
0.0 |
0.606 |
1 |
4 |
0 |
0.000 |
4 |
6 |
|
[PGE]A:612 |
10 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
41 |
16 |
20232 |
213.5 |
4.5 |
0.347 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[PG4]B:623 |
13 |
1 |
402 |
◊ |
B |
x,y,z |
1_555 |
31 |
13 |
20491 |
210.7 |
5.0 |
0.347 |
5 |
0 |
0 |
0.000 |
6 |
8 |
|
[PGE]A:611 |
10 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
20232 |
196.5 |
4.3 |
0.287 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
[PGE]B:622 |
10 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
20491 |
196.2 |
6.0 |
0.369 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
[PGE]A:614 |
10 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
20232 |
186.4 |
4.9 |
0.320 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[PG4]B:624 |
13 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
20491 |
172.1 |
1.6 |
0.142 |
4 |
0 |
0 |
0.000 |
10 |
12 |
|
[PGE]A:615 |
10 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
20232 |
163.2 |
4.6 |
0.307 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[PGE]B:621 |
9 |
1 |
318 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
20491 |
161.7 |
5.5 |
0.380 |
4 |
0 |
0 |
0.000 |
12 |
14 |
|
[PGE]A:610 |
9 |
1 |
325 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
20232 |
160.0 |
4.8 |
0.389 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[PEG]B:616 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
21 |
11 |
20491 |
155.5 |
4.6 |
0.479 |
5 |
0 |
0 |
0.000 |
14 |
16 |
|
[PEG]A:604 |
7 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
20232 |
155.3 |
3.9 |
0.437 |
3 |
0 |
0 |
0.000 |
15 |
17 |
|
[PGE]B:620 |
9 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
20491 |
148.6 |
4.2 |
0.282 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
[PGE]A:613 |
10 |
1 |
330 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
20232 |
128.2 |
3.4 |
0.208 |
3 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]B:604 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
20491 |
121.3 |
2.3 |
0.321 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:602 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
20491 |
117.6 |
3.5 |
0.439 |
3 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]B:606 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
20491 |
115.9 |
2.9 |
0.373 |
3 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]A:601 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
20232 |
112.9 |
3.4 |
0.435 |
5 |
0 |
0 |
0.000 |
21 |
23 |
|
B |
15 |
5 |
20491 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
7 |
20232 |
112.7 |
0.0 |
0.494 |
2 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]B:605 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20491 |
112.3 |
3.5 |
0.537 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]B:612 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20491 |
109.9 |
3.1 |
0.331 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[PEG]B:615 |
7 |
1 |
259 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
7 |
20491 |
109.5 |
1.1 |
0.191 |
4 |
0 |
0 |
0.000 |
25 |
27 |
|
[EDO]B:603 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
20491 |
109.4 |
2.9 |
0.438 |
1 |
0 |
0 |
0.000 |
26 |
28 |
|
[PEG]B:617 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20491 |
108.7 |
2.7 |
0.269 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[EDO]B:609 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20491 |
104.0 |
2.4 |
0.409 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[EDO]B:601 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20491 |
102.3 |
3.6 |
0.490 |
6 |
0 |
0 |
0.000 |
29 |
31 |
|
[PEG]B:615 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
20491 |
102.2 |
3.8 |
0.450 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]B:610 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
20491 |
101.6 |
4.2 |
0.569 |
2 |
0 |
0 |
0.000 |
31 |
33 |
|
[PGE]A:610 |
9 |
1 |
325 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
18 |
7 |
20232 |
101.0 |
2.9 |
0.231 |
1 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:602 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
20232 |
98.8 |
3.6 |
0.490 |
2 |
0 |
0 |
0.000 |
33 |
35 |
|
[EDO]B:608 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
9 |
20491 |
95.3 |
1.9 |
0.247 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]B:614 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
20491 |
88.6 |
1.7 |
0.185 |
1 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]B:613 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
20491 |
81.1 |
0.4 |
0.076 |
2 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]B:607 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
7 |
20491 |
77.2 |
2.4 |
0.287 |
1 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]A:603 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20232 |
73.7 |
1.7 |
0.212 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[EDO]B:611 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
20491 |
71.0 |
1.4 |
0.184 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[CL]A:605 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20232 |
68.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.078 |
40 |
42 |
|
[CL]A:608 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
20232 |
66.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.093 |
41 |
43 |
|
[CL]A:606 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20232 |
62.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.079 |
42 |
44 |
|
[CL]A:607 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20232 |
61.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.083 |
43 |
45 |
|
[EDO]B:611 |
4 |
1 |
186 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
5 |
20491 |
58.6 |
1.5 |
0.748 |
1 |
0 |
0 |
0.000 |
44 |
46 |
|
[CL]B:619 |
1 |
1 |
125 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
4 |
20491 |
54.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[PGE]B:622 |
7 |
1 |
334 |
f |
[EDO]B:613 |
x,y,z |
1_555 |
4 |
1 |
185 |
53.7 |
2.5 |
0.205 |
1 |
0 |
0 |
0.000 |
46 |
48 |
|
[CL]A:609 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20232 |
46.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.050 |
47 |
49 |
|
[PG4]B:623 |
7 |
1 |
402 |
f |
[PGE]B:620 |
x,y,z |
1_555 |
2 |
1 |
328 |
46.1 |
2.2 |
0.210 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
[CL]B:619 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
20491 |
39.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
A |
5 |
2 |
20232 |
◊ |
[CL]A:607 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
38.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[CL]B:618 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20491 |
38.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[EDO]B:611 |
3 |
1 |
186 |
◊ |
[PEG]B:616 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
259 |
34.1 |
1.0 |
0.452 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[EDO]B:613 |
3 |
1 |
185 |
f |
[EDO]B:606 |
x,y,z |
1_555 |
4 |
1 |
184 |
32.8 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
[PGE]A:612 |
2 |
1 |
308 |
f |
[PGE]A:611 |
x,y,z |
1_555 |
6 |
1 |
329 |
32.0 |
1.0 |
0.089 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[PGE]A:614 |
4 |
1 |
326 |
f |
[CL]A:608 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.022 |
55 |
57 |
|
[EDO]B:607 |
2 |
1 |
185 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
20491 |
29.2 |
1.0 |
0.880 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[PGE]B:621 |
3 |
1 |
318 |
f |
[EDO]B:605 |
x,y,z |
1_555 |
2 |
1 |
185 |
28.6 |
1.4 |
0.355 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
[EDO]B:612 |
2 |
1 |
183 |
f |
[EDO]B:604 |
x,y,z |
1_555 |
3 |
1 |
184 |
24.4 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
58 |
60 |
|
[PG4]B:623 |
2 |
1 |
402 |
f |
[EDO]B:608 |
x,y,z |
1_555 |
3 |
1 |
183 |
20.8 |
1.2 |
0.522 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[EDO]B:614 |
3 |
1 |
186 |
f |
[EDO]B:604 |
x,y,z |
1_555 |
2 |
1 |
184 |
20.1 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[PGE]B:621 |
2 |
1 |
318 |
f |
[CL]B:618 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[PG4]B:623 |
4 |
1 |
402 |
f |
[EDO]B:603 |
x,y,z |
1_555 |
1 |
1 |
184 |
17.7 |
0.7 |
0.448 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
[CL]B:618 |
1 |
1 |
125 |
f |
[EDO]B:605 |
x,y,z |
1_555 |
2 |
1 |
185 |
16.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[PGE]B:620 |
2 |
1 |
328 |
f |
[EDO]B:608 |
x,y,z |
1_555 |
2 |
1 |
183 |
8.4 |
0.0 |
0.265 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[EDO]A:602 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
20491 |
7.7 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[EDO]B:603 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
20232 |
7.7 |
0.3 |
0.902 |
0 |
0 |
0 |
0.000 |
66 |
68 |
|
B |
1 |
1 |
20491 |
f |
[PEG]B:616 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
259 |
0.7 |
-0.0 |
0.441 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
[CL]A:606 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
20232 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
70 |
|
[PGE]B:621 |
1 |
1 |
318 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
20491 |
0.3 |
0.0 |
0.263 |
0 |
0 |
0 |
0.000 |
|