| ## |
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 |
|
C |
66 |
17 |
15293 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
15287 |
594.6 |
0.3 |
0.541 |
12 |
4 |
0 |
0.000 |
| 2 |
2 |
|
B |
59 |
15 |
15279 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
63 |
17 |
15287 |
572.9 |
1.9 |
0.458 |
9 |
7 |
0 |
0.000 |
3 |
|
B |
62 |
16 |
15279 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
15287 |
554.6 |
0.2 |
0.398 |
9 |
7 |
0 |
0.000 |
| Average: |
563.7 |
1.0 |
0.428 |
9 |
7 |
0 |
0.000 |
| 3 |
4 |
|
A |
58 |
17 |
15287 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
55 |
18 |
15279 |
557.3 |
5.1 |
0.859 |
10 |
14 |
0 |
0.000 |
| 4 |
5 |
|
A |
46 |
13 |
15287 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
55 |
12 |
15287 |
416.7 |
-0.3 |
0.525 |
6 |
3 |
0 |
0.000 |
| 5 |
6 |
|
[6EZ]A:404 |
25 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
59 |
24 |
15287 |
371.4 |
-2.6 |
0.176 |
4 |
0 |
0 |
0.012 |
7 |
|
[6EZ]B:404 |
25 |
1 |
546 |
f |
B |
x,y,z |
1_555 |
59 |
23 |
15279 |
370.3 |
-2.8 |
0.165 |
4 |
0 |
0 |
0.012 |
8 |
|
[6EZ]C:404 |
25 |
1 |
549 |
f |
C |
x,y,z |
1_555 |
60 |
24 |
15293 |
369.7 |
-2.8 |
0.153 |
5 |
0 |
0 |
0.012 |
| Average: |
370.5 |
-2.8 |
0.165 |
4 |
0 |
0 |
0.012 |
| 6 |
9 |
|
C |
46 |
11 |
15293 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
15279 |
337.1 |
-1.2 |
0.416 |
5 |
0 |
0 |
0.000 |
| 7 |
10 |
|
C |
25 |
6 |
15293 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
8 |
15279 |
239.8 |
-1.1 |
0.327 |
2 |
1 |
0 |
0.000 |
| 8 |
11 |
|
C |
29 |
8 |
15293 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
26 |
8 |
15279 |
215.0 |
3.3 |
0.837 |
1 |
5 |
0 |
0.000 |
| 9 |
12 |
|
[PGE]B:414 |
10 |
1 |
330 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
15279 |
213.8 |
5.3 |
0.341 |
3 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[PGE]A:410 |
10 |
1 |
329 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
15287 |
198.3 |
5.2 |
0.340 |
2 |
0 |
0 |
0.000 |
14 |
|
[PGE]B:412 |
10 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
15279 |
197.2 |
6.2 |
0.406 |
1 |
0 |
0 |
0.000 |
| Average: |
197.8 |
5.7 |
0.373 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
C |
22 |
7 |
15293 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
6 |
15279 |
186.4 |
-1.0 |
0.362 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
29 |
7 |
15279 |
x |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
17 |
4 |
15279 |
177.5 |
2.0 |
0.770 |
3 |
1 |
0 |
0.000 |
| 13 |
17 |
|
[PGE]B:411 |
10 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
15279 |
173.1 |
5.6 |
0.345 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[PGE]A:409 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
15287 |
170.3 |
5.3 |
0.335 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[PG4]A:407 |
12 |
1 |
404 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
15287 |
170.2 |
4.1 |
0.322 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
C |
19 |
5 |
15293 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
17 |
4 |
15287 |
164.7 |
-0.9 |
0.398 |
3 |
1 |
0 |
0.000 |
| 17 |
21 |
|
[PGE]C:408 |
10 |
1 |
339 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
15293 |
163.0 |
4.0 |
0.233 |
1 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[PGE]B:413 |
10 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
15279 |
159.9 |
4.8 |
0.215 |
3 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[PG5]B:409 |
12 |
1 |
409 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
15279 |
159.8 |
5.0 |
0.060 |
4 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[PG5]B:408 |
11 |
1 |
408 |
◊ |
B |
x,y,z |
1_555 |
26 |
5 |
15279 |
154.1 |
5.0 |
0.091 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[PG5]A:408 |
12 |
1 |
406 |
◊ |
A |
x,y,z |
1_555 |
26 |
6 |
15287 |
150.8 |
4.4 |
0.060 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[PGE]C:409 |
8 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
21 |
5 |
15293 |
141.2 |
4.4 |
0.342 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[PGE]B:410 |
9 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
23 |
6 |
15279 |
138.7 |
3.8 |
0.273 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[PG5]B:409 |
12 |
1 |
409 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
15293 |
118.3 |
2.9 |
0.024 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[PEG]A:405 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15287 |
115.6 |
2.1 |
0.242 |
0 |
0 |
0 |
0.000 |
30 |
|
[PEG]B:406 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
15279 |
109.4 |
1.4 |
0.185 |
0 |
0 |
0 |
0.000 |
| Average: |
112.5 |
1.7 |
0.213 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[PEG]B:407 |
6 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
15279 |
115.5 |
1.5 |
0.201 |
1 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[PEG]C:406 |
6 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
19 |
5 |
15293 |
106.3 |
3.2 |
0.393 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[PEG]A:406 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15287 |
104.7 |
4.2 |
0.417 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[PG4]C:407 |
6 |
1 |
418 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
15293 |
99.5 |
4.1 |
0.553 |
1 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[PG4]C:407 |
12 |
1 |
418 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15279 |
94.9 |
2.9 |
0.265 |
2 |
0 |
0 |
0.000 |
| 31 |
36 |
|
A |
9 |
6 |
15287 |
◊ |
[PGE]B:411 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
337 |
94.4 |
2.3 |
0.196 |
1 |
0 |
0 |
0.000 |
| 32 |
37 |
|
C |
14 |
7 |
15293 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
11 |
6 |
15293 |
83.6 |
-0.7 |
0.406 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[EDO]B:405 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
15279 |
79.0 |
2.5 |
0.283 |
2 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[PGE]C:408 |
8 |
1 |
339 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
15279 |
72.1 |
1.3 |
0.091 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[EDO]C:405 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
15293 |
65.8 |
2.3 |
0.474 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
C |
8 |
3 |
15293 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
15287 |
60.9 |
0.8 |
0.691 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
A |
7 |
2 |
15287 |
◊ |
[PGE]B:410 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
332 |
56.5 |
1.7 |
0.290 |
1 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
15293 |
47.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.032 |
44 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15287 |
47.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.032 |
45 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
15279 |
46.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
47.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 39 |
46 |
|
B |
4 |
1 |
15279 |
f |
[PEG]B:407 |
-x+2,y-1/2,-z-1/2 |
3_744 |
3 |
1 |
263 |
39.6 |
0.4 |
0.156 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
C |
4 |
2 |
15293 |
◊ |
[PEG]B:407 |
-x+2,y-1/2,-z-1/2 |
3_744 |
6 |
1 |
263 |
39.0 |
1.1 |
0.206 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15287 |
36.3 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.064 |
49 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
15293 |
36.0 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.064 |
50 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
15279 |
36.0 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
36.1 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| 42 |
51 |
|
C |
4 |
2 |
15293 |
f |
[PGE]B:412 |
x-1,y,z |
1_455 |
5 |
1 |
338 |
36.0 |
0.1 |
0.141 |
1 |
0 |
0 |
0.000 |
| 43 |
52 |
|
B |
3 |
2 |
15279 |
f |
[PG4]A:407 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
404 |
35.9 |
0.5 |
0.172 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[6EZ]C:404 |
4 |
1 |
549 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.038 |
54 |
|
[6EZ]A:404 |
4 |
1 |
547 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.038 |
55 |
|
[6EZ]B:404 |
4 |
1 |
546 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
31.5 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.038 |
| 45 |
56 |
|
[PG5]A:408 |
5 |
1 |
406 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
15279 |
31.6 |
1.2 |
0.104 |
0 |
0 |
0 |
0.000 |
| 46 |
57 |
|
[PGE]B:413 |
6 |
1 |
338 |
f |
[PG5]B:408 |
x,y,z |
1_555 |
4 |
1 |
408 |
26.8 |
1.6 |
0.032 |
0 |
0 |
0 |
0.000 |
| 47 |
58 |
|
[PG5]B:409 |
2 |
1 |
409 |
f |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
4 |
1 |
15279 |
26.7 |
0.5 |
0.211 |
0 |
0 |
0 |
0.000 |
| 48 |
59 |
|
[PG5]B:408 |
3 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15287 |
25.8 |
0.4 |
0.090 |
0 |
0 |
0 |
0.000 |
| 49 |
60 |
|
[PGE]C:408 |
3 |
1 |
339 |
f |
[PG5]B:408 |
x,y,z |
1_555 |
1 |
1 |
408 |
24.9 |
0.9 |
0.215 |
0 |
0 |
0 |
0.000 |
| 50 |
61 |
|
[PGE]B:411 |
4 |
1 |
337 |
f |
[PGE]B:410 |
x,y,z |
1_555 |
2 |
1 |
332 |
24.2 |
0.9 |
0.124 |
0 |
0 |
0 |
0.000 |
| 51 |
62 |
|
[PG5]B:409 |
2 |
1 |
409 |
◊ |
[PEG]B:407 |
-x+2,y-1/2,-z-1/2 |
3_744 |
3 |
1 |
263 |
22.0 |
1.4 |
0.152 |
0 |
0 |
0 |
0.000 |
| 52 |
63 |
|
[PGE]B:414 |
1 |
1 |
330 |
f |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
1 |
1 |
15279 |
10.6 |
0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
| 53 |
64 |
|
[PG5]B:408 |
1 |
1 |
408 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15293 |
1.3 |
0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
|