## |
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 |
|
F |
68 |
23 |
11979 |
◊ |
E |
x,y,z |
1_555 |
79 |
20 |
12136 |
672.4 |
-6.1 |
0.290 |
10 |
1 |
0 |
0.247 |
2 |
|
C |
80 |
20 |
12058 |
◊ |
A |
x,y,z |
1_555 |
65 |
23 |
13066 |
657.1 |
-5.4 |
0.308 |
11 |
2 |
0 |
0.247 |
3 |
|
C |
66 |
24 |
12058 |
◊ |
B |
x,y,z |
1_555 |
76 |
20 |
12211 |
643.6 |
-5.8 |
0.279 |
9 |
0 |
0 |
0.247 |
4 |
|
E |
66 |
23 |
12136 |
◊ |
D |
x,y,z |
1_555 |
76 |
20 |
12053 |
637.6 |
-5.9 |
0.304 |
10 |
2 |
0 |
0.247 |
5 |
|
B |
67 |
24 |
12211 |
◊ |
A |
x,y,z |
1_555 |
76 |
20 |
13066 |
632.9 |
-4.9 |
0.338 |
10 |
1 |
0 |
0.247 |
6 |
|
F |
73 |
20 |
11979 |
◊ |
D |
x,y,z |
1_555 |
68 |
24 |
12053 |
624.2 |
-6.4 |
0.289 |
9 |
0 |
0 |
0.247 |
Average: |
644.6 |
-5.7 |
0.301 |
10 |
1 |
0 |
0.247 |
2 |
7 |
|
D |
74 |
21 |
12053 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
74 |
22 |
12058 |
662.3 |
-10.5 |
0.105 |
0 |
0 |
0 |
0.000 |
3 |
8 |
|
F |
47 |
13 |
11979 |
◊ |
B |
x,y,z |
1_555 |
46 |
13 |
12211 |
490.0 |
-0.1 |
0.686 |
13 |
8 |
0 |
0.076 |
9 |
|
D |
47 |
12 |
12053 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
13066 |
484.3 |
-1.1 |
0.629 |
12 |
8 |
0 |
0.076 |
10 |
|
E |
47 |
12 |
12136 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12058 |
473.2 |
-2.0 |
0.542 |
12 |
8 |
0 |
0.076 |
Average: |
482.5 |
-1.1 |
0.619 |
12 |
8 |
0 |
0.076 |
4 |
11 |
|
E |
42 |
11 |
12136 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
42 |
15 |
12211 |
354.0 |
-2.4 |
0.479 |
3 |
0 |
0 |
0.000 |
5 |
12 |
|
F |
44 |
17 |
11979 |
◊ |
A |
x,y-1,z |
1_545 |
29 |
5 |
13066 |
318.9 |
-2.7 |
0.428 |
3 |
1 |
0 |
0.000 |
6 |
13 |
|
[AGP]B:3298 |
15 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
46 |
22 |
12211 |
263.6 |
-3.4 |
0.566 |
11 |
0 |
0 |
0.075 |
14 |
|
[AGP]D:5298 |
16 |
1 |
396 |
f |
D |
x,y,z |
1_555 |
47 |
23 |
12053 |
260.8 |
-3.9 |
0.582 |
13 |
0 |
0 |
0.075 |
Average: |
262.2 |
-3.7 |
0.574 |
12 |
0 |
0 |
0.075 |
7 |
15 |
|
[AGP]C:4298 |
16 |
1 |
392 |
f |
C |
x,y,z |
1_555 |
50 |
23 |
12058 |
262.7 |
-4.0 |
0.525 |
9 |
0 |
0 |
0.058 |
8 |
16 |
|
[AGP]E:6298 |
16 |
1 |
405 |
f |
E |
x,y,z |
1_555 |
48 |
22 |
12136 |
253.2 |
-3.4 |
0.602 |
11 |
0 |
0 |
0.065 |
9 |
17 |
|
[AGP]F:7298 |
16 |
1 |
402 |
f |
F |
x,y,z |
1_555 |
44 |
22 |
11979 |
252.1 |
-3.1 |
0.621 |
11 |
0 |
0 |
0.062 |
18 |
|
[AGP]A:2298 |
16 |
1 |
390 |
f |
A |
x,y,z |
1_555 |
47 |
22 |
13066 |
247.3 |
-3.1 |
0.548 |
12 |
0 |
0 |
0.062 |
Average: |
249.7 |
-3.1 |
0.585 |
12 |
0 |
0 |
0.062 |
10 |
19 |
|
E |
21 |
10 |
12136 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
13066 |
216.5 |
-6.0 |
0.031 |
0 |
0 |
0 |
0.061 |
20 |
|
F |
19 |
7 |
11979 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
12058 |
200.2 |
-7.5 |
0.007 |
0 |
0 |
0 |
0.061 |
21 |
|
D |
19 |
8 |
12053 |
◊ |
B |
x,y,z |
1_555 |
19 |
10 |
12211 |
188.9 |
-5.2 |
0.046 |
0 |
0 |
0 |
0.061 |
Average: |
201.8 |
-6.2 |
0.028 |
0 |
0 |
0 |
0.061 |
11 |
22 |
|
F |
24 |
8 |
11979 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
23 |
6 |
13066 |
214.0 |
-1.4 |
0.492 |
2 |
0 |
0 |
0.000 |
12 |
23 |
|
C |
21 |
8 |
12058 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
9 |
13066 |
201.5 |
0.3 |
0.657 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
[16G]F:6299 |
16 |
1 |
437 |
f |
F |
x,y,z |
1_555 |
24 |
10 |
11979 |
184.7 |
0.8 |
0.576 |
8 |
0 |
0 |
0.067 |
25 |
|
[16G]A:4299 |
15 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
13066 |
184.2 |
0.8 |
0.560 |
9 |
0 |
0 |
0.067 |
26 |
|
[16G]C:3299 |
16 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
12058 |
184.0 |
0.9 |
0.566 |
9 |
0 |
0 |
0.067 |
27 |
|
[16G]E:5299 |
15 |
1 |
436 |
f |
E |
x,y,z |
1_555 |
23 |
10 |
12136 |
183.9 |
0.6 |
0.551 |
8 |
0 |
0 |
0.067 |
28 |
|
[16G]D:7299 |
16 |
1 |
436 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
12053 |
183.2 |
0.8 |
0.557 |
8 |
0 |
0 |
0.067 |
29 |
|
[16G]B:2299 |
16 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
12211 |
182.8 |
0.6 |
0.563 |
8 |
0 |
0 |
0.067 |
Average: |
183.8 |
0.7 |
0.562 |
8 |
0 |
0 |
0.067 |
14 |
30 |
|
[16G]F:6299 |
16 |
1 |
437 |
◊ |
E |
x,y,z |
1_555 |
17 |
7 |
12136 |
162.4 |
0.1 |
0.466 |
2 |
0 |
0 |
0.024 |
31 |
|
[16G]A:4299 |
16 |
1 |
437 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
12058 |
161.5 |
-0.0 |
0.454 |
2 |
0 |
0 |
0.024 |
32 |
|
[16G]C:3299 |
16 |
1 |
436 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
12211 |
160.9 |
-0.1 |
0.438 |
2 |
0 |
0 |
0.024 |
33 |
|
[16G]D:7299 |
16 |
1 |
436 |
◊ |
F |
x,y,z |
1_555 |
19 |
9 |
11979 |
159.7 |
-0.1 |
0.433 |
2 |
0 |
0 |
0.024 |
34 |
|
[16G]B:2299 |
16 |
1 |
437 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
13066 |
158.9 |
-0.5 |
0.336 |
2 |
0 |
0 |
0.024 |
35 |
|
[16G]E:5299 |
17 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
12053 |
156.0 |
0.1 |
0.446 |
2 |
0 |
0 |
0.024 |
Average: |
159.9 |
-0.1 |
0.429 |
2 |
0 |
0 |
0.024 |
15 |
36 |
|
[GLC]B:295 |
9 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
12211 |
116.5 |
3.0 |
0.457 |
2 |
0 |
0 |
0.000 |
37 |
|
[GLC]F:295 |
9 |
1 |
291 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
11979 |
115.8 |
2.8 |
0.449 |
1 |
0 |
0 |
0.000 |
38 |
|
[GLC]D:295 |
9 |
1 |
295 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
12053 |
115.0 |
3.0 |
0.462 |
2 |
0 |
0 |
0.000 |
39 |
|
[GLC]E:295 |
9 |
1 |
292 |
f |
E |
x,y,z |
1_555 |
19 |
7 |
12136 |
114.8 |
2.9 |
0.457 |
2 |
0 |
0 |
0.000 |
40 |
|
[GLC]C:295 |
9 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
12058 |
114.8 |
3.1 |
0.493 |
2 |
0 |
0 |
0.000 |
41 |
|
[GLC]A:295 |
9 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
13066 |
113.7 |
2.9 |
0.480 |
2 |
0 |
0 |
0.000 |
Average: |
115.1 |
3.0 |
0.466 |
2 |
0 |
0 |
0.000 |
16 |
42 |
|
D |
17 |
7 |
12053 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
12211 |
101.6 |
0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
43 |
|
F |
6 |
3 |
11979 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
16 |
8 |
12058 |
91.5 |
0.7 |
0.776 |
0 |
0 |
0 |
0.000 |
Average: |
96.5 |
0.6 |
0.751 |
0 |
0 |
0 |
0.000 |
17 |
44 |
|
[GLC]C:294 |
8 |
1 |
303 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
12058 |
93.8 |
1.7 |
0.440 |
0 |
0 |
0 |
0.000 |
45 |
|
[GLC]D:294 |
8 |
1 |
305 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
12053 |
92.8 |
1.6 |
0.437 |
0 |
0 |
0 |
0.000 |
46 |
|
[GLC]F:294 |
8 |
1 |
305 |
f |
F |
x,y,z |
1_555 |
14 |
4 |
11979 |
92.7 |
1.6 |
0.439 |
0 |
0 |
0 |
0.000 |
47 |
|
[GLC]E:294 |
8 |
1 |
303 |
f |
E |
x,y,z |
1_555 |
14 |
4 |
12136 |
91.8 |
1.7 |
0.416 |
0 |
0 |
0 |
0.000 |
48 |
|
[GLC]A:294 |
8 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
13066 |
91.5 |
1.5 |
0.411 |
0 |
0 |
0 |
0.000 |
49 |
|
[GLC]B:294 |
8 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
12211 |
91.1 |
1.6 |
0.429 |
0 |
0 |
0 |
0.000 |
Average: |
92.3 |
1.6 |
0.429 |
0 |
0 |
0 |
0.000 |
18 |
50 |
|
[SO4]F:7296 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
20 |
14 |
11979 |
88.1 |
-11.5 |
0.878 |
6 |
0 |
0 |
0.110 |
19 |
51 |
|
D |
10 |
6 |
12053 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
5 |
12058 |
84.3 |
-0.7 |
0.494 |
0 |
0 |
0 |
0.000 |
20 |
52 |
|
[SO4]A:2296 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
13066 |
83.6 |
-12.2 |
0.804 |
4 |
0 |
0 |
0.112 |
53 |
|
[SO4]D:5296 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
12053 |
78.1 |
-11.2 |
0.846 |
7 |
0 |
0 |
0.112 |
Average: |
80.8 |
-11.7 |
0.825 |
6 |
0 |
0 |
0.112 |
21 |
54 |
|
[SO4]B:3296 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
12211 |
83.5 |
-10.9 |
0.841 |
6 |
0 |
0 |
0.098 |
22 |
55 |
|
[SO4]E:6296 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
16 |
11 |
12136 |
83.3 |
-11.5 |
0.835 |
7 |
0 |
0 |
0.114 |
23 |
56 |
|
[SO4]C:4296 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
12058 |
77.5 |
-12.0 |
0.639 |
6 |
0 |
0 |
0.106 |
24 |
57 |
|
[SO4]C:4297 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12058 |
76.4 |
-10.0 |
0.877 |
2 |
0 |
0 |
0.079 |
25 |
58 |
|
[AGP]E:6298 |
8 |
1 |
405 |
f |
[SO4]E:6296 |
x,y,z |
1_555 |
5 |
1 |
186 |
75.0 |
-11.9 |
0.626 |
0 |
0 |
0 |
0.093 |
26 |
59 |
|
[AGP]C:4298 |
8 |
1 |
392 |
f |
[SO4]C:4296 |
x,y,z |
1_555 |
5 |
1 |
186 |
74.2 |
-12.2 |
0.590 |
0 |
0 |
0 |
0.089 |
27 |
60 |
|
[AGP]A:2298 |
7 |
1 |
390 |
f |
[SO4]A:2296 |
x,y,z |
1_555 |
5 |
1 |
188 |
74.0 |
-11.4 |
0.541 |
0 |
0 |
0 |
0.083 |
28 |
61 |
|
[AGP]B:3298 |
6 |
1 |
394 |
f |
[SO4]B:3296 |
x,y,z |
1_555 |
5 |
1 |
187 |
73.1 |
-12.2 |
0.554 |
0 |
0 |
0 |
0.092 |
62 |
|
[AGP]D:5298 |
7 |
1 |
396 |
f |
[SO4]D:5296 |
x,y,z |
1_555 |
5 |
1 |
186 |
71.0 |
-11.8 |
0.605 |
0 |
0 |
0 |
0.092 |
Average: |
72.0 |
-12.0 |
0.579 |
0 |
0 |
0 |
0.092 |
29 |
63 |
|
[AGP]F:7298 |
8 |
1 |
402 |
f |
[SO4]F:7296 |
x,y,z |
1_555 |
5 |
1 |
187 |
72.0 |
-11.4 |
0.603 |
0 |
0 |
0 |
0.089 |
30 |
64 |
|
[GLC]D:295 |
6 |
1 |
295 |
cf |
[GLC]D:294 |
x,y,z |
1_555 |
6 |
1 |
305 |
61.9 |
2.4 |
0.265 |
0 |
0 |
0 |
0.000 |
65 |
|
[GLC]B:295 |
6 |
1 |
293 |
cf |
[GLC]B:294 |
x,y,z |
1_555 |
6 |
1 |
304 |
61.8 |
2.4 |
0.258 |
0 |
0 |
0 |
0.000 |
66 |
|
[GLC]E:295 |
7 |
1 |
292 |
cf |
[GLC]E:294 |
x,y,z |
1_555 |
6 |
1 |
303 |
61.5 |
2.4 |
0.206 |
0 |
0 |
0 |
0.000 |
67 |
|
[GLC]A:295 |
6 |
1 |
294 |
cf |
[GLC]A:294 |
x,y,z |
1_555 |
6 |
1 |
303 |
61.4 |
2.4 |
0.266 |
0 |
0 |
0 |
0.000 |
68 |
|
[GLC]C:295 |
6 |
1 |
293 |
cf |
[GLC]C:294 |
x,y,z |
1_555 |
6 |
1 |
303 |
61.1 |
2.4 |
0.265 |
0 |
0 |
0 |
0.000 |
69 |
|
[GLC]F:295 |
6 |
1 |
291 |
cf |
[GLC]F:294 |
x,y,z |
1_555 |
6 |
1 |
305 |
60.1 |
2.4 |
0.275 |
0 |
0 |
0 |
0.000 |
Average: |
61.3 |
2.4 |
0.256 |
0 |
0 |
0 |
0.000 |
31 |
70 |
|
[SO4]C:4297 |
4 |
1 |
188 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
13066 |
33.9 |
-3.6 |
0.879 |
1 |
0 |
0 |
0.000 |
32 |
71 |
|
[16G]D:7299 |
2 |
1 |
436 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
12058 |
29.3 |
0.5 |
0.214 |
0 |
0 |
0 |
0.000 |
72 |
|
D |
1 |
1 |
12053 |
◊ |
[16G]C:3299 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
436 |
27.4 |
0.5 |
0.245 |
0 |
0 |
0 |
0.000 |
Average: |
28.3 |
0.5 |
0.230 |
0 |
0 |
0 |
0.000 |
33 |
73 |
|
F |
3 |
1 |
11979 |
◊ |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
2 |
12136 |
27.6 |
-0.0 |
0.395 |
0 |
0 |
0 |
0.000 |
|