## |
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 |
|
B |
97 |
32 |
11435 |
◊ |
A |
x,y,z |
1_555 |
90 |
30 |
11366 |
888.8 |
5.5 |
0.851 |
15 |
18 |
0 |
0.163 |
2 |
2 |
|
B |
69 |
24 |
11435 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
66 |
20 |
11366 |
626.2 |
-5.6 |
0.165 |
8 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
48 |
13 |
11435 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
53 |
17 |
11366 |
422.1 |
2.6 |
0.762 |
9 |
4 |
0 |
0.000 |
4 |
4 |
|
B |
36 |
14 |
11435 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
35 |
10 |
11366 |
322.2 |
1.3 |
0.595 |
6 |
0 |
0 |
0.000 |
5 |
5 |
|
[GOL]A:302 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
11366 |
152.7 |
-0.8 |
0.438 |
2 |
0 |
0 |
0.071 |
6 |
6 |
|
[GOL]B:308 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
11435 |
147.1 |
-0.3 |
0.532 |
2 |
0 |
0 |
0.049 |
7 |
7 |
|
[GOL]B:302 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11435 |
126.6 |
0.0 |
0.558 |
5 |
0 |
0 |
0.093 |
8 |
8 |
|
[GOL]B:303 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11435 |
125.7 |
0.1 |
0.572 |
3 |
0 |
0 |
0.052 |
9 |
9 |
|
[PEG]A:317 |
6 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
11366 |
120.3 |
2.2 |
0.284 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:313 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
11366 |
119.0 |
3.4 |
0.555 |
3 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]B:315 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
11435 |
112.6 |
3.7 |
0.439 |
4 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]A:311 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
11366 |
112.4 |
3.4 |
0.453 |
3 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:316 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
11 |
11366 |
111.3 |
3.6 |
0.435 |
5 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:310 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11366 |
109.5 |
4.1 |
0.509 |
3 |
0 |
0 |
0.000 |
15 |
15 |
|
[GOL]B:310 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11435 |
109.4 |
0.3 |
0.532 |
4 |
0 |
0 |
0.063 |
16 |
16 |
|
[GOL]A:301 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
11366 |
109.2 |
-0.4 |
0.481 |
5 |
0 |
0 |
0.110 |
17 |
17 |
|
[GOL]B:305 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11435 |
106.2 |
0.3 |
0.584 |
3 |
0 |
0 |
0.042 |
18 |
18 |
|
[EDO]A:315 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
11366 |
104.9 |
3.7 |
0.473 |
3 |
0 |
0 |
0.000 |
19 |
19 |
|
[NO3]A:305 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
11366 |
104.5 |
1.3 |
0.642 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[NO3]B:312 |
4 |
1 |
162 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11435 |
102.6 |
1.3 |
0.647 |
2 |
0 |
0 |
0.000 |
21 |
21 |
|
[GOL]B:307 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
11435 |
101.2 |
-0.4 |
0.491 |
1 |
0 |
0 |
0.037 |
22 |
22 |
|
[EDO]B:313 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11435 |
101.0 |
3.2 |
0.423 |
1 |
0 |
0 |
0.000 |
23 |
23 |
|
[GOL]B:307 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11366 |
96.4 |
0.3 |
0.612 |
1 |
0 |
0 |
0.006 |
24 |
24 |
|
[GOL]A:303 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
11366 |
93.9 |
-0.8 |
0.413 |
1 |
0 |
0 |
0.052 |
25 |
25 |
|
[GOL]B:309 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11435 |
90.5 |
-0.9 |
0.374 |
0 |
0 |
0 |
0.039 |
26 |
26 |
|
[NO3]A:306 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11366 |
88.9 |
1.7 |
0.602 |
4 |
0 |
0 |
0.004 |
27 |
27 |
|
[EDO]B:314 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11435 |
88.3 |
2.5 |
0.420 |
1 |
0 |
0 |
0.000 |
28 |
28 |
|
[GOL]B:304 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
11435 |
87.6 |
1.6 |
0.779 |
4 |
0 |
0 |
0.006 |
29 |
29 |
|
[EDO]A:312 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11366 |
86.6 |
2.2 |
0.251 |
4 |
0 |
0 |
0.000 |
30 |
30 |
|
[NO3]A:307 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11366 |
86.5 |
1.5 |
0.586 |
4 |
0 |
0 |
0.013 |
31 |
31 |
|
[NO3]A:309 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11366 |
86.3 |
1.2 |
0.542 |
0 |
0 |
0 |
0.000 |
32 |
32 |
|
[GOL]A:303 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
11435 |
83.7 |
-1.0 |
0.367 |
0 |
0 |
0 |
0.044 |
33 |
33 |
|
[GOL]B:306 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11435 |
83.2 |
-0.8 |
0.413 |
4 |
0 |
0 |
0.108 |
34 |
34 |
|
[NO3]A:308 |
4 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
11366 |
82.7 |
2.3 |
0.560 |
3 |
0 |
0 |
0.000 |
35 |
35 |
|
[GOL]B:311 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11435 |
80.8 |
-1.1 |
0.354 |
0 |
0 |
0 |
0.048 |
36 |
36 |
|
[EDO]A:314 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11366 |
79.7 |
2.5 |
0.880 |
3 |
0 |
0 |
0.000 |
37 |
37 |
|
[GOL]A:301 |
5 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
11435 |
76.0 |
0.3 |
0.612 |
1 |
0 |
0 |
0.005 |
38 |
38 |
|
[PO4]B:301 |
5 |
1 |
195 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11435 |
73.5 |
-4.6 |
0.631 |
1 |
0 |
0 |
0.212 |
39 |
39 |
|
[GOL]B:304 |
4 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
11366 |
71.6 |
0.2 |
0.570 |
4 |
0 |
0 |
0.066 |
40 |
40 |
|
[GOL]B:309 |
6 |
1 |
220 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
12 |
4 |
11366 |
68.6 |
0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
41 |
41 |
|
[GOL]B:306 |
6 |
1 |
219 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
11 |
5 |
11366 |
67.7 |
-0.5 |
0.475 |
2 |
0 |
0 |
0.000 |
42 |
42 |
|
B |
15 |
3 |
11435 |
◊ |
[EDO]A:312 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
184 |
61.6 |
1.2 |
0.216 |
0 |
0 |
0 |
0.000 |
43 |
43 |
|
[GOL]B:305 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11366 |
54.9 |
-0.5 |
0.471 |
1 |
0 |
0 |
0.041 |
44 |
44 |
|
[GOL]B:310 |
4 |
1 |
219 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
3 |
11366 |
52.0 |
0.5 |
0.629 |
2 |
0 |
0 |
0.000 |
45 |
45 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
11435 |
50.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.513 |
46 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11366 |
49.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.513 |
Average: |
50.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.513 |
46 |
47 |
|
B |
9 |
4 |
11435 |
f |
[NO3]A:308 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
160 |
49.8 |
0.8 |
0.813 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[PEG]A:317 |
5 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11435 |
42.5 |
1.1 |
0.239 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[PO4]B:301 |
3 |
1 |
195 |
◊ |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
3 |
1 |
11435 |
34.3 |
-1.7 |
0.767 |
1 |
0 |
0 |
0.000 |
49 |
50 |
|
B |
4 |
1 |
11435 |
x |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
2 |
1 |
11435 |
24.7 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
[GOL]B:310 |
2 |
1 |
219 |
f |
[GOL]B:308 |
x,y,z |
1_555 |
3 |
1 |
218 |
21.6 |
0.3 |
0.661 |
1 |
0 |
0 |
0.005 |
51 |
52 |
|
B |
2 |
1 |
11435 |
f |
[EDO]A:314 |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
185 |
17.2 |
1.0 |
0.960 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[GOL]B:308 |
3 |
1 |
218 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
11366 |
13.7 |
-0.1 |
0.271 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[GOL]B:303 |
2 |
1 |
218 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
11366 |
9.5 |
-0.1 |
0.350 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[GOL]B:311 |
2 |
1 |
218 |
◊ |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
2 |
1 |
11435 |
7.9 |
-0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[GOL]B:309 |
2 |
1 |
220 |
f |
[EDO]A:313 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
185 |
7.4 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
B |
1 |
1 |
11435 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
11435 |
5.3 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
[GOL]B:310 |
2 |
1 |
219 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
2 |
11366 |
2.7 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[EDO]A:311 |
1 |
1 |
184 |
f |
[NO3]A:308 |
x,y,z |
1_555 |
1 |
1 |
160 |
2.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
59 |
60 |
|
[EDO]A:310 |
1 |
1 |
185 |
f |
[NO3]A:309 |
x,y,z |
1_555 |
1 |
1 |
160 |
1.0 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|