## |
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 |
235 |
55 |
16350 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
210 |
45 |
15626 |
2151.8 |
-32.2 |
0.051 |
38 |
0 |
1 |
0.255 |
2 |
2 |
|
C |
189 |
33 |
16350 |
◊ |
A |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
230 |
54 |
15626 |
1964.8 |
-28.0 |
0.087 |
39 |
0 |
1 |
0.237 |
3 |
3 |
|
B |
115 |
36 |
11638 |
◊ |
C |
x,y,z |
1_555 |
117 |
34 |
16350 |
1090.9 |
-13.4 |
0.229 |
8 |
0 |
0 |
0.082 |
4 |
4 |
|
C |
96 |
23 |
16350 |
◊ |
A |
x-1/2,-y+3/2,-z+1/2 |
8_465 |
93 |
24 |
15626 |
933.0 |
-5.9 |
0.619 |
9 |
1 |
0 |
0.044 |
5 |
5 |
|
C |
73 |
20 |
16350 |
◊ |
C |
-x,-y+1,z |
2_565 |
73 |
20 |
16350 |
634.9 |
-6.6 |
0.509 |
0 |
0 |
0 |
0.015 |
6 |
6 |
|
B |
67 |
17 |
11638 |
◊ |
A |
x-1/2,-y+3/2,-z+1/2 |
8_465 |
64 |
16 |
15626 |
564.3 |
-5.9 |
0.368 |
0 |
0 |
0 |
0.026 |
7 |
7 |
|
B |
53 |
19 |
11638 |
◊ |
A |
x,y,z |
1_555 |
59 |
19 |
15626 |
544.0 |
-2.4 |
0.501 |
7 |
0 |
0 |
0.000 |
8 |
8 |
|
C |
40 |
10 |
16350 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
49 |
15 |
11638 |
379.3 |
0.9 |
0.831 |
3 |
1 |
0 |
0.000 |
9 |
9 |
|
B |
46 |
16 |
11638 |
◊ |
A |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
36 |
12 |
15626 |
362.6 |
-3.2 |
0.378 |
2 |
0 |
0 |
0.020 |
10 |
10 |
|
[TLA]B:312 |
10 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
11638 |
159.9 |
1.0 |
0.549 |
3 |
0 |
0 |
0.001 |
11 |
11 |
|
[FUC]B:302 |
9 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
11638 |
121.3 |
1.7 |
0.305 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[FUC]A:302 |
8 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
15626 |
119.3 |
2.2 |
0.348 |
2 |
0 |
0 |
0.000 |
13 |
13 |
|
[NAG]B:303 |
12 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
11638 |
117.7 |
3.2 |
0.365 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[NAG]A:303 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
15626 |
112.5 |
2.7 |
0.309 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]C:303 |
11 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
16350 |
92.7 |
2.5 |
0.328 |
0 |
0 |
0 |
0.000 |
Average: |
102.6 |
2.6 |
0.318 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[MAN]B:301 |
9 |
1 |
289 |
cf |
B |
x,y,z |
1_555 |
13 |
6 |
11638 |
112.4 |
2.8 |
0.408 |
3 |
0 |
0 |
0.000 |
16 |
17 |
|
[TLA]A:314 |
9 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
15626 |
110.6 |
-0.5 |
0.456 |
4 |
0 |
0 |
0.011 |
17 |
18 |
|
[TLA]A:315 |
9 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
15626 |
109.2 |
-2.1 |
0.310 |
0 |
0 |
0 |
0.010 |
18 |
19 |
|
[MAN]C:301 |
9 |
1 |
292 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
16350 |
106.9 |
2.5 |
0.389 |
5 |
0 |
0 |
0.000 |
20 |
|
[MAN]A:301 |
8 |
1 |
290 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
15626 |
105.3 |
3.3 |
0.468 |
5 |
0 |
0 |
0.000 |
Average: |
106.1 |
2.9 |
0.428 |
5 |
0 |
0 |
0.000 |
19 |
21 |
|
C |
14 |
5 |
16350 |
◊ |
[TLA]A:314 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
9 |
1 |
270 |
101.5 |
0.1 |
0.428 |
1 |
0 |
0 |
0.002 |
20 |
22 |
|
C |
17 |
6 |
16350 |
◊ |
[TLA]A:315 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
9 |
1 |
264 |
100.8 |
1.3 |
0.633 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[FUC]C:302 |
8 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
16350 |
84.2 |
1.3 |
0.245 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[NA]A:307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15626 |
81.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.055 |
23 |
25 |
|
C |
12 |
5 |
16350 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15626 |
81.0 |
-1.1 |
0.487 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[NAG]B:304 |
5 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11638 |
76.3 |
2.5 |
0.603 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
11638 |
75.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.052 |
26 |
28 |
|
[NAG]A:304 |
8 |
1 |
361 |
cf |
[NAG]A:303 |
x,y,z |
1_555 |
6 |
1 |
360 |
71.5 |
1.9 |
0.106 |
1 |
0 |
0 |
0.000 |
27 |
29 |
|
[NAG]C:304 |
9 |
1 |
364 |
cf |
[NAG]C:303 |
x,y,z |
1_555 |
6 |
1 |
352 |
70.0 |
1.6 |
0.088 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
11638 |
70.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.050 |
29 |
31 |
|
[NAG]B:304 |
10 |
1 |
361 |
cf |
[NAG]B:303 |
x,y,z |
1_555 |
5 |
1 |
356 |
69.8 |
1.6 |
0.093 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[CL]C:309 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
16350 |
67.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.081 |
33 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15626 |
66.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
66.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.081 |
31 |
34 |
|
[BMA]A:305 |
5 |
1 |
291 |
cf |
[NAG]A:304 |
x,y,z |
1_555 |
6 |
1 |
361 |
66.8 |
1.8 |
0.141 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
11638 |
64.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.040 |
33 |
36 |
|
[BMA]A:305 |
4 |
1 |
291 |
cf |
[MAN]A:306 |
x,y,z |
1_555 |
6 |
1 |
292 |
61.8 |
2.1 |
0.288 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[NAG]C:303 |
7 |
1 |
352 |
cf |
[FUC]C:302 |
x,y,z |
1_555 |
6 |
1 |
280 |
61.7 |
2.1 |
0.146 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[NAG]B:303 |
6 |
1 |
356 |
cf |
[FUC]B:302 |
x,y,z |
1_555 |
6 |
1 |
283 |
61.3 |
1.7 |
0.157 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]A:303 |
4 |
1 |
360 |
cf |
[FUC]A:302 |
x,y,z |
1_555 |
6 |
1 |
280 |
57.5 |
2.1 |
0.197 |
0 |
0 |
0 |
0.000 |
Average: |
59.4 |
1.9 |
0.177 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[BMA]B:305 |
5 |
1 |
288 |
cf |
[NAG]B:304 |
x,y,z |
1_555 |
6 |
1 |
361 |
60.8 |
1.6 |
0.141 |
1 |
0 |
0 |
0.000 |
41 |
|
[BMA]C:305 |
5 |
1 |
289 |
cf |
[NAG]C:304 |
x,y,z |
1_555 |
6 |
1 |
364 |
60.6 |
1.9 |
0.172 |
0 |
0 |
0 |
0.000 |
Average: |
60.7 |
1.7 |
0.156 |
1 |
0 |
0 |
0.000 |
37 |
42 |
|
C |
16 |
6 |
16350 |
f |
[CL]A:311 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
125 |
60.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.070 |
43 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15626 |
42.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
51.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.070 |
38 |
44 |
|
[BMA]B:305 |
5 |
1 |
288 |
cf |
[MAN]B:306 |
x,y,z |
1_555 |
6 |
1 |
291 |
56.7 |
2.7 |
0.289 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[BMA]C:305 |
4 |
1 |
289 |
cf |
[MAN]C:306 |
x,y,z |
1_555 |
6 |
1 |
290 |
56.3 |
2.4 |
0.272 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[NA]A:309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15626 |
52.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.030 |
41 |
47 |
|
B |
9 |
4 |
11638 |
◊ |
[CL]A:313 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
125 |
49.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.030 |
42 |
48 |
|
[CL]A:311 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
15626 |
48.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.028 |
43 |
49 |
|
[BMA]B:305 |
6 |
1 |
288 |
f |
[MAN]B:301 |
x,y,z |
1_555 |
6 |
1 |
289 |
46.7 |
2.2 |
0.166 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[EDO]C:311 |
3 |
1 |
183 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
7 |
2 |
15626 |
44.9 |
1.3 |
0.870 |
1 |
0 |
0 |
0.000 |
45 |
51 |
|
C |
4 |
2 |
16350 |
◊ |
[NAG]A:304 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
3 |
1 |
361 |
43.3 |
1.3 |
0.380 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[MAN]C:306 |
5 |
1 |
290 |
f |
[MAN]C:301 |
x,y,z |
1_555 |
5 |
1 |
292 |
42.0 |
1.5 |
0.153 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[CL]B:308 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11638 |
42.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.024 |
48 |
54 |
|
[BMA]A:305 |
7 |
1 |
291 |
f |
[MAN]A:301 |
x,y,z |
1_555 |
5 |
1 |
290 |
40.6 |
0.9 |
0.099 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
[NAG]C:304 |
2 |
1 |
364 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
15626 |
39.3 |
1.1 |
0.459 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
C |
4 |
2 |
16350 |
x |
C |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
3 |
16350 |
37.1 |
0.9 |
0.857 |
1 |
0 |
0 |
0.000 |
51 |
57 |
|
[NA]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
16350 |
36.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.044 |
52 |
58 |
|
[CL]B:308 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
16350 |
35.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.018 |
53 |
59 |
|
[FUC]C:302 |
5 |
1 |
280 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
15626 |
35.5 |
0.5 |
0.173 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[MAN]B:306 |
4 |
1 |
291 |
f |
[MAN]B:301 |
x,y,z |
1_555 |
5 |
1 |
289 |
34.7 |
1.2 |
0.173 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
C |
3 |
1 |
16350 |
◊ |
[FUC]A:302 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
5 |
1 |
280 |
33.7 |
0.1 |
0.144 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
[BMA]B:305 |
x,y,z |
1_555 |
4 |
1 |
288 |
33.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
57 |
63 |
|
C |
3 |
1 |
16350 |
◊ |
[NAG]A:303 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
3 |
1 |
360 |
30.7 |
0.3 |
0.244 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[NAG]C:304 |
4 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
16350 |
30.3 |
1.1 |
0.443 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[BMA]C:305 |
4 |
1 |
289 |
f |
[MAN]C:301 |
x,y,z |
1_555 |
5 |
1 |
292 |
29.6 |
1.1 |
0.195 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[NAG]A:304 |
4 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
15626 |
29.4 |
0.9 |
0.390 |
1 |
0 |
0 |
0.000 |
61 |
67 |
|
[MAN]B:306 |
4 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
11638 |
28.4 |
1.0 |
0.392 |
1 |
0 |
0 |
0.000 |
62 |
68 |
|
[NA]C:307 |
1 |
1 |
125 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
2 |
11638 |
28.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
C |
4 |
2 |
16350 |
◊ |
[CL]B:308 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
125 |
27.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[NAG]B:304 |
4 |
1 |
361 |
f |
[FUC]B:302 |
x,y,z |
1_555 |
2 |
1 |
283 |
27.4 |
1.5 |
0.285 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
[MAN]B:306 |
2 |
1 |
291 |
◊ |
A |
x-1/2,-y+3/2,-z+1/2 |
8_465 |
2 |
1 |
15626 |
25.7 |
0.2 |
0.237 |
0 |
0 |
0 |
0.000 |
66 |
72 |
|
[EDO]C:311 |
3 |
1 |
183 |
f |
[NAG]C:304 |
x,y,z |
1_555 |
2 |
1 |
364 |
25.4 |
0.7 |
0.495 |
1 |
0 |
0 |
0.000 |
67 |
73 |
|
[NA]C:308 |
1 |
1 |
125 |
f |
[MAN]C:301 |
x,y,z |
1_555 |
4 |
1 |
292 |
25.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.022 |
68 |
74 |
|
[NA]A:308 |
1 |
1 |
125 |
f |
[MAN]A:301 |
x,y,z |
1_555 |
4 |
1 |
290 |
24.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.010 |
69 |
75 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
[MAN]A:301 |
x,y,z |
1_555 |
3 |
1 |
290 |
24.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
76 |
|
[CL]C:309 |
1 |
1 |
125 |
f |
[MAN]C:301 |
x,y,z |
1_555 |
3 |
1 |
292 |
23.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.025 |
77 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
[MAN]B:301 |
x,y,z |
1_555 |
3 |
1 |
289 |
14.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
21.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.025 |
70 |
78 |
|
[NAG]C:303 |
3 |
1 |
352 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
15626 |
23.3 |
0.6 |
0.284 |
0 |
0 |
0 |
0.000 |
79 |
|
[NAG]B:303 |
1 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16350 |
8.3 |
0.6 |
0.826 |
0 |
0 |
0 |
0.000 |
Average: |
15.8 |
0.6 |
0.555 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
[MAN]C:306 |
2 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
16350 |
22.9 |
0.4 |
0.493 |
0 |
0 |
0 |
0.000 |
72 |
81 |
|
[NA]A:308 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
15626 |
22.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
82 |
|
[NA]C:308 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16350 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
11.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
73 |
83 |
|
[MAN]A:306 |
2 |
1 |
292 |
f |
[MAN]A:301 |
x,y,z |
1_555 |
4 |
1 |
290 |
22.5 |
-0.2 |
0.125 |
1 |
0 |
0 |
0.003 |
74 |
84 |
|
[CL]A:312 |
1 |
1 |
125 |
◊ |
[NAG]A:304 |
x,y,z |
1_555 |
4 |
1 |
361 |
22.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
85 |
|
[CL]C:310 |
1 |
1 |
125 |
◊ |
[NAG]C:304 |
x,y,z |
1_555 |
3 |
1 |
364 |
12.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
17.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.014 |
75 |
86 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
[FUC]B:302 |
x,y,z |
1_555 |
3 |
1 |
283 |
22.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
76 |
87 |
|
[EDO]C:311 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
16350 |
21.9 |
1.0 |
0.909 |
0 |
0 |
0 |
0.000 |
77 |
88 |
|
[NAG]C:304 |
3 |
1 |
364 |
f |
[FUC]C:302 |
x,y,z |
1_555 |
2 |
1 |
280 |
19.9 |
1.2 |
0.277 |
0 |
0 |
0 |
0.000 |
78 |
89 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
[NAG]B:304 |
x,y,z |
1_555 |
4 |
1 |
361 |
19.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
79 |
90 |
|
[CL]B:311 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
4 |
1 |
15626 |
19.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.010 |
80 |
91 |
|
C |
4 |
2 |
16350 |
f |
[CL]A:312 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
125 |
18.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.021 |
81 |
92 |
|
[NA]C:307 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
15626 |
18.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.010 |
82 |
93 |
|
[NAG]A:304 |
3 |
1 |
361 |
f |
[FUC]A:302 |
x,y,z |
1_555 |
2 |
1 |
280 |
14.2 |
0.8 |
0.236 |
0 |
0 |
0 |
0.000 |
83 |
94 |
|
[CL]B:308 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15626 |
13.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
95 |
|
[CL]C:310 |
1 |
1 |
125 |
f |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
15626 |
12.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
85 |
96 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
[NA]A:308 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.012 |
86 |
97 |
|
[CL]C:310 |
1 |
1 |
125 |
◊ |
[BMA]C:305 |
x,y,z |
1_555 |
2 |
1 |
289 |
10.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
87 |
98 |
|
[NA]A:308 |
1 |
1 |
125 |
f |
[BMA]A:305 |
x,y,z |
1_555 |
2 |
1 |
291 |
9.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
88 |
99 |
|
[CL]C:309 |
1 |
1 |
125 |
f |
[NA]C:308 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
89 |
100 |
|
[MAN]C:306 |
2 |
1 |
290 |
◊ |
C |
-x,-y+1,z |
2_565 |
1 |
1 |
16350 |
8.6 |
-0.0 |
0.271 |
0 |
0 |
0 |
0.000 |
90 |
101 |
|
[CL]A:312 |
1 |
1 |
125 |
◊ |
[BMA]A:305 |
x,y,z |
1_555 |
3 |
1 |
291 |
7.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
91 |
102 |
|
C |
1 |
1 |
16350 |
◊ |
B |
x-1/2,-y+3/2,-z+1/2 |
8_465 |
3 |
1 |
11638 |
6.6 |
-0.0 |
0.465 |
0 |
0 |
0 |
0.000 |
92 |
103 |
|
[NAG]A:304 |
2 |
1 |
361 |
f |
[MAN]A:306 |
x,y,z |
1_555 |
1 |
1 |
292 |
5.1 |
0.1 |
0.183 |
0 |
0 |
0 |
0.000 |
93 |
104 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
[NA]A:309 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
94 |
105 |
|
[EDO]C:311 |
1 |
1 |
183 |
f |
[NAG]C:303 |
x,y,z |
1_555 |
1 |
1 |
352 |
3.1 |
-0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
95 |
106 |
|
[NA]A:309 |
1 |
1 |
125 |
f |
[MAN]A:301 |
x,y,z |
1_555 |
1 |
1 |
290 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
96 |
107 |
|
[NAG]C:304 |
1 |
1 |
364 |
f |
[MAN]C:301 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.3 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
97 |
108 |
|
[TLA]B:312 |
1 |
1 |
265 |
f |
[CL]B:310 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
98 |
109 |
|
[NAG]C:304 |
1 |
1 |
364 |
f |
[MAN]C:306 |
x,y,z |
1_555 |
1 |
1 |
290 |
0.5 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
99 |
110 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
[NAG]B:303 |
x,y,z |
1_555 |
1 |
1 |
356 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|