| ## |
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 |
116 |
30 |
6702 |
◊ |
B |
x,y,z |
1_555 |
126 |
35 |
6816 |
1254.6 |
-9.4 |
0.248 |
23 |
8 |
0 |
0.000 |
2 |
|
B |
121 |
32 |
6816 |
◊ |
A |
x,y,z |
1_555 |
132 |
35 |
6620 |
1247.4 |
-9.6 |
0.287 |
24 |
8 |
0 |
0.000 |
3 |
|
D |
113 |
29 |
6617 |
◊ |
C |
x,y,z |
1_555 |
129 |
35 |
6702 |
1236.0 |
-10.3 |
0.233 |
22 |
8 |
0 |
0.000 |
4 |
|
E |
128 |
35 |
6577 |
◊ |
A |
x,y,z |
1_555 |
112 |
30 |
6620 |
1219.5 |
-10.7 |
0.214 |
22 |
8 |
0 |
0.000 |
5 |
|
E |
114 |
29 |
6577 |
◊ |
D |
x,y,z |
1_555 |
128 |
35 |
6617 |
1209.0 |
-11.7 |
0.201 |
23 |
8 |
0 |
0.000 |
| Average: |
1233.3 |
-10.3 |
0.237 |
23 |
8 |
0 |
0.000 |
| 2 |
6 |
|
D |
39 |
10 |
6617 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
36 |
14 |
6816 |
313.3 |
1.8 |
0.760 |
7 |
0 |
0 |
0.000 |
| 3 |
7 |
|
C |
24 |
8 |
6702 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
24 |
7 |
6620 |
198.6 |
3.0 |
0.882 |
4 |
3 |
0 |
0.000 |
| 4 |
8 |
|
A |
21 |
7 |
6620 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
23 |
8 |
6816 |
175.2 |
0.5 |
0.635 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[GAL]C:203 |
12 |
1 |
306 |
f |
C |
x,y,z |
1_555 |
25 |
8 |
6702 |
172.0 |
3.1 |
0.408 |
5 |
0 |
0 |
0.000 |
10 |
|
[GAL]A:202 |
12 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
6620 |
169.9 |
3.3 |
0.404 |
5 |
0 |
0 |
0.000 |
11 |
|
[GAL]E:202 |
12 |
1 |
305 |
f |
E |
x,y,z |
1_555 |
25 |
8 |
6577 |
129.2 |
2.4 |
0.388 |
6 |
0 |
0 |
0.000 |
| Average: |
157.0 |
2.9 |
0.400 |
5 |
0 |
0 |
0.000 |
| 6 |
12 |
|
C |
22 |
7 |
6702 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
6816 |
170.0 |
1.2 |
0.739 |
2 |
1 |
0 |
0.000 |
| 7 |
13 |
|
E |
14 |
5 |
6577 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
6 |
6816 |
144.2 |
0.4 |
0.683 |
3 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[GLA]E:203 |
12 |
1 |
304 |
f |
E |
x,y,z |
1_555 |
24 |
8 |
6577 |
130.2 |
2.6 |
0.392 |
6 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[PGE]C:202 |
9 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
6702 |
123.4 |
3.8 |
0.265 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[PGE]E:201 |
10 |
1 |
335 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
6577 |
123.3 |
3.7 |
0.225 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
E |
13 |
3 |
6577 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
6620 |
122.4 |
-0.5 |
0.477 |
3 |
0 |
0 |
0.000 |
18 |
|
D |
17 |
6 |
6617 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
11 |
4 |
6702 |
102.7 |
-0.4 |
0.512 |
2 |
0 |
0 |
0.000 |
| Average: |
112.5 |
-0.5 |
0.494 |
3 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[PGE]D:202 |
9 |
1 |
339 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
6617 |
118.6 |
3.5 |
0.255 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[FUC]C:208 |
10 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
25 |
8 |
6702 |
113.6 |
1.4 |
0.318 |
4 |
0 |
0 |
0.000 |
21 |
|
[FUC]E:208 |
10 |
1 |
279 |
f |
E |
x,y,z |
1_555 |
25 |
8 |
6577 |
112.8 |
1.4 |
0.340 |
4 |
0 |
0 |
0.000 |
22 |
|
[FUC]D:207 |
10 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
23 |
8 |
6617 |
109.5 |
1.5 |
0.334 |
3 |
0 |
0 |
0.000 |
23 |
|
[FUC]A:207 |
10 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
6620 |
109.1 |
1.4 |
0.330 |
4 |
0 |
0 |
0.000 |
| Average: |
111.3 |
1.4 |
0.330 |
4 |
0 |
0 |
0.000 |
| 14 |
24 |
|
B |
16 |
5 |
6816 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
12 |
4 |
6816 |
111.3 |
0.4 |
0.673 |
4 |
1 |
0 |
0.000 |
| 15 |
25 |
|
[PEG]A:201 |
7 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
6620 |
109.1 |
2.9 |
0.327 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[GLA]E:203 |
12 |
1 |
304 |
f |
[GAL]E:202 |
x,y,z |
1_555 |
12 |
1 |
305 |
102.6 |
3.2 |
0.109 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[PEG]D:201 |
6 |
1 |
261 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
6617 |
90.7 |
2.9 |
0.407 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[MES]C:201 |
8 |
1 |
315 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
12 |
3 |
6816 |
87.6 |
2.9 |
0.282 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[A2G]C:206 |
5 |
1 |
367 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6702 |
75.7 |
2.8 |
0.598 |
0 |
0 |
0 |
0.000 |
30 |
|
[A2G]D:205 |
5 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
6617 |
73.8 |
2.8 |
0.580 |
0 |
0 |
0 |
0.000 |
31 |
|
[A2G]A:205 |
5 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
6620 |
71.9 |
2.6 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
73.8 |
2.7 |
0.589 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[MES]C:201 |
7 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6816 |
75.0 |
1.1 |
0.109 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[FUC]C:207 |
5 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
6702 |
73.4 |
1.8 |
0.470 |
1 |
0 |
0 |
0.000 |
34 |
|
[FUC]E:207 |
5 |
1 |
281 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
6577 |
73.2 |
1.8 |
0.480 |
1 |
0 |
0 |
0.000 |
35 |
|
[FUC]D:206 |
6 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6617 |
70.3 |
1.7 |
0.447 |
1 |
0 |
0 |
0.000 |
36 |
|
[FUC]A:206 |
5 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6620 |
69.6 |
1.7 |
0.493 |
1 |
0 |
0 |
0.000 |
| Average: |
71.6 |
1.7 |
0.473 |
1 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[A2G]E:206 |
5 |
1 |
363 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
6577 |
69.9 |
2.7 |
0.562 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[PEG]D:201 |
4 |
1 |
261 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
6577 |
69.5 |
2.0 |
0.449 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[NDG]C:204 |
8 |
1 |
373 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
6702 |
69.2 |
1.7 |
0.303 |
1 |
0 |
0 |
0.000 |
40 |
|
[NDG]D:203 |
9 |
1 |
373 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
6617 |
68.8 |
1.7 |
0.264 |
1 |
0 |
0 |
0.000 |
41 |
|
[NDG]A:203 |
8 |
1 |
372 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6620 |
67.7 |
1.6 |
0.296 |
1 |
0 |
0 |
0.000 |
42 |
|
[NDG]E:204 |
8 |
1 |
370 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
6577 |
67.1 |
1.5 |
0.287 |
1 |
0 |
0 |
0.000 |
| Average: |
68.2 |
1.6 |
0.288 |
1 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[A2G]D:205 |
6 |
1 |
363 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
12 |
5 |
6702 |
65.7 |
-0.4 |
0.089 |
0 |
0 |
0 |
0.000 |
44 |
|
E |
8 |
3 |
6577 |
◊ |
[A2G]A:205 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
359 |
57.5 |
-0.3 |
0.140 |
0 |
0 |
0 |
0.000 |
| Average: |
61.6 |
-0.3 |
0.115 |
0 |
0 |
0 |
0.000 |
| 26 |
45 |
|
[A2G]C:206 |
8 |
1 |
367 |
cf |
[GAL]C:205 |
x,y,z |
1_555 |
7 |
1 |
293 |
64.7 |
2.8 |
0.111 |
1 |
0 |
0 |
0.000 |
46 |
|
[A2G]D:205 |
7 |
1 |
363 |
cf |
[GAL]D:204 |
x,y,z |
1_555 |
7 |
1 |
290 |
53.8 |
2.5 |
0.131 |
0 |
0 |
0 |
0.000 |
| Average: |
59.3 |
2.6 |
0.121 |
1 |
0 |
0 |
0.000 |
| 27 |
47 |
|
[GAL]D:204 |
8 |
1 |
290 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
8 |
4 |
6702 |
64.4 |
0.9 |
0.295 |
2 |
0 |
0 |
0.000 |
| 28 |
48 |
|
E |
8 |
4 |
6577 |
◊ |
[GAL]A:204 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
295 |
63.7 |
1.1 |
0.392 |
1 |
0 |
0 |
0.000 |
| 29 |
49 |
|
[FUC]C:208 |
7 |
1 |
280 |
cf |
[NDG]C:204 |
x,y,z |
1_555 |
7 |
1 |
373 |
60.6 |
2.1 |
0.124 |
0 |
0 |
0 |
0.000 |
50 |
|
[FUC]A:207 |
7 |
1 |
280 |
cf |
[NDG]A:203 |
x,y,z |
1_555 |
8 |
1 |
372 |
60.5 |
2.1 |
0.117 |
0 |
0 |
0 |
0.000 |
51 |
|
[FUC]E:208 |
7 |
1 |
279 |
cf |
[NDG]E:204 |
x,y,z |
1_555 |
8 |
1 |
370 |
60.1 |
2.0 |
0.097 |
0 |
0 |
0 |
0.000 |
52 |
|
[FUC]D:207 |
7 |
1 |
279 |
cf |
[NDG]D:203 |
x,y,z |
1_555 |
9 |
1 |
373 |
59.8 |
2.1 |
0.094 |
0 |
0 |
0 |
0.000 |
| Average: |
60.2 |
2.1 |
0.108 |
0 |
0 |
0 |
0.000 |
| 30 |
53 |
|
[A2G]E:206 |
9 |
1 |
363 |
cf |
[GAL]E:205 |
x,y,z |
1_555 |
7 |
1 |
290 |
59.8 |
2.6 |
0.076 |
0 |
0 |
0 |
0.000 |
54 |
|
[A2G]A:205 |
9 |
1 |
359 |
cf |
[GAL]A:204 |
x,y,z |
1_555 |
6 |
1 |
295 |
54.6 |
2.4 |
0.109 |
0 |
0 |
0 |
0.000 |
| Average: |
57.2 |
2.5 |
0.092 |
0 |
0 |
0 |
0.000 |
| 31 |
55 |
|
[A2G]D:205 |
7 |
1 |
363 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
8 |
2 |
6617 |
59.1 |
1.6 |
0.264 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
8 |
2 |
6620 |
◊ |
[A2G]A:205 |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
1 |
359 |
54.8 |
1.4 |
0.324 |
0 |
0 |
0 |
0.000 |
| Average: |
56.9 |
1.5 |
0.294 |
0 |
0 |
0 |
0.000 |
| 32 |
57 |
|
[NDG]C:204 |
5 |
1 |
373 |
cf |
[GAL]C:205 |
x,y,z |
1_555 |
6 |
1 |
293 |
58.8 |
1.2 |
0.089 |
0 |
0 |
0 |
0.000 |
58 |
|
[NDG]D:203 |
5 |
1 |
373 |
cf |
[GAL]D:204 |
x,y,z |
1_555 |
5 |
1 |
290 |
49.4 |
0.8 |
0.099 |
0 |
0 |
0 |
0.000 |
| Average: |
54.1 |
1.0 |
0.094 |
0 |
0 |
0 |
0.000 |
| 33 |
59 |
|
[NA]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
6816 |
58.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| 34 |
60 |
|
[A2G]E:206 |
6 |
1 |
363 |
◊ |
[A2G]C:206 |
-x-1/2,-y-1,z-1/2 |
2_444 |
5 |
1 |
367 |
58.2 |
1.0 |
0.047 |
0 |
0 |
0 |
0.000 |
| 35 |
61 |
|
[FUC]C:207 |
7 |
1 |
281 |
f |
[NDG]C:204 |
x,y,z |
1_555 |
6 |
1 |
373 |
57.7 |
2.4 |
0.170 |
0 |
0 |
0 |
0.000 |
| 36 |
62 |
|
[NDG]E:204 |
5 |
1 |
370 |
cf |
[GAL]E:205 |
x,y,z |
1_555 |
6 |
1 |
290 |
57.5 |
1.1 |
0.089 |
0 |
0 |
0 |
0.000 |
63 |
|
[NDG]A:203 |
5 |
1 |
372 |
cf |
[GAL]A:204 |
x,y,z |
1_555 |
6 |
1 |
295 |
53.4 |
1.0 |
0.094 |
0 |
0 |
0 |
0.000 |
| Average: |
55.5 |
1.1 |
0.092 |
0 |
0 |
0 |
0.000 |
| 37 |
64 |
|
[FUC]E:207 |
7 |
1 |
281 |
f |
[NDG]E:204 |
x,y,z |
1_555 |
6 |
1 |
370 |
57.5 |
2.3 |
0.104 |
0 |
0 |
0 |
0.000 |
65 |
|
[FUC]A:206 |
7 |
1 |
283 |
f |
[NDG]A:203 |
x,y,z |
1_555 |
5 |
1 |
372 |
52.1 |
2.3 |
0.196 |
0 |
0 |
0 |
0.000 |
66 |
|
[FUC]D:206 |
7 |
1 |
280 |
f |
[NDG]D:203 |
x,y,z |
1_555 |
6 |
1 |
373 |
50.1 |
1.9 |
0.104 |
0 |
0 |
0 |
0.000 |
| Average: |
53.2 |
2.2 |
0.135 |
0 |
0 |
0 |
0.000 |
| 38 |
67 |
|
[GAL]C:205 |
5 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6702 |
54.6 |
0.4 |
0.269 |
1 |
0 |
0 |
0.000 |
68 |
|
[GAL]D:204 |
6 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
6617 |
46.9 |
-0.3 |
0.177 |
1 |
0 |
0 |
0.000 |
| Average: |
50.7 |
0.1 |
0.223 |
1 |
0 |
0 |
0.000 |
| 39 |
69 |
|
[FUC]C:207 |
6 |
1 |
281 |
cf |
[GAL]C:205 |
x,y,z |
1_555 |
5 |
1 |
293 |
54.2 |
2.4 |
0.277 |
0 |
0 |
0 |
0.000 |
70 |
|
[FUC]E:207 |
6 |
1 |
281 |
cf |
[GAL]E:205 |
x,y,z |
1_555 |
5 |
1 |
290 |
53.4 |
2.4 |
0.290 |
0 |
0 |
0 |
0.000 |
71 |
|
[FUC]A:206 |
6 |
1 |
283 |
cf |
[GAL]A:204 |
x,y,z |
1_555 |
5 |
1 |
295 |
49.2 |
2.2 |
0.300 |
0 |
0 |
0 |
0.000 |
| Average: |
52.2 |
2.4 |
0.289 |
0 |
0 |
0 |
0.000 |
| 40 |
72 |
|
[GAL]E:205 |
6 |
1 |
290 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
6577 |
53.7 |
0.3 |
0.205 |
2 |
0 |
0 |
0.000 |
73 |
|
[GAL]A:204 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
6620 |
45.2 |
0.2 |
0.221 |
1 |
0 |
0 |
0.000 |
| Average: |
49.4 |
0.3 |
0.213 |
2 |
0 |
0 |
0.000 |
| 41 |
74 |
|
[MES]C:201 |
8 |
1 |
315 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6620 |
50.1 |
0.7 |
0.032 |
0 |
0 |
0 |
0.000 |
| 42 |
75 |
|
[FUC]C:207 |
4 |
1 |
281 |
f |
[A2G]C:206 |
x,y,z |
1_555 |
7 |
1 |
367 |
48.9 |
2.4 |
0.140 |
0 |
0 |
0 |
0.000 |
| 43 |
76 |
|
[FUC]E:207 |
3 |
1 |
281 |
f |
[A2G]E:206 |
x,y,z |
1_555 |
7 |
1 |
363 |
48.5 |
2.4 |
0.197 |
0 |
0 |
0 |
0.000 |
| 44 |
77 |
|
[FUC]C:208 |
7 |
1 |
280 |
f |
[GAL]C:205 |
x,y,z |
1_555 |
6 |
1 |
293 |
47.8 |
1.7 |
0.152 |
0 |
0 |
0 |
0.000 |
78 |
|
[FUC]E:208 |
7 |
1 |
279 |
f |
[GAL]E:205 |
x,y,z |
1_555 |
6 |
1 |
290 |
46.9 |
1.7 |
0.161 |
0 |
0 |
0 |
0.000 |
79 |
|
[FUC]A:207 |
6 |
1 |
280 |
f |
[GAL]A:204 |
x,y,z |
1_555 |
6 |
1 |
295 |
40.6 |
1.5 |
0.154 |
0 |
0 |
0 |
0.000 |
| Average: |
45.1 |
1.7 |
0.156 |
0 |
0 |
0 |
0.000 |
| 45 |
80 |
|
[FUC]D:206 |
6 |
1 |
280 |
cf |
[GAL]D:204 |
x,y,z |
1_555 |
5 |
1 |
290 |
46.1 |
2.1 |
0.328 |
0 |
0 |
0 |
0.000 |
| 46 |
81 |
|
[MES]C:201 |
4 |
1 |
315 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
6702 |
44.9 |
-0.3 |
0.057 |
0 |
0 |
0 |
0.000 |
| 47 |
82 |
|
[FUC]D:206 |
3 |
1 |
280 |
f |
[A2G]D:205 |
x,y,z |
1_555 |
7 |
1 |
363 |
43.8 |
2.3 |
0.143 |
0 |
0 |
0 |
0.000 |
83 |
|
[FUC]A:206 |
3 |
1 |
283 |
f |
[A2G]A:205 |
x,y,z |
1_555 |
6 |
1 |
359 |
41.5 |
2.2 |
0.236 |
0 |
0 |
0 |
0.000 |
| Average: |
42.7 |
2.2 |
0.190 |
0 |
0 |
0 |
0.000 |
| 48 |
84 |
|
[NDG]A:203 |
4 |
1 |
372 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
6577 |
43.0 |
1.5 |
0.515 |
1 |
0 |
0 |
0.000 |
85 |
|
[NDG]E:204 |
5 |
1 |
370 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
6617 |
39.6 |
1.4 |
0.373 |
0 |
0 |
0 |
0.000 |
86 |
|
[NDG]C:204 |
4 |
1 |
373 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
6816 |
39.2 |
1.4 |
0.513 |
0 |
0 |
0 |
0.000 |
87 |
|
[NDG]D:203 |
4 |
1 |
373 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
6702 |
38.0 |
1.3 |
0.507 |
0 |
0 |
0 |
0.000 |
| Average: |
39.9 |
1.4 |
0.477 |
0 |
0 |
0 |
0.000 |
| 49 |
88 |
|
[FUC]D:206 |
4 |
1 |
280 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
4 |
1 |
6617 |
40.4 |
0.9 |
0.509 |
2 |
0 |
0 |
0.000 |
89 |
|
A |
4 |
1 |
6620 |
◊ |
[FUC]A:206 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
283 |
36.8 |
0.9 |
0.345 |
2 |
0 |
0 |
0.000 |
| Average: |
38.6 |
0.9 |
0.427 |
2 |
0 |
0 |
0.000 |
| 50 |
90 |
|
[FUC]D:207 |
6 |
1 |
279 |
f |
[GAL]D:204 |
x,y,z |
1_555 |
5 |
1 |
290 |
39.4 |
1.5 |
0.200 |
0 |
0 |
0 |
0.000 |
| 51 |
91 |
|
[NDG]D:203 |
5 |
1 |
373 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
3 |
1 |
6702 |
37.5 |
0.5 |
0.164 |
0 |
0 |
0 |
0.000 |
92 |
|
E |
3 |
1 |
6577 |
◊ |
[NDG]A:203 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
372 |
33.2 |
0.0 |
0.166 |
0 |
0 |
0 |
0.000 |
| Average: |
35.4 |
0.3 |
0.165 |
0 |
0 |
0 |
0.000 |
| 52 |
93 |
|
[PGE]D:202 |
3 |
1 |
339 |
f |
[NDG]D:203 |
x,y,z |
1_555 |
5 |
1 |
373 |
37.2 |
1.8 |
0.169 |
0 |
0 |
0 |
0.000 |
| 53 |
94 |
|
A |
6 |
3 |
6620 |
◊ |
[NA]B:201 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
125 |
36.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
95 |
|
[PGE]C:202 |
2 |
1 |
337 |
f |
[NDG]C:204 |
x,y,z |
1_555 |
5 |
1 |
373 |
36.2 |
1.9 |
0.217 |
0 |
0 |
0 |
0.000 |
| 55 |
96 |
|
D |
5 |
2 |
6617 |
◊ |
[GAL]C:203 |
x-1/2,-y-3/2,-z |
4_435 |
3 |
1 |
306 |
34.2 |
0.8 |
0.510 |
0 |
0 |
0 |
0.000 |
| 56 |
97 |
|
[PGE]E:201 |
2 |
1 |
335 |
f |
[NDG]E:204 |
x,y,z |
1_555 |
5 |
1 |
370 |
33.1 |
1.9 |
0.210 |
0 |
0 |
0 |
0.000 |
| 57 |
98 |
|
[NDG]A:203 |
5 |
1 |
372 |
f |
[PEG]A:201 |
x,y,z |
1_555 |
2 |
1 |
262 |
32.7 |
1.3 |
0.197 |
0 |
0 |
0 |
0.000 |
| 58 |
99 |
|
D |
4 |
2 |
6617 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
6620 |
32.3 |
1.0 |
0.884 |
0 |
0 |
0 |
0.000 |
| 59 |
100 |
|
[FUC]E:208 |
4 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6617 |
30.8 |
0.9 |
0.520 |
1 |
0 |
0 |
0.000 |
101 |
|
[FUC]C:208 |
4 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6816 |
30.1 |
0.9 |
0.524 |
0 |
0 |
0 |
0.000 |
102 |
|
[FUC]A:207 |
4 |
1 |
280 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
6577 |
29.2 |
0.9 |
0.529 |
0 |
0 |
0 |
0.000 |
103 |
|
[FUC]D:207 |
4 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6702 |
28.3 |
0.9 |
0.525 |
0 |
0 |
0 |
0.000 |
| Average: |
29.6 |
0.9 |
0.525 |
0 |
0 |
0 |
0.000 |
| 60 |
104 |
|
[GAL]E:202 |
4 |
1 |
305 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
6620 |
28.0 |
0.8 |
0.397 |
1 |
0 |
0 |
0.000 |
| 61 |
105 |
|
[GLA]E:203 |
4 |
1 |
304 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
6620 |
27.7 |
1.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| 62 |
106 |
|
[MES]C:201 |
4 |
1 |
315 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
6617 |
23.3 |
0.0 |
0.079 |
0 |
0 |
0 |
0.000 |
| 63 |
107 |
|
[FUC]C:208 |
4 |
1 |
280 |
f |
[FUC]C:207 |
x,y,z |
1_555 |
4 |
1 |
281 |
20.0 |
0.7 |
0.189 |
0 |
0 |
0 |
0.000 |
108 |
|
[FUC]E:208 |
4 |
1 |
279 |
f |
[FUC]E:207 |
x,y,z |
1_555 |
4 |
1 |
281 |
19.9 |
0.7 |
0.127 |
0 |
0 |
0 |
0.000 |
109 |
|
[FUC]A:207 |
4 |
1 |
280 |
f |
[FUC]A:206 |
x,y,z |
1_555 |
4 |
1 |
283 |
17.8 |
0.8 |
0.127 |
0 |
0 |
0 |
0.000 |
110 |
|
[FUC]D:207 |
4 |
1 |
279 |
f |
[FUC]D:206 |
x,y,z |
1_555 |
4 |
1 |
280 |
16.7 |
0.7 |
0.127 |
0 |
0 |
0 |
0.000 |
| Average: |
18.6 |
0.7 |
0.143 |
0 |
0 |
0 |
0.000 |
| 64 |
111 |
|
[A2G]D:205 |
4 |
1 |
363 |
◊ |
[GAL]C:203 |
x-1/2,-y-3/2,-z |
4_435 |
3 |
1 |
306 |
16.6 |
0.6 |
0.156 |
0 |
0 |
0 |
0.000 |
112 |
|
[GAL]E:202 |
2 |
1 |
305 |
◊ |
[A2G]A:205 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
359 |
7.4 |
0.2 |
0.216 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
0.4 |
0.186 |
0 |
0 |
0 |
0.000 |
| 65 |
113 |
|
[GAL]C:203 |
2 |
1 |
306 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
6617 |
16.5 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
114 |
|
[GAL]A:202 |
2 |
1 |
305 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6816 |
14.7 |
0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
115 |
|
[GAL]E:202 |
2 |
1 |
305 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6620 |
12.6 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
14.6 |
0.2 |
0.384 |
0 |
0 |
0 |
0.000 |
| 66 |
116 |
|
[A2G]C:206 |
1 |
1 |
367 |
f |
[NDG]C:204 |
x,y,z |
1_555 |
2 |
1 |
373 |
13.0 |
0.6 |
0.352 |
0 |
0 |
0 |
0.000 |
| 67 |
117 |
|
[MES]C:201 |
2 |
1 |
315 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
6577 |
12.6 |
0.2 |
0.234 |
0 |
0 |
0 |
0.000 |
| 68 |
118 |
|
[GAL]E:205 |
3 |
1 |
290 |
◊ |
[A2G]C:206 |
-x-1/2,-y-1,z-1/2 |
2_444 |
3 |
1 |
367 |
11.1 |
0.5 |
0.175 |
0 |
0 |
0 |
0.000 |
| 69 |
119 |
|
[GLA]E:203 |
2 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
6620 |
11.1 |
0.1 |
0.394 |
0 |
0 |
0 |
0.000 |
| 70 |
120 |
|
E |
2 |
1 |
6577 |
◊ |
[FUC]A:207 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
280 |
11.0 |
0.2 |
0.435 |
0 |
0 |
0 |
0.000 |
121 |
|
[FUC]D:207 |
2 |
1 |
279 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
2 |
1 |
6702 |
8.4 |
0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| Average: |
9.7 |
0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
| 71 |
122 |
|
[A2G]E:206 |
1 |
1 |
363 |
f |
[NDG]E:204 |
x,y,z |
1_555 |
1 |
1 |
370 |
6.8 |
0.3 |
0.138 |
0 |
0 |
0 |
0.000 |
123 |
|
[A2G]D:205 |
1 |
1 |
363 |
f |
[NDG]D:203 |
x,y,z |
1_555 |
1 |
1 |
373 |
3.2 |
0.1 |
0.138 |
0 |
0 |
0 |
0.000 |
| Average: |
5.0 |
0.2 |
0.138 |
0 |
0 |
0 |
0.000 |
| 72 |
124 |
|
[GLA]E:203 |
2 |
1 |
304 |
◊ |
[A2G]A:205 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
359 |
5.9 |
0.1 |
0.205 |
0 |
0 |
0 |
0.000 |
| 73 |
125 |
|
[NDG]D:203 |
2 |
1 |
373 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
2 |
1 |
6617 |
4.9 |
-0.0 |
0.229 |
0 |
0 |
0 |
0.000 |
| 74 |
126 |
|
[GAL]D:204 |
1 |
1 |
290 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
3 |
1 |
6617 |
2.7 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
| 75 |
127 |
|
A |
1 |
1 |
6620 |
◊ |
[GAL]A:204 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
295 |
0.9 |
-0.0 |
0.311 |
0 |
0 |
0 |
0.000 |
|