| ## |
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 |
|
D |
152 |
40 |
12766 |
◊ |
C |
x,y,z |
1_555 |
150 |
40 |
12836 |
1375.6 |
-13.2 |
0.206 |
18 |
0 |
0 |
0.342 |
2 |
|
B |
148 |
39 |
12812 |
◊ |
A |
x,y,z |
1_555 |
151 |
39 |
12818 |
1367.1 |
-14.7 |
0.142 |
19 |
0 |
0 |
0.342 |
| Average: |
1371.3 |
-13.9 |
0.174 |
19 |
0 |
0 |
0.342 |
| 2 |
3 |
|
C |
43 |
16 |
12836 |
◊ |
A |
x,y,z |
1_555 |
42 |
15 |
12818 |
355.8 |
4.5 |
0.951 |
7 |
0 |
0 |
0.000 |
4 |
|
B |
43 |
16 |
12812 |
◊ |
D |
x,y,z-1 |
1_554 |
43 |
16 |
12766 |
353.4 |
4.9 |
0.954 |
5 |
0 |
0 |
0.000 |
| Average: |
354.6 |
4.7 |
0.953 |
6 |
0 |
0 |
0.000 |
| 3 |
5 |
|
C |
34 |
15 |
12836 |
x |
C |
-y,x-y,z |
2_555 |
39 |
14 |
12836 |
350.0 |
-0.8 |
0.618 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
33 |
14 |
12812 |
x |
B |
-y+1,x-y+1,z |
2_665 |
35 |
12 |
12812 |
319.9 |
-0.8 |
0.602 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
35 |
12 |
12818 |
x |
A |
-y+1,x-y+1,z |
2_665 |
36 |
15 |
12818 |
313.4 |
-0.6 |
0.642 |
2 |
0 |
0 |
0.000 |
8 |
|
D |
34 |
12 |
12766 |
x |
D |
-y,x-y,z |
2_555 |
35 |
14 |
12766 |
309.7 |
-0.8 |
0.609 |
2 |
0 |
0 |
0.000 |
| Average: |
323.2 |
-0.7 |
0.618 |
2 |
0 |
0 |
0.000 |
| 4 |
9 |
|
D |
20 |
9 |
12766 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
12818 |
159.2 |
-1.0 |
0.513 |
1 |
1 |
0 |
0.000 |
10 |
|
B |
16 |
6 |
12812 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
9 |
12836 |
157.9 |
-1.0 |
0.505 |
1 |
1 |
0 |
0.000 |
11 |
|
C |
17 |
7 |
12836 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
12812 |
157.0 |
-1.0 |
0.505 |
1 |
1 |
0 |
0.000 |
12 |
|
A |
19 |
8 |
12818 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
6 |
12766 |
156.0 |
-1.1 |
0.484 |
1 |
1 |
0 |
0.000 |
| Average: |
157.5 |
-1.0 |
0.501 |
1 |
1 |
0 |
0.000 |
| 5 |
13 |
|
[GAL]C:298 |
11 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
12836 |
138.9 |
2.4 |
0.312 |
6 |
0 |
0 |
0.009 |
14 |
|
[GAL]A:298 |
11 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
12818 |
138.3 |
2.3 |
0.295 |
6 |
0 |
0 |
0.009 |
15 |
|
[GAL]D:298 |
11 |
1 |
289 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
12766 |
138.1 |
2.4 |
0.313 |
6 |
0 |
0 |
0.009 |
16 |
|
[GAL]B:298 |
11 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
12812 |
137.9 |
2.4 |
0.313 |
6 |
0 |
0 |
0.009 |
| Average: |
138.3 |
2.4 |
0.308 |
6 |
0 |
0 |
0.009 |
| 6 |
17 |
|
[GLA]C:301 |
11 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
25 |
9 |
12836 |
127.0 |
2.5 |
0.329 |
7 |
0 |
0 |
0.022 |
18 |
|
[GLA]D:301 |
11 |
1 |
288 |
f |
D |
x,y,z |
1_555 |
25 |
9 |
12766 |
126.2 |
2.4 |
0.335 |
6 |
0 |
0 |
0.022 |
19 |
|
[GLA]A:301 |
11 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
12818 |
126.0 |
2.4 |
0.348 |
7 |
0 |
0 |
0.022 |
20 |
|
[GLA]B:301 |
11 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
12812 |
125.7 |
2.4 |
0.320 |
7 |
0 |
0 |
0.022 |
| Average: |
126.2 |
2.4 |
0.333 |
7 |
0 |
0 |
0.022 |
| 7 |
21 |
|
[GLA]D:299 |
9 |
1 |
295 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
12766 |
124.3 |
2.1 |
0.357 |
2 |
0 |
0 |
0.000 |
22 |
|
[GLA]C:299 |
9 |
1 |
294 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
12836 |
124.1 |
2.1 |
0.369 |
2 |
0 |
0 |
0.000 |
23 |
|
[GLA]A:299 |
9 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
12818 |
124.0 |
2.1 |
0.351 |
2 |
0 |
0 |
0.000 |
24 |
|
[GLA]B:299 |
9 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
12812 |
123.7 |
2.1 |
0.339 |
2 |
0 |
0 |
0.000 |
| Average: |
124.0 |
2.1 |
0.354 |
2 |
0 |
0 |
0.000 |
| 8 |
25 |
|
[GLA]C:302 |
9 |
1 |
295 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
12836 |
122.6 |
1.7 |
0.278 |
2 |
0 |
0 |
0.000 |
26 |
|
[GLA]D:302 |
9 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
12766 |
122.6 |
1.7 |
0.258 |
2 |
0 |
0 |
0.000 |
27 |
|
[GLA]A:302 |
9 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
12818 |
122.4 |
2.2 |
0.342 |
4 |
0 |
0 |
0.000 |
28 |
|
[GLA]B:302 |
9 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
12812 |
121.3 |
1.7 |
0.284 |
2 |
0 |
0 |
0.000 |
| Average: |
122.2 |
1.8 |
0.291 |
3 |
0 |
0 |
0.000 |
| 9 |
29 |
|
[GLA]D:296 |
9 |
1 |
297 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
12766 |
119.3 |
1.7 |
0.331 |
6 |
0 |
0 |
0.024 |
30 |
|
[GLA]A:296 |
9 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
12818 |
119.1 |
1.7 |
0.340 |
5 |
0 |
0 |
0.024 |
31 |
|
[GLA]B:296 |
9 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
12812 |
118.5 |
2.1 |
0.357 |
6 |
0 |
0 |
0.024 |
32 |
|
[GLA]C:296 |
9 |
1 |
295 |
f |
C |
x,y,z |
1_555 |
29 |
12 |
12836 |
118.3 |
1.6 |
0.290 |
5 |
0 |
0 |
0.024 |
| Average: |
118.8 |
1.8 |
0.329 |
6 |
0 |
0 |
0.024 |
| 10 |
33 |
|
[GAL]D:295 |
11 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
29 |
9 |
12766 |
117.1 |
2.3 |
0.283 |
4 |
0 |
0 |
0.000 |
34 |
|
[GAL]A:295 |
11 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
12818 |
117.0 |
2.3 |
0.314 |
4 |
0 |
0 |
0.000 |
35 |
|
[GAL]C:295 |
11 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
28 |
9 |
12836 |
116.2 |
2.3 |
0.284 |
4 |
0 |
0 |
0.000 |
36 |
|
[GAL]B:295 |
11 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
12812 |
115.6 |
2.3 |
0.282 |
4 |
0 |
0 |
0.000 |
| Average: |
116.5 |
2.3 |
0.291 |
4 |
0 |
0 |
0.000 |
| 11 |
37 |
|
[ACT]D:304 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
12766 |
88.6 |
-0.9 |
0.559 |
2 |
0 |
0 |
0.027 |
| 12 |
38 |
|
[ACT]A:309 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12812 |
88.0 |
-0.9 |
0.550 |
2 |
0 |
0 |
0.026 |
| 13 |
39 |
|
[ACT]A:306 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12818 |
87.3 |
-0.9 |
0.560 |
2 |
0 |
0 |
0.027 |
| 14 |
40 |
|
[ACT]C:306 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
12836 |
87.0 |
-0.9 |
0.570 |
3 |
0 |
0 |
0.033 |
| 15 |
41 |
|
[GLA]B:296 |
7 |
1 |
296 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
12 |
3 |
12812 |
71.0 |
0.2 |
0.200 |
0 |
0 |
0 |
0.000 |
42 |
|
[GLA]C:296 |
7 |
1 |
295 |
◊ |
C |
-y,x-y,z |
2_555 |
12 |
3 |
12836 |
71.0 |
0.2 |
0.196 |
0 |
0 |
0 |
0.000 |
43 |
|
D |
12 |
3 |
12766 |
◊ |
[GLA]D:296 |
-y,x-y,z |
2_555 |
6 |
1 |
297 |
70.8 |
0.2 |
0.238 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
12 |
3 |
12818 |
◊ |
[GLA]A:296 |
-y+1,x-y+1,z |
2_665 |
6 |
1 |
295 |
70.1 |
0.2 |
0.215 |
0 |
0 |
0 |
0.000 |
| Average: |
70.7 |
0.2 |
0.212 |
0 |
0 |
0 |
0.000 |
| 16 |
45 |
|
B |
9 |
3 |
12812 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
8 |
3 |
12818 |
67.0 |
0.3 |
0.712 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
9 |
3 |
12836 |
◊ |
D |
-y,x-y,z |
2_555 |
8 |
3 |
12766 |
66.0 |
0.3 |
0.710 |
0 |
0 |
0 |
0.000 |
| Average: |
66.5 |
0.3 |
0.711 |
0 |
0 |
0 |
0.000 |
| 17 |
47 |
|
A |
8 |
4 |
12818 |
◊ |
B |
-y+1,x-y+1,z+1 |
2_666 |
8 |
3 |
12812 |
62.6 |
0.3 |
0.675 |
2 |
0 |
0 |
0.000 |
48 |
|
D |
7 |
3 |
12766 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
7 |
3 |
12836 |
59.9 |
0.3 |
0.681 |
2 |
0 |
0 |
0.000 |
| Average: |
61.3 |
0.3 |
0.678 |
2 |
0 |
0 |
0.000 |
| 18 |
49 |
|
[GAL]C:298 |
5 |
1 |
290 |
cf |
[FUC]C:297 |
x,y,z |
1_555 |
7 |
1 |
289 |
59.7 |
2.4 |
0.222 |
0 |
0 |
0 |
0.000 |
50 |
|
[GAL]A:298 |
5 |
1 |
290 |
cf |
[FUC]A:297 |
x,y,z |
1_555 |
6 |
1 |
289 |
59.5 |
2.5 |
0.257 |
0 |
0 |
0 |
0.000 |
51 |
|
[GAL]D:298 |
5 |
1 |
289 |
cf |
[FUC]D:297 |
x,y,z |
1_555 |
7 |
1 |
290 |
59.3 |
2.4 |
0.238 |
0 |
0 |
0 |
0.000 |
52 |
|
[GAL]B:298 |
5 |
1 |
290 |
cf |
[FUC]B:297 |
x,y,z |
1_555 |
6 |
1 |
288 |
59.3 |
2.5 |
0.239 |
0 |
0 |
0 |
0.000 |
| Average: |
59.4 |
2.4 |
0.239 |
0 |
0 |
0 |
0.000 |
| 19 |
53 |
|
[GLA]C:301 |
5 |
1 |
290 |
cf |
[FUC]C:300 |
x,y,z |
1_555 |
7 |
1 |
288 |
56.1 |
2.5 |
0.240 |
0 |
0 |
0 |
0.000 |
54 |
|
[GLA]A:301 |
5 |
1 |
288 |
cf |
[FUC]A:300 |
x,y,z |
1_555 |
7 |
1 |
289 |
56.0 |
2.5 |
0.263 |
0 |
0 |
0 |
0.000 |
55 |
|
[GLA]B:301 |
5 |
1 |
288 |
cf |
[FUC]B:300 |
x,y,z |
1_555 |
7 |
1 |
288 |
55.7 |
2.5 |
0.254 |
0 |
0 |
0 |
0.000 |
56 |
|
[GLA]D:301 |
5 |
1 |
288 |
cf |
[FUC]D:300 |
x,y,z |
1_555 |
7 |
1 |
286 |
55.0 |
2.4 |
0.226 |
0 |
0 |
0 |
0.000 |
| Average: |
55.7 |
2.5 |
0.246 |
0 |
0 |
0 |
0.000 |
| 20 |
57 |
|
[GLA]B:299 |
6 |
1 |
295 |
cf |
[GAL]B:298 |
x,y,z |
1_555 |
7 |
1 |
290 |
55.2 |
2.5 |
0.154 |
0 |
0 |
0 |
0.000 |
58 |
|
[GLA]A:299 |
6 |
1 |
295 |
cf |
[GAL]A:298 |
x,y,z |
1_555 |
7 |
1 |
290 |
55.2 |
2.5 |
0.162 |
0 |
0 |
0 |
0.000 |
59 |
|
[GLA]C:299 |
6 |
1 |
294 |
cf |
[GAL]C:298 |
x,y,z |
1_555 |
7 |
1 |
290 |
55.1 |
2.5 |
0.175 |
0 |
0 |
0 |
0.000 |
60 |
|
[GLA]D:299 |
6 |
1 |
295 |
cf |
[GAL]D:298 |
x,y,z |
1_555 |
6 |
1 |
289 |
54.8 |
2.5 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
55.1 |
2.5 |
0.168 |
0 |
0 |
0 |
0.000 |
| 21 |
61 |
|
[GLA]B:302 |
6 |
1 |
294 |
cf |
[GLA]B:301 |
x,y,z |
1_555 |
7 |
1 |
288 |
54.6 |
2.3 |
0.166 |
0 |
0 |
0 |
0.000 |
62 |
|
[GLA]C:302 |
7 |
1 |
295 |
cf |
[GLA]C:301 |
x,y,z |
1_555 |
7 |
1 |
290 |
54.0 |
2.3 |
0.148 |
0 |
0 |
0 |
0.000 |
63 |
|
[GLA]A:302 |
7 |
1 |
293 |
cf |
[GLA]A:301 |
x,y,z |
1_555 |
7 |
1 |
288 |
53.6 |
2.3 |
0.163 |
0 |
0 |
0 |
0.000 |
64 |
|
[GLA]D:302 |
6 |
1 |
294 |
cf |
[GLA]D:301 |
x,y,z |
1_555 |
7 |
1 |
288 |
53.6 |
2.3 |
0.147 |
0 |
0 |
0 |
0.000 |
| Average: |
54.0 |
2.3 |
0.156 |
0 |
0 |
0 |
0.000 |
| 22 |
65 |
|
[FUC]C:294 |
6 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
9 |
2 |
12836 |
54.5 |
0.5 |
0.288 |
0 |
0 |
0 |
0.000 |
66 |
|
[FUC]A:294 |
5 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
12818 |
54.5 |
0.5 |
0.332 |
0 |
0 |
0 |
0.000 |
67 |
|
[FUC]B:294 |
6 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
12812 |
54.3 |
0.5 |
0.293 |
0 |
0 |
0 |
0.000 |
68 |
|
[FUC]D:294 |
6 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
12766 |
53.7 |
0.5 |
0.287 |
0 |
0 |
0 |
0.000 |
| Average: |
54.3 |
0.5 |
0.300 |
0 |
0 |
0 |
0.000 |
| 23 |
69 |
|
[GAL]C:295 |
5 |
1 |
290 |
cf |
[FUC]C:294 |
x,y,z |
1_555 |
7 |
1 |
290 |
52.7 |
2.2 |
0.234 |
0 |
0 |
0 |
0.000 |
70 |
|
[GAL]D:295 |
5 |
1 |
290 |
cf |
[FUC]D:294 |
x,y,z |
1_555 |
7 |
1 |
290 |
52.6 |
2.2 |
0.234 |
0 |
0 |
0 |
0.000 |
71 |
|
[GAL]A:295 |
5 |
1 |
292 |
cf |
[FUC]A:294 |
x,y,z |
1_555 |
7 |
1 |
289 |
52.4 |
2.2 |
0.238 |
0 |
0 |
0 |
0.000 |
72 |
|
[GAL]B:295 |
5 |
1 |
289 |
cf |
[FUC]B:294 |
x,y,z |
1_555 |
7 |
1 |
291 |
52.3 |
2.2 |
0.234 |
0 |
0 |
0 |
0.000 |
| Average: |
52.5 |
2.2 |
0.235 |
0 |
0 |
0 |
0.000 |
| 24 |
73 |
|
D |
7 |
3 |
12766 |
◊ |
[GLA]C:302 |
-y,x-y,z+1 |
2_556 |
4 |
1 |
295 |
49.2 |
1.1 |
0.403 |
0 |
0 |
0 |
0.000 |
74 |
|
[GLA]D:302 |
4 |
1 |
294 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
6 |
3 |
12836 |
48.8 |
1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
75 |
|
A |
6 |
3 |
12818 |
◊ |
[GLA]B:302 |
-y+1,x-y+1,z+1 |
2_666 |
4 |
1 |
294 |
48.6 |
1.1 |
0.389 |
0 |
0 |
0 |
0.000 |
76 |
|
[GLA]A:302 |
4 |
1 |
293 |
◊ |
B |
-y+1,x-y+1,z+1 |
2_666 |
7 |
3 |
12812 |
48.3 |
1.1 |
0.403 |
0 |
0 |
0 |
0.000 |
| Average: |
48.7 |
1.1 |
0.397 |
0 |
0 |
0 |
0.000 |
| 25 |
77 |
|
[GLA]A:296 |
6 |
1 |
295 |
cf |
[GAL]A:295 |
x,y,z |
1_555 |
7 |
1 |
292 |
47.1 |
2.0 |
0.157 |
0 |
0 |
0 |
0.000 |
78 |
|
[GLA]D:296 |
6 |
1 |
297 |
cf |
[GAL]D:295 |
x,y,z |
1_555 |
7 |
1 |
290 |
46.9 |
2.0 |
0.128 |
0 |
0 |
0 |
0.000 |
79 |
|
[GLA]B:296 |
6 |
1 |
296 |
cf |
[GAL]B:295 |
x,y,z |
1_555 |
7 |
1 |
289 |
46.7 |
2.0 |
0.133 |
0 |
0 |
0 |
0.000 |
80 |
|
[GLA]C:296 |
6 |
1 |
295 |
cf |
[GAL]C:295 |
x,y,z |
1_555 |
7 |
1 |
290 |
46.0 |
2.0 |
0.122 |
0 |
0 |
0 |
0.000 |
| Average: |
46.7 |
2.0 |
0.135 |
0 |
0 |
0 |
0.000 |
| 26 |
81 |
|
[ACT]C:306 |
3 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
12766 |
46.4 |
-0.4 |
0.582 |
0 |
0 |
0 |
0.006 |
| 27 |
82 |
|
[ACT]A:309 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12818 |
46.4 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.006 |
83 |
|
[ACT]D:304 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
12836 |
44.1 |
-0.4 |
0.585 |
0 |
0 |
0 |
0.006 |
| Average: |
45.3 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.006 |
| 28 |
84 |
|
[GLA]A:299 |
7 |
1 |
295 |
f |
[FUC]A:297 |
x,y,z |
1_555 |
4 |
1 |
289 |
45.9 |
2.2 |
0.230 |
0 |
0 |
0 |
0.000 |
85 |
|
[GLA]B:299 |
8 |
1 |
295 |
f |
[FUC]B:297 |
x,y,z |
1_555 |
4 |
1 |
288 |
45.6 |
2.2 |
0.198 |
0 |
0 |
0 |
0.000 |
86 |
|
[GLA]D:299 |
7 |
1 |
295 |
f |
[FUC]D:297 |
x,y,z |
1_555 |
4 |
1 |
290 |
45.4 |
2.2 |
0.228 |
0 |
0 |
0 |
0.000 |
87 |
|
[GLA]C:299 |
7 |
1 |
294 |
f |
[FUC]C:297 |
x,y,z |
1_555 |
4 |
1 |
289 |
44.6 |
2.1 |
0.228 |
0 |
0 |
0 |
0.000 |
| Average: |
45.4 |
2.2 |
0.221 |
0 |
0 |
0 |
0.000 |
| 29 |
88 |
|
[ACT]A:306 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12812 |
45.9 |
-0.4 |
0.562 |
0 |
0 |
0 |
0.006 |
| 30 |
89 |
|
[FUC]A:300 |
6 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12818 |
44.3 |
0.7 |
0.309 |
0 |
0 |
0 |
0.000 |
90 |
|
[FUC]C:300 |
6 |
1 |
288 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
12836 |
44.1 |
0.8 |
0.322 |
0 |
0 |
0 |
0.000 |
91 |
|
[FUC]B:300 |
6 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12812 |
44.0 |
0.8 |
0.325 |
0 |
0 |
0 |
0.000 |
92 |
|
[FUC]D:300 |
6 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
12766 |
43.9 |
0.7 |
0.308 |
0 |
0 |
0 |
0.000 |
| Average: |
44.0 |
0.8 |
0.316 |
0 |
0 |
0 |
0.000 |
| 31 |
93 |
|
[FUC]B:297 |
5 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
12812 |
41.8 |
0.8 |
0.324 |
0 |
0 |
0 |
0.000 |
94 |
|
[FUC]D:297 |
5 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
12766 |
41.7 |
0.7 |
0.322 |
0 |
0 |
0 |
0.000 |
95 |
|
[FUC]C:297 |
5 |
1 |
289 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
12836 |
41.7 |
0.7 |
0.323 |
0 |
0 |
0 |
0.000 |
96 |
|
[FUC]A:297 |
5 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
12818 |
41.5 |
0.7 |
0.362 |
0 |
0 |
0 |
0.000 |
| Average: |
41.7 |
0.7 |
0.333 |
0 |
0 |
0 |
0.000 |
| 32 |
97 |
|
[GLA]B:302 |
6 |
1 |
294 |
f |
[FUC]B:300 |
x,y,z |
1_555 |
3 |
1 |
288 |
39.9 |
1.8 |
0.246 |
0 |
0 |
0 |
0.000 |
98 |
|
[GLA]A:302 |
7 |
1 |
293 |
f |
[FUC]A:300 |
x,y,z |
1_555 |
4 |
1 |
289 |
38.9 |
1.7 |
0.204 |
0 |
0 |
0 |
0.000 |
99 |
|
[GLA]C:302 |
7 |
1 |
295 |
f |
[FUC]C:300 |
x,y,z |
1_555 |
4 |
1 |
288 |
38.8 |
1.7 |
0.195 |
0 |
0 |
0 |
0.000 |
100 |
|
[GLA]D:302 |
6 |
1 |
294 |
f |
[FUC]D:300 |
x,y,z |
1_555 |
4 |
1 |
286 |
37.8 |
1.7 |
0.192 |
0 |
0 |
0 |
0.000 |
| Average: |
38.9 |
1.7 |
0.209 |
0 |
0 |
0 |
0.000 |
| 33 |
101 |
|
[CA]C:307 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
12836 |
39.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.213 |
102 |
|
[CA]D:305 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
12766 |
39.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.213 |
103 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12812 |
39.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.213 |
104 |
|
[CA]A:307 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12818 |
38.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
39.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.213 |
| 34 |
105 |
|
[CA]D:306 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12766 |
38.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.232 |
106 |
|
[CA]A:308 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12818 |
38.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.232 |
107 |
|
[CA]B:306 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12812 |
38.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.232 |
108 |
|
[CA]C:308 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
12836 |
38.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.232 |
| Average: |
38.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.232 |
| 35 |
109 |
|
[GLA]B:296 |
7 |
1 |
296 |
f |
[FUC]B:294 |
x,y,z |
1_555 |
5 |
1 |
291 |
38.6 |
1.9 |
0.229 |
0 |
0 |
0 |
0.000 |
110 |
|
[GLA]C:296 |
7 |
1 |
295 |
f |
[FUC]C:294 |
x,y,z |
1_555 |
5 |
1 |
290 |
38.4 |
1.9 |
0.228 |
0 |
0 |
0 |
0.000 |
111 |
|
[GLA]D:296 |
7 |
1 |
297 |
f |
[FUC]D:294 |
x,y,z |
1_555 |
5 |
1 |
290 |
38.2 |
1.9 |
0.232 |
0 |
0 |
0 |
0.000 |
112 |
|
[GLA]A:296 |
7 |
1 |
295 |
f |
[FUC]A:294 |
x,y,z |
1_555 |
5 |
1 |
289 |
37.9 |
1.9 |
0.210 |
0 |
0 |
0 |
0.000 |
| Average: |
38.2 |
1.9 |
0.225 |
0 |
0 |
0 |
0.000 |
| 36 |
113 |
|
[FUC]A:300 |
4 |
1 |
289 |
◊ |
B |
-y+1,x-y+1,z+1 |
2_666 |
3 |
2 |
12812 |
33.0 |
1.6 |
0.503 |
0 |
0 |
0 |
0.000 |
114 |
|
D |
3 |
2 |
12766 |
◊ |
[FUC]C:300 |
-y,x-y,z+1 |
2_556 |
4 |
1 |
288 |
31.3 |
1.5 |
0.483 |
0 |
0 |
0 |
0.000 |
115 |
|
[FUC]D:300 |
4 |
1 |
286 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
3 |
2 |
12836 |
31.1 |
1.5 |
0.483 |
0 |
0 |
0 |
0.000 |
116 |
|
A |
3 |
2 |
12818 |
◊ |
[FUC]B:300 |
-y+1,x-y+1,z+1 |
2_666 |
4 |
1 |
288 |
30.9 |
1.5 |
0.483 |
0 |
0 |
0 |
0.000 |
| Average: |
31.6 |
1.5 |
0.488 |
0 |
0 |
0 |
0.000 |
| 37 |
117 |
|
[FUC]C:294 |
4 |
1 |
290 |
◊ |
[GAL]C:295 |
-y,x-y,z |
2_555 |
3 |
1 |
290 |
32.7 |
1.0 |
0.263 |
0 |
0 |
0 |
0.000 |
118 |
|
[FUC]B:294 |
4 |
1 |
291 |
◊ |
[GAL]B:295 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
289 |
32.3 |
0.9 |
0.254 |
0 |
0 |
0 |
0.000 |
119 |
|
[GAL]A:295 |
3 |
1 |
292 |
◊ |
[FUC]A:294 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
289 |
32.2 |
0.9 |
0.241 |
0 |
0 |
0 |
0.000 |
120 |
|
[GAL]D:295 |
3 |
1 |
290 |
◊ |
[FUC]D:294 |
-y,x-y,z |
2_555 |
4 |
1 |
290 |
31.9 |
0.9 |
0.233 |
0 |
0 |
0 |
0.000 |
| Average: |
32.3 |
0.9 |
0.248 |
0 |
0 |
0 |
0.000 |
| 38 |
121 |
|
[FUC]C:294 |
5 |
1 |
290 |
◊ |
C |
-y,x-y,z |
2_555 |
4 |
2 |
12836 |
32.1 |
0.8 |
0.351 |
0 |
0 |
0 |
0.000 |
122 |
|
D |
3 |
2 |
12766 |
◊ |
[FUC]D:294 |
-y,x-y,z |
2_555 |
5 |
1 |
290 |
32.0 |
0.8 |
0.352 |
0 |
0 |
0 |
0.000 |
123 |
|
[FUC]B:294 |
5 |
1 |
291 |
◊ |
B |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
12812 |
31.7 |
0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
124 |
|
A |
3 |
2 |
12818 |
◊ |
[FUC]A:294 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
289 |
31.0 |
0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
| Average: |
31.7 |
0.8 |
0.353 |
0 |
0 |
0 |
0.000 |
| 39 |
125 |
|
[FUC]A:294 |
5 |
1 |
289 |
x |
[FUC]A:294 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
289 |
32.0 |
1.3 |
0.275 |
0 |
0 |
0 |
0.000 |
126 |
|
[FUC]D:294 |
5 |
1 |
290 |
x |
[FUC]D:294 |
-y,x-y,z |
2_555 |
3 |
1 |
290 |
31.3 |
1.3 |
0.297 |
0 |
0 |
0 |
0.000 |
127 |
|
[FUC]C:294 |
3 |
1 |
290 |
x |
[FUC]C:294 |
-y,x-y,z |
2_555 |
5 |
1 |
290 |
31.0 |
1.3 |
0.299 |
0 |
0 |
0 |
0.000 |
128 |
|
[FUC]B:294 |
3 |
1 |
291 |
x |
[FUC]B:294 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
291 |
31.0 |
1.3 |
0.277 |
0 |
0 |
0 |
0.000 |
| Average: |
31.3 |
1.3 |
0.287 |
0 |
0 |
0 |
0.000 |
| 40 |
129 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
12836 |
30.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.374 |
130 |
|
[CA]D:303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
12766 |
30.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.374 |
131 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12818 |
30.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.374 |
132 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12812 |
30.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.374 |
133 |
|
[CA]C:303 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
12836 |
28.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.374 |
134 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
12818 |
28.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.374 |
135 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
12812 |
28.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.374 |
136 |
|
[CA]C:305 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
12766 |
28.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.374 |
| Average: |
29.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.374 |
| 41 |
137 |
|
[CA]C:303 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
12766 |
25.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.132 |
138 |
|
[CA]A:304 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12812 |
25.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.132 |
139 |
|
[CA]A:305 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12818 |
25.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.132 |
140 |
|
[CA]C:305 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12836 |
25.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
25.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.132 |
| 42 |
141 |
|
[CA]A:303 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12812 |
24.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.119 |
142 |
|
[CA]C:304 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
12766 |
24.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.119 |
143 |
|
[CA]B:303 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12818 |
24.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.119 |
144 |
|
[CA]D:303 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12836 |
23.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.119 |
| Average: |
24.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.119 |
| 43 |
145 |
|
[CA]A:307 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12812 |
18.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
146 |
|
[CA]B:305 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12818 |
17.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.096 |
147 |
|
[CA]D:305 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
12836 |
17.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.096 |
148 |
|
[CA]C:307 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
12766 |
17.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
17.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.096 |
| 44 |
149 |
|
[GLA]D:301 |
3 |
1 |
288 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
4 |
3 |
12836 |
17.7 |
0.0 |
0.262 |
0 |
0 |
0 |
0.000 |
150 |
|
A |
3 |
2 |
12818 |
◊ |
[GLA]B:301 |
-y+1,x-y+1,z+1 |
2_666 |
3 |
1 |
288 |
17.6 |
-0.0 |
0.232 |
0 |
0 |
0 |
0.000 |
151 |
|
[GLA]A:301 |
3 |
1 |
288 |
◊ |
B |
-y+1,x-y+1,z+1 |
2_666 |
4 |
3 |
12812 |
17.5 |
0.0 |
0.279 |
0 |
0 |
0 |
0.000 |
152 |
|
D |
3 |
2 |
12766 |
◊ |
[GLA]C:301 |
-y,x-y,z+1 |
2_556 |
2 |
1 |
290 |
16.9 |
0.0 |
0.265 |
0 |
0 |
0 |
0.000 |
| Average: |
17.4 |
0.0 |
0.260 |
0 |
0 |
0 |
0.000 |
| 45 |
153 |
|
[GLA]B:296 |
3 |
1 |
296 |
◊ |
[GAL]B:295 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
289 |
15.9 |
1.0 |
0.192 |
0 |
0 |
0 |
0.000 |
154 |
|
[GAL]D:295 |
4 |
1 |
290 |
◊ |
[GLA]D:296 |
-y,x-y,z |
2_555 |
3 |
1 |
297 |
15.4 |
1.0 |
0.192 |
0 |
0 |
0 |
0.000 |
155 |
|
[GLA]C:296 |
3 |
1 |
295 |
◊ |
[GAL]C:295 |
-y,x-y,z |
2_555 |
4 |
1 |
290 |
15.3 |
1.0 |
0.210 |
0 |
0 |
0 |
0.000 |
156 |
|
[GAL]A:295 |
4 |
1 |
292 |
◊ |
[GLA]A:296 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
295 |
15.1 |
0.9 |
0.210 |
0 |
0 |
0 |
0.000 |
| Average: |
15.4 |
1.0 |
0.201 |
0 |
0 |
0 |
0.000 |
| 46 |
157 |
|
[ACT]D:304 |
1 |
1 |
182 |
f |
[CA]C:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.057 |
158 |
|
[ACT]C:306 |
1 |
1 |
181 |
f |
[CA]C:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.057 |
159 |
|
[ACT]A:309 |
1 |
1 |
182 |
f |
[CA]A:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
11.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.057 |
| 47 |
160 |
|
[ACT]A:306 |
1 |
1 |
183 |
f |
[CA]A:304 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 48 |
161 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
[CA]A:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| 49 |
162 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| 50 |
163 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
[CA]C:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 51 |
164 |
|
[CA]D:303 |
1 |
1 |
85 |
f |
[CA]C:305 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
| 52 |
165 |
|
[GLA]D:302 |
1 |
1 |
294 |
◊ |
[GLA]C:302 |
-y,x-y,z+1 |
2_556 |
1 |
1 |
295 |
0.8 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
166 |
|
[GLA]A:302 |
1 |
1 |
293 |
◊ |
[GLA]B:302 |
-y+1,x-y+1,z+1 |
2_666 |
1 |
1 |
294 |
0.5 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
0.7 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|