## |
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 |
35 |
9 |
6364 |
◊ |
C |
x,y-1,z |
1_545 |
35 |
9 |
6321 |
296.9 |
0.0 |
0.652 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
30 |
11 |
6321 |
◊ |
D |
x-1,y,z |
1_455 |
39 |
14 |
6288 |
293.9 |
-3.3 |
0.242 |
3 |
0 |
0 |
0.000 |
3 |
|
B |
27 |
11 |
6364 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
6333 |
268.1 |
-3.1 |
0.222 |
2 |
0 |
0 |
0.000 |
Average: |
281.0 |
-3.2 |
0.232 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
31 |
16 |
6364 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
34 |
16 |
6288 |
261.9 |
0.6 |
0.711 |
4 |
0 |
0 |
0.000 |
5 |
|
C |
27 |
12 |
6321 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
13 |
6333 |
249.1 |
0.5 |
0.612 |
3 |
0 |
0 |
0.000 |
6 |
|
D |
32 |
16 |
6288 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
6364 |
219.3 |
0.4 |
0.624 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
28 |
12 |
6333 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
23 |
14 |
6321 |
215.7 |
0.1 |
0.578 |
3 |
0 |
0 |
0.000 |
Average: |
236.5 |
0.4 |
0.631 |
3 |
0 |
0 |
0.000 |
4 |
8 |
|
C |
28 |
8 |
6321 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
6333 |
214.5 |
-0.5 |
0.550 |
3 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
21 |
8 |
6364 |
◊ |
D |
x,y-1,z |
1_545 |
20 |
7 |
6288 |
186.5 |
-1.4 |
0.361 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[AAL]A:1006 |
10 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
33 |
8 |
6333 |
136.2 |
2.3 |
0.410 |
3 |
0 |
0 |
0.000 |
11 |
|
[AAL]C:1006 |
10 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
31 |
8 |
6321 |
135.7 |
2.2 |
0.384 |
3 |
0 |
0 |
0.000 |
12 |
|
[AAL]B:1006 |
10 |
1 |
264 |
f |
D |
x,y,z |
1_555 |
33 |
8 |
6288 |
134.0 |
2.0 |
0.430 |
3 |
0 |
0 |
0.000 |
13 |
|
[AAL]D:1006 |
10 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
31 |
8 |
6364 |
131.1 |
2.1 |
0.398 |
3 |
0 |
0 |
0.000 |
Average: |
134.3 |
2.1 |
0.406 |
3 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
17 |
5 |
6321 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
15 |
4 |
6288 |
133.1 |
-0.6 |
0.468 |
1 |
0 |
0 |
0.000 |
15 |
|
B |
18 |
5 |
6364 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
4 |
6333 |
121.2 |
-0.5 |
0.479 |
1 |
0 |
0 |
0.000 |
Average: |
127.2 |
-0.5 |
0.474 |
1 |
0 |
0 |
0.000 |
8 |
16 |
|
A |
17 |
8 |
6333 |
◊ |
[GAL]C:1001 |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
1 |
305 |
113.7 |
3.3 |
0.342 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
B |
18 |
7 |
6364 |
◊ |
[AAL]B:1004 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
262 |
108.4 |
2.9 |
0.516 |
2 |
0 |
0 |
0.000 |
10 |
18 |
|
[AAL]C:1004 |
8 |
1 |
263 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
7 |
6333 |
108.3 |
2.8 |
0.520 |
2 |
0 |
0 |
0.000 |
19 |
|
[AAL]D:1004 |
8 |
1 |
261 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
6288 |
108.0 |
2.7 |
0.499 |
3 |
0 |
0 |
0.000 |
20 |
|
[AAL]A:1004 |
8 |
1 |
262 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
17 |
7 |
6321 |
106.2 |
2.6 |
0.491 |
2 |
0 |
0 |
0.000 |
Average: |
107.5 |
2.7 |
0.503 |
2 |
0 |
0 |
0.000 |
11 |
21 |
|
[GAL]C:1005 |
9 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
6321 |
105.9 |
1.4 |
0.257 |
1 |
0 |
0 |
0.000 |
22 |
|
[GAL]D:1005 |
9 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
6364 |
105.0 |
1.4 |
0.281 |
1 |
0 |
0 |
0.000 |
23 |
|
[GAL]B:1005 |
9 |
1 |
293 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
6288 |
102.3 |
1.4 |
0.282 |
1 |
0 |
0 |
0.000 |
24 |
|
[GAL]A:1005 |
9 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
6333 |
102.2 |
1.4 |
0.291 |
1 |
0 |
0 |
0.000 |
Average: |
103.9 |
1.4 |
0.278 |
1 |
0 |
0 |
0.000 |
12 |
25 |
|
[GAL]D:1001 |
7 |
1 |
305 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
16 |
6 |
6288 |
92.4 |
1.0 |
0.285 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[EDO]C:1146 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
6321 |
90.4 |
3.1 |
0.500 |
3 |
0 |
0 |
0.000 |
14 |
27 |
|
[EDO]B:1141 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
6364 |
89.0 |
1.6 |
0.363 |
2 |
0 |
0 |
0.000 |
15 |
28 |
|
[EDO]C:1145 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
6321 |
87.9 |
1.8 |
0.374 |
3 |
0 |
0 |
0.000 |
16 |
29 |
|
A |
10 |
4 |
6333 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
6 |
6333 |
87.8 |
0.3 |
0.621 |
1 |
0 |
0 |
0.000 |
30 |
|
D |
4 |
3 |
6288 |
x |
D |
x-1/2,-y+3/2,-z |
4_465 |
5 |
2 |
6288 |
19.1 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
Average: |
53.4 |
0.2 |
0.593 |
1 |
0 |
0 |
0.000 |
17 |
31 |
|
[EDO]C:1141 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
6321 |
87.1 |
2.8 |
0.510 |
3 |
0 |
0 |
0.000 |
18 |
32 |
|
[GAL]A:1005 |
8 |
1 |
292 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
6 |
6321 |
84.9 |
0.9 |
0.240 |
5 |
0 |
0 |
0.000 |
33 |
|
B |
13 |
7 |
6364 |
◊ |
[GAL]B:1005 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
293 |
83.1 |
0.9 |
0.236 |
5 |
0 |
0 |
0.000 |
34 |
|
[GAL]C:1005 |
8 |
1 |
291 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
6333 |
74.6 |
0.9 |
0.215 |
5 |
0 |
0 |
0.000 |
35 |
|
[GAL]D:1005 |
8 |
1 |
292 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
6288 |
73.8 |
0.8 |
0.227 |
5 |
0 |
0 |
0.000 |
Average: |
79.1 |
0.9 |
0.230 |
5 |
0 |
0 |
0.000 |
19 |
36 |
|
B |
13 |
6 |
6364 |
◊ |
[EDO]D:1143 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
81.4 |
1.5 |
0.186 |
1 |
0 |
0 |
0.000 |
20 |
37 |
|
[GAL]C:1003 |
8 |
1 |
290 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
6 |
6333 |
79.9 |
1.8 |
0.283 |
0 |
0 |
0 |
0.000 |
38 |
|
[GAL]A:1003 |
8 |
1 |
289 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
5 |
6321 |
78.9 |
1.9 |
0.319 |
0 |
0 |
0 |
0.000 |
39 |
|
[GAL]D:1003 |
9 |
1 |
293 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
6288 |
78.6 |
1.8 |
0.299 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
12 |
5 |
6364 |
◊ |
[GAL]B:1003 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
294 |
76.2 |
1.9 |
0.304 |
0 |
0 |
0 |
0.000 |
Average: |
78.4 |
1.9 |
0.301 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
[EDO]B:1145 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6364 |
78.8 |
1.3 |
0.525 |
1 |
0 |
0 |
0.000 |
22 |
42 |
|
[EDO]B:1142 |
4 |
1 |
184 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
6 |
6333 |
77.9 |
1.7 |
0.218 |
1 |
0 |
0 |
0.000 |
23 |
43 |
|
[EDO]B:1141 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
6333 |
70.3 |
1.6 |
0.210 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
[EDO]B:1142 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6364 |
66.4 |
1.4 |
0.162 |
1 |
0 |
0 |
0.000 |
25 |
45 |
|
[EDO]C:1145 |
4 |
1 |
182 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
6 |
6288 |
65.7 |
1.6 |
0.206 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[CL]D:1141 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
6288 |
63.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.024 |
47 |
|
[CL]A:1143 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6333 |
62.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.024 |
48 |
|
[CL]B:1144 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6364 |
57.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
61.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.024 |
27 |
49 |
|
[CL]A:1141 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6333 |
62.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.028 |
50 |
|
[CL]B:1143 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6364 |
61.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.028 |
51 |
|
[CL]D:1142 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
6288 |
59.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.028 |
52 |
|
[CL]C:1142 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6321 |
55.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
59.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.028 |
28 |
53 |
|
[AAL]A:1002 |
6 |
1 |
260 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
4 |
6321 |
60.5 |
0.6 |
0.282 |
0 |
0 |
0 |
0.000 |
54 |
|
[AAL]D:1002 |
6 |
1 |
262 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
6288 |
58.0 |
0.3 |
0.256 |
0 |
0 |
0 |
0.000 |
55 |
|
B |
7 |
4 |
6364 |
◊ |
[AAL]B:1002 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
263 |
55.4 |
0.2 |
0.228 |
0 |
0 |
0 |
0.000 |
Average: |
58.0 |
0.4 |
0.255 |
0 |
0 |
0 |
0.000 |
29 |
56 |
|
D |
6 |
2 |
6288 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
6321 |
59.6 |
-0.5 |
0.406 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
[AAL]C:1002 |
6 |
1 |
264 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
6333 |
57.6 |
0.6 |
0.273 |
0 |
0 |
0 |
0.000 |
31 |
58 |
|
[GAL]A:1001 |
7 |
1 |
309 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
6321 |
56.7 |
-0.0 |
0.151 |
0 |
0 |
0 |
0.000 |
32 |
59 |
|
[CL]C:1143 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
6321 |
56.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
60 |
|
[AAL]B:1002 |
5 |
1 |
263 |
cf |
[GAL]B:1001 |
x,y,z |
1_555 |
6 |
1 |
303 |
56.3 |
2.0 |
0.227 |
0 |
0 |
0 |
0.000 |
34 |
61 |
|
[AAL]A:1002 |
6 |
1 |
260 |
cf |
[GAL]A:1001 |
x,y,z |
1_555 |
6 |
1 |
309 |
55.0 |
1.8 |
0.198 |
0 |
0 |
0 |
0.000 |
35 |
62 |
|
[AAL]C:1002 |
6 |
1 |
264 |
cf |
[GAL]C:1001 |
x,y,z |
1_555 |
5 |
1 |
305 |
54.5 |
1.4 |
0.165 |
0 |
0 |
0 |
0.000 |
36 |
63 |
|
[AAL]C:1002 |
5 |
1 |
264 |
cf |
[GAL]C:1003 |
x,y,z |
1_555 |
6 |
1 |
290 |
54.3 |
1.3 |
0.135 |
0 |
0 |
0 |
0.000 |
64 |
|
[AAL]D:1002 |
5 |
1 |
262 |
cf |
[GAL]D:1003 |
x,y,z |
1_555 |
5 |
1 |
293 |
53.3 |
1.3 |
0.187 |
0 |
0 |
0 |
0.000 |
65 |
|
[AAL]A:1002 |
5 |
1 |
260 |
cf |
[GAL]A:1003 |
x,y,z |
1_555 |
6 |
1 |
289 |
52.7 |
1.2 |
0.129 |
0 |
0 |
0 |
0.000 |
Average: |
53.4 |
1.2 |
0.150 |
0 |
0 |
0 |
0.000 |
37 |
66 |
|
[AAL]D:1002 |
6 |
1 |
262 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
7 |
4 |
6288 |
54.1 |
1.3 |
0.377 |
0 |
0 |
0 |
0.000 |
38 |
67 |
|
B |
5 |
1 |
6364 |
◊ |
[GAL]B:1001 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
303 |
53.8 |
0.9 |
0.215 |
1 |
0 |
0 |
0.000 |
39 |
68 |
|
[AAL]B:1002 |
6 |
1 |
263 |
cf |
[GAL]B:1003 |
x,y,z |
1_555 |
5 |
1 |
294 |
53.8 |
1.0 |
0.131 |
0 |
0 |
0 |
0.000 |
40 |
69 |
|
[AAL]B:1004 |
4 |
1 |
262 |
cf |
[GAL]B:1003 |
x,y,z |
1_555 |
5 |
1 |
294 |
53.8 |
1.5 |
0.190 |
0 |
0 |
0 |
0.000 |
70 |
|
[AAL]C:1004 |
5 |
1 |
263 |
cf |
[GAL]C:1003 |
x,y,z |
1_555 |
5 |
1 |
290 |
53.4 |
1.5 |
0.157 |
0 |
0 |
0 |
0.000 |
71 |
|
[AAL]D:1004 |
4 |
1 |
261 |
cf |
[GAL]D:1003 |
x,y,z |
1_555 |
5 |
1 |
293 |
52.5 |
1.4 |
0.172 |
0 |
0 |
0 |
0.000 |
72 |
|
[AAL]A:1004 |
4 |
1 |
262 |
cf |
[GAL]A:1003 |
x,y,z |
1_555 |
5 |
1 |
289 |
52.5 |
1.4 |
0.180 |
0 |
0 |
0 |
0.000 |
Average: |
53.1 |
1.5 |
0.175 |
0 |
0 |
0 |
0.000 |
41 |
73 |
|
A |
8 |
4 |
6333 |
◊ |
[AAL]C:1002 |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
264 |
53.3 |
1.3 |
0.362 |
0 |
0 |
0 |
0.000 |
42 |
74 |
|
[AAL]D:1004 |
6 |
1 |
261 |
cf |
[GAL]D:1005 |
x,y,z |
1_555 |
6 |
1 |
292 |
52.6 |
0.7 |
0.115 |
0 |
0 |
0 |
0.000 |
75 |
|
[AAL]C:1004 |
6 |
1 |
263 |
cf |
[GAL]C:1005 |
x,y,z |
1_555 |
6 |
1 |
291 |
52.6 |
0.8 |
0.111 |
0 |
0 |
0 |
0.000 |
76 |
|
[AAL]A:1004 |
6 |
1 |
262 |
cf |
[GAL]A:1005 |
x,y,z |
1_555 |
6 |
1 |
292 |
51.9 |
0.7 |
0.114 |
0 |
0 |
0 |
0.000 |
77 |
|
[AAL]B:1004 |
7 |
1 |
262 |
cf |
[GAL]B:1005 |
x,y,z |
1_555 |
6 |
1 |
293 |
50.6 |
0.5 |
0.098 |
0 |
0 |
0 |
0.000 |
Average: |
51.9 |
0.7 |
0.109 |
0 |
0 |
0 |
0.000 |
43 |
78 |
|
[AAL]D:1002 |
5 |
1 |
262 |
cf |
[GAL]D:1001 |
x,y,z |
1_555 |
5 |
1 |
305 |
52.3 |
1.7 |
0.223 |
0 |
0 |
0 |
0.000 |
44 |
79 |
|
[EDO]B:1145 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
6288 |
52.2 |
1.6 |
0.732 |
0 |
0 |
0 |
0.000 |
45 |
80 |
|
[EDO]C:1141 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
6333 |
51.8 |
1.0 |
0.654 |
1 |
0 |
0 |
0.000 |
46 |
81 |
|
[GAL]D:1001 |
7 |
1 |
305 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
6288 |
50.7 |
0.4 |
0.209 |
0 |
0 |
0 |
0.000 |
47 |
82 |
|
[GAL]C:1001 |
5 |
1 |
305 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
6333 |
50.4 |
0.5 |
0.238 |
0 |
0 |
0 |
0.000 |
48 |
83 |
|
[AAL]C:1006 |
6 |
1 |
263 |
cf |
[GAL]C:1005 |
x,y,z |
1_555 |
5 |
1 |
291 |
48.4 |
1.3 |
0.149 |
0 |
0 |
0 |
0.000 |
84 |
|
[AAL]D:1006 |
6 |
1 |
263 |
cf |
[GAL]D:1005 |
x,y,z |
1_555 |
6 |
1 |
292 |
48.2 |
1.2 |
0.156 |
0 |
0 |
0 |
0.000 |
85 |
|
[AAL]B:1006 |
6 |
1 |
264 |
cf |
[GAL]B:1005 |
x,y,z |
1_555 |
5 |
1 |
293 |
47.9 |
1.1 |
0.150 |
0 |
0 |
0 |
0.000 |
86 |
|
[AAL]A:1006 |
6 |
1 |
262 |
cf |
[GAL]A:1005 |
x,y,z |
1_555 |
5 |
1 |
292 |
47.6 |
1.2 |
0.156 |
0 |
0 |
0 |
0.000 |
Average: |
48.0 |
1.2 |
0.153 |
0 |
0 |
0 |
0.000 |
49 |
87 |
|
[CL]C:1144 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
6321 |
48.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.017 |
50 |
88 |
|
[EDO]D:1143 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6288 |
45.6 |
1.0 |
0.607 |
0 |
0 |
0 |
0.000 |
51 |
89 |
|
[CA]A:1140 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6333 |
43.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.041 |
90 |
|
[CA]D:1140 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
6288 |
43.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.041 |
91 |
|
[CA]C:1140 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
6321 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.041 |
92 |
|
[CA]B:1140 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
6364 |
43.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
43.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.041 |
52 |
93 |
|
[AAL]D:1006 |
5 |
1 |
263 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
6288 |
43.6 |
0.5 |
0.343 |
2 |
0 |
0 |
0.000 |
94 |
|
[AAL]C:1006 |
5 |
1 |
263 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
4 |
6333 |
42.1 |
0.4 |
0.332 |
2 |
0 |
0 |
0.000 |
95 |
|
[AAL]A:1006 |
5 |
1 |
262 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
5 |
6321 |
37.1 |
0.4 |
0.318 |
1 |
0 |
0 |
0.000 |
Average: |
40.9 |
0.5 |
0.331 |
2 |
0 |
0 |
0.000 |
53 |
96 |
|
B |
10 |
5 |
6364 |
◊ |
[AAL]B:1006 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
264 |
43.3 |
0.6 |
0.346 |
2 |
0 |
0 |
0.000 |
54 |
97 |
|
[CA]D:1139 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
6288 |
43.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.040 |
98 |
|
[CA]C:1139 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
6321 |
43.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.040 |
99 |
|
[CA]A:1139 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
6333 |
42.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.040 |
100 |
|
[CA]B:1139 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
6364 |
42.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
42.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.040 |
55 |
101 |
|
[CL]A:1142 |
1 |
1 |
125 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
3 |
6333 |
41.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.014 |
56 |
102 |
|
[CL]A:1142 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6333 |
39.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
103 |
|
[GAL]A:1001 |
5 |
1 |
309 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
4 |
6288 |
38.7 |
0.5 |
0.290 |
1 |
0 |
0 |
0.000 |
58 |
104 |
|
C |
3 |
1 |
6321 |
◊ |
[CL]D:1142 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
36.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
105 |
|
[CL]A:1141 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6364 |
34.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
106 |
|
[CL]C:1142 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6333 |
36.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
107 |
|
B |
3 |
1 |
6364 |
f |
[EDO]C:1146 |
x,y-1,z |
1_545 |
2 |
1 |
183 |
30.4 |
0.3 |
0.620 |
1 |
0 |
0 |
0.000 |
61 |
108 |
|
B |
5 |
3 |
6364 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
6333 |
30.0 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
62 |
109 |
|
[CL]C:1144 |
1 |
1 |
125 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
4 |
2 |
6288 |
29.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
110 |
|
[CL]A:1142 |
1 |
1 |
125 |
◊ |
[GAL]C:1001 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
305 |
28.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
111 |
|
[EDO]D:1143 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
6333 |
25.6 |
0.8 |
0.916 |
0 |
0 |
0 |
0.000 |
65 |
112 |
|
[EDO]C:1141 |
2 |
1 |
186 |
f |
[CL]C:1142 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.003 |
66 |
113 |
|
[CL]B:1144 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
6333 |
15.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
114 |
|
[AAL]A:1004 |
2 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
6333 |
11.3 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
115 |
|
[AAL]B:1004 |
2 |
1 |
262 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
6288 |
7.6 |
0.0 |
0.404 |
0 |
0 |
0 |
0.000 |
116 |
|
[AAL]D:1004 |
2 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
6364 |
6.5 |
0.0 |
0.396 |
0 |
0 |
0 |
0.000 |
Average: |
8.5 |
0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
68 |
117 |
|
[EDO]C:1146 |
1 |
1 |
183 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
6288 |
10.3 |
0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
69 |
118 |
|
A |
3 |
3 |
6333 |
◊ |
[GAL]B:1001 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
303 |
9.9 |
0.2 |
0.394 |
0 |
0 |
0 |
0.000 |
70 |
119 |
|
[CL]B:1143 |
1 |
1 |
125 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
4 |
6288 |
9.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
120 |
|
[AAL]C:1004 |
2 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
6321 |
7.9 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
72 |
121 |
|
C |
1 |
1 |
6321 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
6364 |
4.2 |
0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
73 |
122 |
|
[CL]B:1144 |
1 |
1 |
125 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
6321 |
3.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
123 |
|
[AAL]B:1006 |
1 |
1 |
264 |
f |
[AAL]B:1004 |
x,y,z |
1_555 |
1 |
1 |
262 |
0.5 |
0.0 |
0.200 |
0 |
0 |
0 |
0.000 |
|