## |
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 |
76 |
23 |
14891 |
◊ |
A |
x,y,z |
1_555 |
79 |
25 |
14482 |
725.7 |
-6.4 |
0.200 |
1 |
3 |
0 |
0.000 |
2 |
2 |
|
B |
57 |
15 |
14891 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
67 |
18 |
14482 |
536.2 |
2.7 |
0.834 |
4 |
5 |
0 |
0.000 |
3 |
3 |
|
A |
37 |
12 |
14482 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
43 |
15 |
14482 |
350.8 |
1.0 |
0.720 |
1 |
3 |
0 |
0.000 |
4 |
4 |
|
A |
33 |
11 |
14482 |
x |
A |
x-1,y,z |
1_455 |
34 |
10 |
14482 |
315.9 |
0.5 |
0.680 |
0 |
5 |
0 |
0.000 |
5 |
5 |
|
B |
26 |
10 |
14891 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
10 |
14482 |
266.4 |
-4.8 |
0.090 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[M55]A:503 |
20 |
1 |
452 |
◊ |
A |
x,y,z |
1_555 |
28 |
12 |
14482 |
216.9 |
0.4 |
0.524 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[GCU]B:501 |
13 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
31 |
15 |
14891 |
189.4 |
2.2 |
0.492 |
6 |
0 |
0 |
0.000 |
8 |
|
[GCU]A:501 |
13 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
30 |
14 |
14482 |
188.6 |
2.3 |
0.583 |
4 |
0 |
0 |
0.000 |
Average: |
189.0 |
2.2 |
0.538 |
5 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
20 |
5 |
14482 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
18 |
7 |
14891 |
180.5 |
-1.5 |
0.302 |
0 |
1 |
0 |
0.000 |
9 |
10 |
|
[PGE]B:519 |
10 |
1 |
327 |
◊ |
B |
x,y,z |
1_555 |
27 |
12 |
14891 |
179.9 |
3.5 |
0.228 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[PGE]A:530 |
10 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
14482 |
167.7 |
3.7 |
0.230 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[PEG]B:518 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
27 |
13 |
14891 |
146.4 |
3.2 |
0.374 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[PG4]A:504 |
12 |
1 |
411 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
14891 |
135.4 |
1.5 |
0.200 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[PG4]A:504 |
11 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
14482 |
134.3 |
3.8 |
0.338 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[PEG]B:517 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14891 |
133.1 |
2.0 |
0.228 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[PGE]A:531 |
8 |
1 |
329 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
14482 |
124.2 |
3.3 |
0.264 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[TMO]B:523 |
4 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
14891 |
123.3 |
-1.9 |
0.683 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[PEG]A:524 |
7 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
14482 |
122.2 |
2.8 |
0.342 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[TMO]A:534 |
4 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
14482 |
120.7 |
-2.1 |
0.618 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
B |
11 |
5 |
14891 |
◊ |
[PGE]A:528 |
-x-1,y-1/2,-z-1/2 |
3_444 |
9 |
1 |
299 |
119.2 |
2.9 |
0.203 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:505 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
14482 |
117.7 |
3.8 |
0.620 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[PEG]A:527 |
7 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
14482 |
114.2 |
2.6 |
0.297 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:503 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
14891 |
112.4 |
3.2 |
0.585 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[PEG]A:525 |
7 |
1 |
245 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
14482 |
111.7 |
2.8 |
0.392 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
B |
11 |
4 |
14891 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
2 |
14482 |
108.7 |
2.0 |
0.818 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
[DMS]B:524 |
4 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
14891 |
106.9 |
2.5 |
0.492 |
1 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14482 |
105.4 |
2.5 |
0.431 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]A:517 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
14482 |
105.3 |
3.1 |
0.427 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[PGE]A:528 |
8 |
1 |
299 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
14482 |
105.0 |
2.7 |
0.230 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
A |
13 |
6 |
14482 |
◊ |
[PGE]A:529 |
x-1,y,z |
1_455 |
9 |
1 |
326 |
103.8 |
1.1 |
0.094 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]B:504 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
14891 |
103.1 |
3.9 |
0.510 |
2 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]B:511 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
14891 |
102.4 |
2.5 |
0.272 |
2 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]B:507 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14891 |
101.4 |
3.9 |
0.503 |
1 |
0 |
0 |
0.000 |
33 |
34 |
|
[M55]A:503 |
10 |
1 |
452 |
f |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
10 |
3 |
14891 |
101.0 |
0.1 |
0.523 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[TMO]B:520 |
4 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
14891 |
100.2 |
-1.8 |
0.683 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[EDO]A:510 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
14482 |
100.1 |
3.4 |
0.515 |
1 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:509 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14482 |
99.5 |
2.7 |
0.460 |
1 |
0 |
0 |
0.000 |
37 |
38 |
|
[TMO]A:535 |
4 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
14482 |
97.7 |
-2.1 |
0.543 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[EDO]B:514 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
14891 |
95.5 |
3.0 |
0.462 |
2 |
0 |
0 |
0.000 |
39 |
40 |
|
[EDO]A:511 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
14482 |
94.2 |
1.6 |
0.205 |
1 |
0 |
0 |
0.000 |
40 |
41 |
|
[EDO]A:515 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14482 |
91.8 |
2.7 |
0.480 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[EDO]A:507 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14482 |
91.4 |
1.6 |
0.195 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[TMO]B:521 |
4 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14891 |
91.4 |
-0.8 |
0.782 |
1 |
0 |
0 |
0.000 |
43 |
44 |
|
[EDO]B:508 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14891 |
91.3 |
3.1 |
0.320 |
3 |
0 |
0 |
0.000 |
44 |
45 |
|
[EDO]B:512 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14891 |
90.1 |
2.4 |
0.264 |
1 |
0 |
0 |
0.000 |
45 |
46 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
14482 |
90.1 |
2.5 |
0.438 |
1 |
0 |
0 |
0.000 |
46 |
47 |
|
[EDO]B:510 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14891 |
87.9 |
2.2 |
0.250 |
1 |
0 |
0 |
0.000 |
47 |
48 |
|
[DMS]B:525 |
3 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14891 |
86.0 |
2.8 |
0.433 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
B |
18 |
7 |
14891 |
◊ |
[DMS]A:536 |
x-1,y,z |
1_455 |
4 |
1 |
209 |
85.9 |
1.9 |
0.443 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[DMS]B:526 |
3 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14891 |
84.7 |
1.0 |
0.332 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
[EDO]B:506 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
14891 |
84.3 |
3.0 |
0.561 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[EDO]A:521 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
14482 |
83.5 |
1.7 |
0.220 |
1 |
0 |
0 |
0.000 |
52 |
53 |
|
[EDO]A:520 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
14482 |
83.2 |
1.8 |
0.235 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[EDO]B:515 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
14891 |
82.8 |
2.5 |
0.280 |
1 |
0 |
0 |
0.000 |
54 |
55 |
|
B |
16 |
5 |
14891 |
◊ |
[DMS]A:537 |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
1 |
210 |
82.2 |
1.2 |
0.366 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[EDO]A:512 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
14482 |
79.8 |
2.7 |
0.920 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[EDO]A:513 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
14482 |
78.9 |
1.9 |
0.838 |
2 |
0 |
0 |
0.000 |
57 |
58 |
|
[TMO]A:533 |
3 |
1 |
222 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
6 |
14482 |
76.9 |
-1.8 |
0.598 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
A |
11 |
3 |
14482 |
f |
[PEG]A:526 |
x-1,y,z |
1_455 |
7 |
1 |
258 |
76.8 |
3.4 |
0.329 |
0 |
0 |
0 |
0.000 |
59 |
60 |
|
[TMO]B:522 |
4 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14891 |
76.7 |
-0.7 |
0.742 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
[TMO]B:520 |
4 |
1 |
221 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
8 |
7 |
14482 |
76.1 |
-1.2 |
0.771 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[EDO]B:502 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14891 |
75.2 |
1.5 |
0.645 |
0 |
0 |
0 |
0.000 |
62 |
63 |
|
[PGE]A:529 |
8 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14482 |
75.0 |
2.9 |
0.201 |
0 |
0 |
0 |
0.000 |
63 |
64 |
|
[PGE]A:531 |
5 |
1 |
329 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
14482 |
74.2 |
1.9 |
0.226 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[EDO]A:519 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14482 |
73.6 |
2.1 |
0.308 |
1 |
0 |
0 |
0.000 |
65 |
66 |
|
[EDO]B:509 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
14891 |
73.5 |
1.8 |
0.823 |
3 |
0 |
0 |
0.000 |
66 |
67 |
|
[EDO]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14891 |
71.3 |
2.0 |
0.837 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[EDO]B:516 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
14891 |
70.9 |
2.1 |
0.233 |
0 |
0 |
0 |
0.000 |
68 |
69 |
|
[EDO]A:514 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
14482 |
68.5 |
1.4 |
0.769 |
0 |
0 |
0 |
0.000 |
69 |
70 |
|
B |
11 |
5 |
14891 |
◊ |
[PGE]A:529 |
x-1,y,z |
1_455 |
5 |
1 |
326 |
68.4 |
1.6 |
0.259 |
0 |
0 |
0 |
0.000 |
70 |
71 |
|
[DMS]A:536 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14482 |
65.8 |
-0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
71 |
72 |
|
[MG]A:532 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
14482 |
64.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
73 |
|
[PEG]A:526 |
4 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
14482 |
64.2 |
-0.0 |
0.199 |
0 |
0 |
0 |
0.000 |
73 |
74 |
|
[PEG]A:527 |
4 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14891 |
63.9 |
0.6 |
0.259 |
1 |
0 |
0 |
0.000 |
74 |
75 |
|
[EDO]A:508 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
14482 |
62.4 |
1.2 |
0.661 |
0 |
0 |
0 |
0.000 |
75 |
76 |
|
[EDO]A:518 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14482 |
57.6 |
1.0 |
0.610 |
0 |
0 |
0 |
0.000 |
76 |
77 |
|
[TMO]A:533 |
3 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14482 |
55.5 |
-0.0 |
0.870 |
1 |
0 |
0 |
0.000 |
77 |
78 |
|
A |
10 |
1 |
14482 |
f |
[TMO]B:521 |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
221 |
54.6 |
-1.6 |
0.522 |
0 |
0 |
0 |
0.000 |
78 |
79 |
|
B |
9 |
3 |
14891 |
x |
B |
x-1,y,z |
1_455 |
10 |
4 |
14891 |
54.1 |
0.5 |
0.691 |
0 |
1 |
0 |
0.000 |
79 |
80 |
|
[EDO]B:513 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14891 |
51.2 |
1.1 |
0.710 |
0 |
0 |
0 |
0.000 |
80 |
81 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14482 |
47.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
14891 |
44.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
46.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
83 |
|
[TMO]A:534 |
2 |
1 |
222 |
f |
[PGE]A:530 |
x,y,z |
1_555 |
4 |
1 |
336 |
46.0 |
0.5 |
0.385 |
0 |
0 |
0 |
0.000 |
82 |
84 |
|
[EDO]A:522 |
3 |
1 |
183 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
14482 |
45.6 |
1.0 |
0.738 |
1 |
0 |
0 |
0.000 |
83 |
85 |
|
[EDO]A:523 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14482 |
45.4 |
0.7 |
0.704 |
0 |
0 |
0 |
0.000 |
84 |
86 |
|
[EDO]A:519 |
4 |
1 |
182 |
◊ |
[M55]A:503 |
x,y,z |
1_555 |
7 |
1 |
452 |
45.1 |
1.2 |
0.841 |
0 |
0 |
0 |
0.000 |
85 |
87 |
|
A |
5 |
2 |
14482 |
◊ |
[EDO]A:521 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
45.0 |
1.0 |
0.627 |
0 |
0 |
0 |
0.000 |
86 |
88 |
|
[EDO]A:522 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14482 |
44.5 |
0.3 |
0.423 |
0 |
0 |
0 |
0.000 |
87 |
89 |
|
[EDO]B:516 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14482 |
44.3 |
0.5 |
0.497 |
0 |
0 |
0 |
0.000 |
88 |
90 |
|
[EDO]A:513 |
4 |
1 |
183 |
f |
[EDO]A:512 |
x,y,z |
1_555 |
3 |
1 |
185 |
42.9 |
2.1 |
1.000 |
0 |
0 |
0 |
0.000 |
89 |
91 |
|
[TMO]A:533 |
3 |
1 |
222 |
◊ |
[PEG]A:526 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
258 |
39.4 |
0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
90 |
92 |
|
B |
4 |
2 |
14891 |
◊ |
[EDO]A:507 |
x-1,y,z |
1_455 |
3 |
1 |
182 |
36.2 |
1.0 |
0.694 |
0 |
0 |
0 |
0.000 |
91 |
93 |
|
[DMS]A:537 |
3 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14482 |
35.8 |
1.0 |
0.433 |
0 |
0 |
0 |
0.000 |
92 |
94 |
|
[EDO]A:519 |
2 |
1 |
182 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
7 |
4 |
14891 |
34.1 |
0.4 |
0.396 |
0 |
0 |
0 |
0.000 |
93 |
95 |
|
B |
4 |
1 |
14891 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
1 |
14891 |
34.0 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
94 |
96 |
|
B |
7 |
3 |
14891 |
◊ |
[EDO]A:523 |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
1 |
184 |
32.8 |
0.7 |
0.619 |
0 |
0 |
0 |
0.000 |
95 |
97 |
|
[PEG]B:517 |
2 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
14482 |
32.7 |
0.0 |
0.274 |
0 |
0 |
0 |
0.000 |
96 |
98 |
|
[EDO]A:522 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
14891 |
30.7 |
0.2 |
0.371 |
0 |
0 |
0 |
0.000 |
97 |
99 |
|
[EDO]B:516 |
4 |
1 |
183 |
f |
[EDO]A:508 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.9 |
1.0 |
1.000 |
2 |
0 |
0 |
0.000 |
98 |
100 |
|
[EDO]A:522 |
3 |
1 |
183 |
◊ |
[PGE]A:529 |
x-1,y,z |
1_455 |
3 |
1 |
326 |
29.6 |
1.5 |
0.355 |
0 |
0 |
0 |
0.000 |
99 |
101 |
|
[EDO]A:508 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
14891 |
28.0 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
100 |
102 |
|
B |
2 |
1 |
14891 |
f |
[EDO]A:511 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
26.5 |
0.3 |
0.422 |
0 |
0 |
0 |
0.000 |
101 |
103 |
|
[TMO]A:533 |
1 |
1 |
222 |
◊ |
[EDO]A:521 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
185 |
26.2 |
0.0 |
0.866 |
0 |
0 |
0 |
0.000 |
102 |
104 |
|
[EDO]A:522 |
2 |
1 |
183 |
◊ |
[DMS]A:536 |
x-1,y,z |
1_455 |
2 |
1 |
209 |
26.1 |
1.7 |
0.612 |
0 |
0 |
0 |
0.000 |
103 |
105 |
|
A |
1 |
1 |
14482 |
f |
[EDO]A:510 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
25.5 |
1.2 |
0.981 |
0 |
0 |
0 |
0.000 |
104 |
106 |
|
[EDO]A:518 |
2 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
14482 |
25.1 |
0.3 |
0.759 |
0 |
0 |
0 |
0.000 |
105 |
107 |
|
[PGE]A:531 |
3 |
1 |
329 |
f |
[EDO]A:518 |
x,y,z |
1_555 |
3 |
1 |
185 |
24.7 |
1.2 |
0.315 |
0 |
0 |
0 |
0.000 |
106 |
108 |
|
[GCU]A:501 |
3 |
1 |
304 |
◊ |
[TMO]B:521 |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
221 |
24.4 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
107 |
109 |
|
[PGE]B:519 |
2 |
1 |
327 |
f |
[GCU]B:501 |
x,y,z |
1_555 |
2 |
1 |
302 |
24.3 |
1.1 |
0.332 |
0 |
0 |
0 |
0.000 |
108 |
110 |
|
[EDO]B:514 |
3 |
1 |
184 |
f |
A |
x-1,y,z |
1_455 |
4 |
2 |
14482 |
23.7 |
0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
109 |
111 |
|
[PEG]A:525 |
2 |
1 |
245 |
f |
[EDO]A:513 |
x,y,z |
1_555 |
2 |
1 |
183 |
23.0 |
1.1 |
0.589 |
0 |
0 |
0 |
0.000 |
110 |
112 |
|
[EDO]B:515 |
2 |
1 |
184 |
f |
[EDO]B:506 |
x,y,z |
1_555 |
3 |
1 |
184 |
21.9 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
111 |
113 |
|
A |
5 |
3 |
14482 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
3 |
14891 |
21.1 |
0.3 |
0.676 |
0 |
0 |
0 |
0.000 |
112 |
114 |
|
[DMS]B:524 |
2 |
1 |
210 |
f |
[EDO]B:508 |
x,y,z |
1_555 |
2 |
1 |
183 |
19.6 |
0.8 |
0.661 |
0 |
0 |
0 |
0.000 |
113 |
115 |
|
A |
3 |
2 |
14482 |
f |
[EDO]A:514 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
182 |
18.6 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
114 |
116 |
|
[EDO]B:503 |
3 |
1 |
181 |
f |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
14482 |
18.0 |
1.3 |
0.979 |
0 |
0 |
0 |
0.000 |
115 |
117 |
|
[EDO]B:510 |
1 |
1 |
183 |
f |
[EDO]B:506 |
x,y,z |
1_555 |
2 |
1 |
184 |
17.4 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
116 |
118 |
|
[DMS]A:536 |
1 |
1 |
209 |
f |
[PGE]A:529 |
x,y,z |
1_555 |
2 |
1 |
326 |
15.8 |
1.0 |
0.339 |
0 |
0 |
0 |
0.000 |
117 |
119 |
|
[EDO]A:519 |
1 |
1 |
182 |
f |
[GCU]A:501 |
x,y,z |
1_555 |
2 |
1 |
304 |
15.2 |
0.6 |
0.445 |
0 |
0 |
0 |
0.000 |
118 |
120 |
|
[TMO]B:522 |
2 |
1 |
222 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
2 |
14482 |
14.9 |
-0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
119 |
121 |
|
A |
2 |
2 |
14482 |
◊ |
[PEG]A:526 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
258 |
13.4 |
0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
120 |
122 |
|
[DMS]B:525 |
1 |
1 |
209 |
f |
[PEG]A:524 |
x-1,y,z |
1_455 |
2 |
1 |
250 |
12.9 |
0.7 |
0.378 |
0 |
0 |
0 |
0.000 |
121 |
123 |
|
[PGE]A:528 |
1 |
1 |
299 |
f |
[EDO]A:520 |
x,y,z |
1_555 |
2 |
1 |
184 |
12.8 |
0.5 |
0.548 |
0 |
0 |
0 |
0.000 |
122 |
124 |
|
[DMS]A:537 |
2 |
1 |
210 |
f |
[EDO]A:520 |
x,y,z |
1_555 |
2 |
1 |
184 |
12.8 |
0.5 |
0.661 |
0 |
0 |
0 |
0.000 |
123 |
125 |
|
[EDO]B:509 |
1 |
1 |
184 |
f |
[EDO]B:504 |
x,y,z |
1_555 |
1 |
1 |
183 |
11.0 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
124 |
126 |
|
[TMO]A:533 |
1 |
1 |
222 |
◊ |
[EDO]A:514 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
182 |
9.5 |
0.2 |
0.866 |
0 |
0 |
0 |
0.000 |
125 |
127 |
|
B |
1 |
1 |
14891 |
◊ |
[TMO]A:535 |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
222 |
8.9 |
-0.0 |
0.881 |
0 |
0 |
0 |
0.000 |
126 |
128 |
|
[DMS]B:525 |
1 |
1 |
209 |
f |
A |
x-1,y,z |
1_455 |
1 |
1 |
14482 |
6.6 |
0.3 |
0.456 |
0 |
0 |
0 |
0.000 |
127 |
129 |
|
[PGE]A:528 |
3 |
1 |
299 |
f |
[EDO]A:518 |
x,y,z |
1_555 |
2 |
1 |
185 |
6.4 |
0.3 |
0.281 |
0 |
0 |
0 |
0.000 |
128 |
130 |
|
[EDO]A:518 |
2 |
1 |
185 |
f |
[EDO]A:513 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
183 |
4.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
129 |
131 |
|
A |
1 |
1 |
14482 |
f |
[EDO]A:515 |
x-1,y,z |
1_455 |
1 |
1 |
184 |
4.0 |
0.2 |
0.925 |
0 |
0 |
0 |
0.000 |
130 |
132 |
|
[EDO]A:520 |
1 |
1 |
184 |
f |
[EDO]A:518 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
131 |
133 |
|
[EDO]A:507 |
1 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
14891 |
3.7 |
0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
132 |
134 |
|
[EDO]B:514 |
1 |
1 |
184 |
f |
[PEG]A:524 |
x-1,y,z |
1_455 |
1 |
1 |
250 |
3.2 |
-0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
133 |
135 |
|
[PEG]A:526 |
1 |
1 |
258 |
f |
[EDO]A:521 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.2 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
134 |
136 |
|
[PGE]A:531 |
1 |
1 |
329 |
f |
[EDO]A:513 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
183 |
3.1 |
0.2 |
0.548 |
0 |
0 |
0 |
0.000 |
135 |
137 |
|
[EDO]B:504 |
1 |
1 |
183 |
f |
[PG4]A:504 |
x,y,z |
1_555 |
1 |
1 |
411 |
2.3 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
136 |
138 |
|
B |
1 |
1 |
14891 |
f |
[EDO]B:502 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
183 |
2.3 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
137 |
139 |
|
[PG4]A:504 |
2 |
1 |
411 |
f |
[CL]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
138 |
140 |
|
[PGE]B:519 |
1 |
1 |
327 |
f |
[PEG]B:517 |
x,y,z |
1_555 |
1 |
1 |
259 |
0.6 |
0.0 |
0.120 |
0 |
0 |
0 |
0.000 |
|