| ## |
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 |
|
F |
135 |
36 |
7026 |
◊ |
E |
x,y,z |
1_555 |
136 |
37 |
7109 |
1332.0 |
-26.2 |
0.076 |
14 |
9 |
2 |
0.663 |
| 2 |
2 |
|
B |
119 |
32 |
12691 |
◊ |
A |
x,y,z |
1_555 |
116 |
32 |
11853 |
1116.3 |
-11.6 |
0.199 |
5 |
8 |
0 |
1.000 |
3 |
|
D |
122 |
33 |
12630 |
◊ |
C |
x,y,z |
1_555 |
119 |
31 |
10764 |
1111.4 |
-12.7 |
0.172 |
3 |
7 |
0 |
1.000 |
| Average: |
1113.8 |
-12.2 |
0.186 |
4 |
8 |
0 |
1.000 |
| 3 |
4 |
|
F |
63 |
14 |
7026 |
◊ |
B |
x,y,z |
1_555 |
62 |
13 |
12691 |
541.8 |
-8.8 |
0.236 |
2 |
0 |
0 |
0.154 |
| 4 |
5 |
|
E |
57 |
13 |
7109 |
◊ |
D |
x,y,z |
1_555 |
57 |
13 |
12630 |
498.5 |
-8.8 |
0.162 |
1 |
1 |
0 |
0.246 |
| 5 |
6 |
|
A |
51 |
14 |
11853 |
◊ |
D |
-x+7/2,-y,z-1/2 |
2_854 |
40 |
11 |
12630 |
386.0 |
-0.6 |
0.637 |
2 |
6 |
0 |
0.000 |
| 6 |
7 |
|
A |
37 |
14 |
11853 |
◊ |
C |
x-1,y,z |
1_455 |
51 |
14 |
10764 |
364.2 |
2.3 |
0.849 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
24 |
6 |
12691 |
◊ |
F |
-x+7/2,-y,z-1/2 |
2_854 |
31 |
8 |
7026 |
226.1 |
0.1 |
0.758 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
F |
20 |
6 |
7026 |
◊ |
D |
x,y,z |
1_555 |
22 |
5 |
12630 |
206.9 |
-3.4 |
0.207 |
0 |
0 |
0 |
0.040 |
| 9 |
10 |
|
A |
23 |
7 |
11853 |
◊ |
B |
x-1/2,-y-1/2,-z+2 |
4_447 |
30 |
10 |
12691 |
202.7 |
-1.5 |
0.492 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
E |
20 |
7 |
7109 |
◊ |
B |
x,y,z |
1_555 |
21 |
4 |
12691 |
192.0 |
-3.5 |
0.223 |
1 |
0 |
0 |
0.062 |
| 11 |
12 |
|
A |
23 |
6 |
11853 |
◊ |
C |
-x+7/2,-y,z-1/2 |
2_854 |
22 |
6 |
10764 |
186.7 |
0.3 |
0.679 |
1 |
1 |
0 |
0.000 |
| 12 |
13 |
|
A |
15 |
6 |
11853 |
◊ |
E |
-x+7/2,-y,z-1/2 |
2_854 |
14 |
3 |
7109 |
165.1 |
0.1 |
0.605 |
1 |
2 |
0 |
0.000 |
| 13 |
14 |
|
[NAG]D:501 |
11 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
17 |
6 |
12630 |
148.2 |
3.4 |
0.381 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[NAG]A:501 |
13 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
18 |
7 |
11853 |
147.8 |
3.7 |
0.300 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[MRD]A:510 |
6 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
11853 |
143.3 |
2.3 |
0.449 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[NAG]B:501 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
17 |
6 |
12691 |
142.4 |
3.4 |
0.302 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[NAG]A:505 |
10 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
11853 |
133.2 |
1.7 |
0.241 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[MPD]A:512 |
7 |
1 |
284 |
f |
D |
-x+7/2,-y,z-1/2 |
2_854 |
22 |
7 |
12630 |
129.0 |
-7.3 |
0.747 |
0 |
0 |
0 |
0.553 |
| 19 |
20 |
|
[MPD]C:503 |
6 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
10764 |
126.7 |
-8.3 |
0.686 |
1 |
0 |
0 |
0.661 |
| 20 |
21 |
|
[NAG]D:502 |
11 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
12630 |
126.5 |
2.3 |
0.264 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[MPD]F:201 |
6 |
1 |
272 |
f |
F |
x,y,z |
1_555 |
19 |
7 |
7026 |
123.2 |
-8.7 |
0.619 |
0 |
0 |
0 |
0.137 |
| 22 |
23 |
|
[NAG]D:505 |
9 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
12630 |
122.4 |
0.9 |
0.236 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]B:505 |
10 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12691 |
118.2 |
1.5 |
0.262 |
0 |
0 |
0 |
0.000 |
| Average: |
120.3 |
1.2 |
0.249 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[NAG]C:502 |
10 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
10764 |
121.7 |
1.0 |
0.213 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[CAC]A:511 |
5 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
11853 |
116.7 |
2.3 |
0.228 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[MPD]E:202 |
7 |
1 |
279 |
f |
E |
x,y,z |
1_555 |
20 |
7 |
7109 |
116.6 |
-8.1 |
0.706 |
0 |
0 |
0 |
0.213 |
| 26 |
28 |
|
[NAG]A:502 |
11 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
11853 |
113.8 |
1.9 |
0.240 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[NAG]B:502 |
11 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12691 |
112.7 |
1.7 |
0.260 |
1 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[MPD]E:204 |
6 |
1 |
280 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
7026 |
100.4 |
-6.4 |
0.688 |
0 |
0 |
0 |
0.101 |
| 29 |
31 |
|
[MPD]F:202 |
7 |
1 |
274 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
7026 |
99.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.092 |
| 30 |
32 |
|
[MPD]E:201 |
5 |
1 |
273 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
7109 |
97.3 |
-5.7 |
0.735 |
0 |
0 |
0 |
0.150 |
| 31 |
33 |
|
[MPD]A:509 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
11853 |
96.7 |
-6.2 |
0.572 |
0 |
0 |
0 |
0.099 |
| 32 |
34 |
|
[MPD]D:507 |
6 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
12630 |
96.5 |
-4.9 |
0.823 |
0 |
0 |
0 |
0.371 |
| 33 |
35 |
|
[TRS]D:509 |
7 |
1 |
253 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
12630 |
93.4 |
1.6 |
0.673 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[MPD]E:202 |
5 |
1 |
279 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
7026 |
91.9 |
-5.5 |
0.641 |
0 |
0 |
0 |
0.087 |
| 35 |
37 |
|
[MPD]F:201 |
5 |
1 |
272 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
7109 |
78.3 |
-5.1 |
0.563 |
0 |
0 |
0 |
0.080 |
| 36 |
38 |
|
B |
11 |
6 |
12691 |
x |
B |
x-1/2,-y-1/2,-z+2 |
4_447 |
9 |
3 |
12691 |
78.1 |
-1.3 |
0.309 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[MPD]D:508 |
4 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
12630 |
76.4 |
-4.5 |
0.681 |
0 |
0 |
0 |
0.337 |
| 38 |
40 |
|
[NAG]D:502 |
8 |
1 |
363 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
5 |
1 |
357 |
74.9 |
1.9 |
0.123 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[BMA]D:503 |
7 |
1 |
293 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
12630 |
74.4 |
1.1 |
0.169 |
0 |
0 |
0 |
0.000 |
42 |
|
[BMA]B:503 |
7 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
12691 |
68.7 |
0.8 |
0.182 |
0 |
0 |
0 |
0.000 |
| Average: |
71.5 |
1.0 |
0.176 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[MAN]A:504 |
8 |
1 |
292 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
7 |
1 |
361 |
73.7 |
2.9 |
0.147 |
0 |
0 |
0 |
0.000 |
44 |
|
[MAN]D:504 |
7 |
1 |
290 |
cf |
[NAG]D:505 |
x,y,z |
1_555 |
8 |
1 |
360 |
73.6 |
2.6 |
0.145 |
0 |
0 |
0 |
0.000 |
| Average: |
73.7 |
2.7 |
0.146 |
0 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[NAG]A:502 |
9 |
1 |
362 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
5 |
1 |
360 |
73.6 |
2.2 |
0.136 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]B:502 |
10 |
1 |
364 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
5 |
1 |
362 |
72.3 |
1.9 |
0.110 |
0 |
0 |
0 |
0.000 |
| Average: |
73.0 |
2.0 |
0.123 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[MAN]A:506 |
7 |
1 |
289 |
cf |
[NAG]A:507 |
x,y,z |
1_555 |
10 |
1 |
363 |
73.1 |
3.4 |
0.161 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[MAN]B:504 |
7 |
1 |
290 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
7 |
1 |
361 |
72.9 |
2.5 |
0.171 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[MAN]B:506 |
6 |
1 |
289 |
cf |
[NAG]B:507 |
x,y,z |
1_555 |
9 |
1 |
353 |
71.6 |
2.5 |
0.153 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[MPD]A:512 |
5 |
1 |
284 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12691 |
63.9 |
-3.6 |
0.678 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[CAC]E:203 |
2 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
7109 |
63.3 |
1.9 |
0.541 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[BMA]D:503 |
6 |
1 |
293 |
cf |
[NAG]D:502 |
x,y,z |
1_555 |
6 |
1 |
363 |
63.2 |
1.2 |
0.100 |
0 |
0 |
0 |
0.000 |
53 |
|
[BMA]B:503 |
7 |
1 |
293 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
5 |
1 |
364 |
57.3 |
1.0 |
0.110 |
0 |
0 |
0 |
0.000 |
54 |
|
[BMA]A:503 |
6 |
1 |
293 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
362 |
54.9 |
1.0 |
0.121 |
0 |
0 |
0 |
0.000 |
| Average: |
58.4 |
1.1 |
0.111 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[MAN]C:501 |
7 |
1 |
293 |
cf |
[NAG]C:502 |
x,y,z |
1_555 |
9 |
1 |
363 |
63.1 |
2.1 |
0.105 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
[MPD]E:204 |
5 |
1 |
280 |
◊ |
E |
x,y,z |
1_555 |
10 |
6 |
7109 |
60.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.060 |
| 50 |
57 |
|
A |
7 |
3 |
11853 |
◊ |
[MPD]D:508 |
-x+7/2,-y,z-1/2 |
2_854 |
4 |
1 |
279 |
60.0 |
-1.9 |
0.951 |
0 |
0 |
0 |
0.000 |
| 51 |
58 |
|
[MAN]D:504 |
7 |
1 |
290 |
f |
[NAG]D:502 |
x,y,z |
1_555 |
5 |
1 |
363 |
59.1 |
2.3 |
0.187 |
0 |
0 |
0 |
0.000 |
| 52 |
59 |
|
[BMA]A:503 |
7 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
11853 |
59.0 |
0.7 |
0.170 |
0 |
0 |
0 |
0.000 |
| 53 |
60 |
|
[MAN]B:504 |
5 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
12691 |
58.4 |
1.8 |
0.499 |
0 |
0 |
0 |
0.000 |
| 54 |
61 |
|
A |
8 |
5 |
11853 |
◊ |
[TRS]D:509 |
-x+7/2,-y,z-1/2 |
2_854 |
4 |
1 |
253 |
57.6 |
2.4 |
0.959 |
0 |
0 |
0 |
0.000 |
| 55 |
62 |
|
[MAN]B:506 |
7 |
1 |
289 |
cf |
[BMA]B:503 |
x,y,z |
1_555 |
5 |
1 |
293 |
57.3 |
2.6 |
0.240 |
0 |
0 |
0 |
0.000 |
| 56 |
63 |
|
[FUC]A:508 |
5 |
1 |
279 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
360 |
56.9 |
2.0 |
0.151 |
0 |
0 |
0 |
0.000 |
| 57 |
64 |
|
[FUC]B:508 |
6 |
1 |
280 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
5 |
1 |
362 |
55.6 |
2.0 |
0.178 |
0 |
0 |
0 |
0.000 |
| 58 |
65 |
|
[MPD]E:201 |
5 |
1 |
273 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
12630 |
55.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.094 |
| 59 |
66 |
|
[MAN]D:506 |
4 |
1 |
290 |
cf |
[BMA]D:503 |
x,y,z |
1_555 |
5 |
1 |
293 |
55.0 |
2.6 |
0.324 |
0 |
0 |
0 |
0.000 |
| 60 |
67 |
|
[MAN]A:506 |
6 |
1 |
289 |
cf |
[BMA]A:503 |
x,y,z |
1_555 |
5 |
1 |
293 |
54.3 |
2.5 |
0.276 |
0 |
0 |
0 |
0.000 |
| 61 |
68 |
|
[MAN]D:504 |
5 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
12630 |
53.6 |
1.7 |
0.474 |
0 |
0 |
0 |
0.000 |
| 62 |
69 |
|
[MPD]A:512 |
3 |
1 |
284 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
11853 |
53.0 |
-2.6 |
0.870 |
0 |
0 |
0 |
0.000 |
| 63 |
70 |
|
[MAN]D:504 |
6 |
1 |
290 |
cf |
[BMA]D:503 |
x,y,z |
1_555 |
3 |
1 |
293 |
52.9 |
2.1 |
0.257 |
0 |
0 |
0 |
0.000 |
| 64 |
71 |
|
[MAN]A:504 |
6 |
1 |
292 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
6 |
1 |
362 |
52.8 |
1.9 |
0.154 |
0 |
0 |
0 |
0.000 |
| 65 |
72 |
|
[MAN]B:504 |
6 |
1 |
290 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
364 |
52.3 |
1.7 |
0.156 |
0 |
0 |
0 |
0.000 |
| 66 |
73 |
|
[FUC]A:508 |
5 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11853 |
52.2 |
1.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| 67 |
74 |
|
[MAN]A:504 |
5 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
11853 |
51.8 |
1.8 |
0.471 |
0 |
0 |
0 |
0.000 |
| 68 |
75 |
|
[FUC]B:508 |
5 |
1 |
280 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
364 |
51.8 |
2.2 |
0.212 |
0 |
0 |
0 |
0.000 |
| 69 |
76 |
|
[MPD]F:202 |
5 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
12691 |
50.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.051 |
| 70 |
77 |
|
[MAN]B:504 |
6 |
1 |
290 |
cf |
[BMA]B:503 |
x,y,z |
1_555 |
3 |
1 |
293 |
48.7 |
2.1 |
0.263 |
0 |
0 |
0 |
0.000 |
| 71 |
78 |
|
[MAN]A:504 |
6 |
1 |
292 |
cf |
[BMA]A:503 |
x,y,z |
1_555 |
3 |
1 |
293 |
48.7 |
2.2 |
0.289 |
0 |
0 |
0 |
0.000 |
| 72 |
79 |
|
[MPD]A:509 |
4 |
1 |
278 |
f |
[NAG]A:507 |
x,y,z |
1_555 |
7 |
1 |
363 |
48.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 73 |
80 |
|
[MAN]B:506 |
5 |
1 |
289 |
◊ |
[MAN]A:506 |
x,y,z |
1_555 |
5 |
1 |
289 |
45.4 |
-0.4 |
0.054 |
0 |
0 |
0 |
0.006 |
| 74 |
81 |
|
[FUC]A:508 |
4 |
1 |
279 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
362 |
41.1 |
1.7 |
0.240 |
0 |
0 |
0 |
0.000 |
| 75 |
82 |
|
B |
3 |
2 |
12691 |
◊ |
D |
-x+7/2,-y,z-1/2 |
2_854 |
5 |
3 |
12630 |
40.3 |
0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
| 76 |
83 |
|
[MAN]C:501 |
4 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
10764 |
39.8 |
0.7 |
0.330 |
0 |
0 |
0 |
0.000 |
| 77 |
84 |
|
A |
4 |
2 |
11853 |
◊ |
F |
-x+7/2,-y,z-1/2 |
2_854 |
6 |
2 |
7026 |
38.8 |
1.0 |
0.856 |
0 |
0 |
0 |
0.000 |
| 78 |
85 |
|
[MAN]A:506 |
5 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11853 |
33.6 |
-0.1 |
0.105 |
0 |
0 |
0 |
0.001 |
| 79 |
86 |
|
[MPD]A:509 |
4 |
1 |
278 |
f |
[BMA]A:503 |
x,y,z |
1_555 |
4 |
1 |
293 |
33.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 80 |
87 |
|
[TRS]D:509 |
3 |
1 |
253 |
f |
[MPD]D:508 |
x,y,z |
1_555 |
4 |
1 |
279 |
32.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.068 |
| 81 |
88 |
|
[MAN]D:506 |
5 |
1 |
290 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
12630 |
31.4 |
0.4 |
0.190 |
0 |
0 |
0 |
0.000 |
| 82 |
89 |
|
[MAN]B:506 |
5 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12691 |
31.3 |
-0.0 |
0.137 |
0 |
0 |
0 |
0.000 |
| 83 |
90 |
|
[FUC]B:508 |
1 |
1 |
280 |
f |
[MAN]B:504 |
x,y,z |
1_555 |
4 |
1 |
290 |
31.3 |
1.0 |
0.273 |
0 |
0 |
0 |
0.000 |
| 84 |
91 |
|
[NAG]B:507 |
2 |
1 |
353 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
12691 |
30.1 |
0.2 |
0.392 |
0 |
0 |
0 |
0.000 |
| 85 |
92 |
|
[MPD]A:509 |
2 |
1 |
278 |
f |
[MAN]A:506 |
x,y,z |
1_555 |
3 |
1 |
289 |
29.7 |
-0.6 |
0.566 |
0 |
0 |
0 |
0.010 |
| 86 |
93 |
|
[FUC]B:508 |
4 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
12691 |
28.2 |
0.6 |
0.458 |
0 |
0 |
0 |
0.000 |
| 87 |
94 |
|
B |
3 |
1 |
12691 |
◊ |
F |
x-1/2,-y-1/2,-z+2 |
4_447 |
4 |
2 |
7026 |
25.4 |
-0.7 |
0.357 |
0 |
0 |
0 |
0.000 |
| 88 |
95 |
|
[MAN]B:506 |
3 |
1 |
289 |
◊ |
[BMA]A:503 |
x,y,z |
1_555 |
3 |
1 |
293 |
20.4 |
0.2 |
0.144 |
0 |
0 |
0 |
0.000 |
| 89 |
96 |
|
[BMA]A:503 |
2 |
1 |
293 |
f |
[NAG]A:505 |
x,y,z |
1_555 |
4 |
1 |
361 |
19.9 |
1.0 |
0.240 |
0 |
0 |
0 |
0.000 |
97 |
|
[BMA]B:503 |
2 |
1 |
293 |
f |
[NAG]B:505 |
x,y,z |
1_555 |
4 |
1 |
361 |
18.9 |
1.0 |
0.250 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
1.0 |
0.245 |
0 |
0 |
0 |
0.000 |
| 90 |
98 |
|
[BMA]B:503 |
3 |
1 |
293 |
f |
[NAG]B:507 |
x,y,z |
1_555 |
4 |
1 |
353 |
19.5 |
0.7 |
0.227 |
0 |
0 |
0 |
0.000 |
| 91 |
99 |
|
[MPD]C:503 |
2 |
1 |
276 |
f |
[NAG]C:502 |
x,y,z |
1_555 |
1 |
1 |
363 |
19.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 92 |
100 |
|
[BMA]D:503 |
2 |
1 |
293 |
f |
[NAG]D:505 |
x,y,z |
1_555 |
4 |
1 |
360 |
18.9 |
0.9 |
0.250 |
0 |
0 |
0 |
0.000 |
| 93 |
101 |
|
[MAN]A:506 |
4 |
1 |
289 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
2 |
1 |
362 |
18.1 |
0.7 |
0.193 |
0 |
0 |
0 |
0.000 |
| 94 |
102 |
|
[MAN]A:506 |
3 |
1 |
289 |
◊ |
[BMA]B:503 |
x,y,z |
1_555 |
3 |
1 |
293 |
17.2 |
-0.0 |
0.126 |
0 |
0 |
0 |
0.000 |
| 95 |
103 |
|
[FUC]A:508 |
2 |
1 |
279 |
f |
[MAN]A:504 |
x,y,z |
1_555 |
2 |
1 |
292 |
16.3 |
0.2 |
0.192 |
0 |
0 |
0 |
0.000 |
| 96 |
104 |
|
[NAG]A:507 |
3 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
11853 |
14.4 |
0.7 |
0.437 |
0 |
0 |
0 |
0.000 |
| 97 |
105 |
|
[MAN]B:506 |
3 |
1 |
289 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
2 |
1 |
364 |
13.2 |
0.5 |
0.227 |
0 |
0 |
0 |
0.000 |
| 98 |
106 |
|
D |
5 |
1 |
12630 |
◊ |
C |
x-1/2,-y-1/2,-z+3 |
4_448 |
3 |
1 |
10764 |
12.9 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
| 99 |
107 |
|
[BMA]A:503 |
1 |
1 |
293 |
f |
[NAG]A:507 |
x,y,z |
1_555 |
2 |
1 |
363 |
11.0 |
0.5 |
0.211 |
0 |
0 |
0 |
0.000 |
| 100 |
108 |
|
[MPD]A:512 |
1 |
1 |
284 |
◊ |
F |
-x+7/2,-y,z-1/2 |
2_854 |
3 |
1 |
7026 |
10.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 101 |
109 |
|
[MAN]D:506 |
1 |
1 |
290 |
f |
[NAG]D:502 |
x,y,z |
1_555 |
1 |
1 |
363 |
5.6 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|