| ## |
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 |
178 |
48 |
19896 |
◊ |
A |
x,y,z |
1_555 |
191 |
51 |
20333 |
1722.5 |
-16.7 |
0.117 |
9 |
2 |
0 |
0.214 |
| 2 |
2 |
|
A |
43 |
14 |
20333 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
54 |
19 |
20333 |
444.1 |
-1.5 |
0.443 |
5 |
4 |
0 |
0.000 |
| 3 |
3 |
|
A |
29 |
10 |
20333 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
29 |
12 |
19896 |
299.4 |
0.5 |
0.605 |
5 |
2 |
0 |
0.000 |
| 4 |
4 |
|
B |
32 |
10 |
19896 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
12 |
19896 |
241.7 |
0.4 |
0.654 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
29 |
9 |
20333 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
34 |
11 |
19896 |
240.9 |
-0.6 |
0.538 |
2 |
3 |
0 |
0.000 |
| 6 |
6 |
|
A |
24 |
10 |
20333 |
◊ |
[EPE]A:418 |
x-1/2,-y+1/2,-z |
4_455 |
14 |
1 |
409 |
171.4 |
6.3 |
0.116 |
1 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[NAG]A:401 |
12 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
23 |
8 |
20333 |
162.3 |
3.8 |
0.432 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NAG]B:401 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
22 |
9 |
19896 |
158.3 |
3.8 |
0.408 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
18 |
6 |
20333 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
10 |
19896 |
148.2 |
-1.3 |
0.399 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[EPE]A:417 |
13 |
1 |
410 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
18 |
7 |
20333 |
143.7 |
3.7 |
0.036 |
2 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[GOL]B:409 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
19896 |
142.8 |
-1.1 |
0.462 |
9 |
0 |
0 |
0.052 |
| 12 |
12 |
|
[GOL]A:410 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
20333 |
141.1 |
-1.0 |
0.498 |
4 |
0 |
0 |
0.028 |
| 13 |
13 |
|
[GOL]A:409 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
20333 |
129.8 |
-1.2 |
0.401 |
8 |
0 |
0 |
0.049 |
| 14 |
14 |
|
A |
24 |
10 |
20333 |
◊ |
[MAN]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
9 |
1 |
285 |
127.5 |
2.7 |
0.479 |
2 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[NAG]B:404 |
10 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
14 |
8 |
19896 |
112.6 |
2.8 |
0.374 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:406 |
10 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
20333 |
108.8 |
2.5 |
0.342 |
1 |
0 |
0 |
0.000 |
| Average: |
110.7 |
2.6 |
0.358 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EPE]A:417 |
10 |
1 |
410 |
◊ |
[EPE]A:418 |
x-1/2,-y+1/2,-z |
4_455 |
13 |
1 |
409 |
110.4 |
5.5 |
0.001 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EPE]A:417 |
9 |
1 |
410 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20333 |
108.5 |
2.3 |
0.088 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
A |
15 |
5 |
20333 |
◊ |
[MAN]A:404 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
292 |
103.6 |
2.0 |
0.332 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
B |
9 |
2 |
19896 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
11 |
3 |
19896 |
97.5 |
0.4 |
0.675 |
0 |
1 |
0 |
0.000 |
| 20 |
21 |
|
[MAN]B:408 |
7 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
20333 |
96.0 |
0.9 |
0.263 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[MAN]B:407 |
9 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
20333 |
89.0 |
0.6 |
0.188 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
A |
9 |
2 |
20333 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
11 |
3 |
20333 |
88.8 |
0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[GOL]A:419 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
20333 |
88.4 |
-1.1 |
0.447 |
0 |
0 |
0 |
0.011 |
| 24 |
25 |
|
[NAG]B:402 |
6 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
19896 |
84.5 |
1.8 |
0.392 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
B |
7 |
4 |
19896 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
5 |
20333 |
78.0 |
1.5 |
0.843 |
3 |
2 |
0 |
0.000 |
| 26 |
27 |
|
[BMA]B:406 |
8 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
20333 |
76.9 |
0.2 |
0.155 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[NAG]B:402 |
9 |
1 |
365 |
cf |
[NAG]B:401 |
x,y,z |
1_555 |
6 |
1 |
360 |
75.4 |
1.8 |
0.108 |
1 |
0 |
0 |
0.000 |
29 |
|
[NAG]A:402 |
9 |
1 |
361 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
7 |
1 |
355 |
70.8 |
1.4 |
0.082 |
0 |
0 |
0 |
0.000 |
| Average: |
73.1 |
1.6 |
0.095 |
1 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[NAG]B:405 |
10 |
1 |
362 |
cf |
[NAG]B:404 |
x,y,z |
1_555 |
6 |
1 |
358 |
74.2 |
2.0 |
0.098 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[NAG]A:407 |
8 |
1 |
363 |
cf |
[NAG]A:406 |
x,y,z |
1_555 |
8 |
1 |
358 |
72.6 |
1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[MAN]B:408 |
6 |
1 |
293 |
cf |
[BMA]B:406 |
x,y,z |
1_555 |
6 |
1 |
290 |
60.9 |
2.7 |
0.218 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[BMA]A:403 |
5 |
1 |
289 |
cf |
[NAG]A:402 |
x,y,z |
1_555 |
7 |
1 |
361 |
60.4 |
1.6 |
0.139 |
1 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[NAG]B:405 |
4 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19896 |
60.4 |
1.7 |
0.505 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[MAN]A:404 |
6 |
1 |
292 |
cf |
[BMA]A:403 |
x,y,z |
1_555 |
7 |
1 |
289 |
59.8 |
2.9 |
0.200 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[BMA]A:408 |
6 |
1 |
293 |
cf |
[NAG]A:407 |
x,y,z |
1_555 |
4 |
1 |
363 |
59.0 |
1.5 |
0.165 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[BMA]B:406 |
5 |
1 |
290 |
cf |
[NAG]B:405 |
x,y,z |
1_555 |
5 |
1 |
362 |
58.7 |
1.3 |
0.156 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[BMA]B:403 |
7 |
1 |
292 |
cf |
[NAG]B:402 |
x,y,z |
1_555 |
6 |
1 |
365 |
58.5 |
1.1 |
0.093 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
B |
8 |
2 |
19896 |
◊ |
[MAN]A:404 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
292 |
57.8 |
1.4 |
0.435 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[NAG]A:407 |
3 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20333 |
57.3 |
1.4 |
0.494 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
B |
10 |
4 |
19896 |
◊ |
[BMA]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
289 |
55.5 |
0.7 |
0.256 |
1 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[MAN]B:407 |
6 |
1 |
295 |
cf |
[BMA]B:406 |
x,y,z |
1_555 |
4 |
1 |
290 |
55.5 |
2.3 |
0.287 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
A |
6 |
2 |
20333 |
◊ |
[NAG]A:402 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
361 |
55.2 |
1.1 |
0.365 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
A |
6 |
4 |
20333 |
◊ |
[BMA]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
289 |
53.9 |
1.0 |
0.407 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[MAN]A:405 |
5 |
1 |
285 |
cf |
[BMA]A:403 |
x,y,z |
1_555 |
3 |
1 |
289 |
51.1 |
2.0 |
0.332 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[SO4]B:414 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
19896 |
48.0 |
0.9 |
0.733 |
0 |
0 |
0 |
0.028 |
47 |
|
[SO4]B:415 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
19896 |
30.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
39.1 |
-1.4 |
0.367 |
0 |
0 |
0 |
0.028 |
| 45 |
48 |
|
[SO4]B:418 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19896 |
47.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.083 |
| 46 |
49 |
|
[BMA]A:408 |
4 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
19896 |
45.2 |
0.0 |
0.242 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[SO4]B:416 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19896 |
44.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.073 |
| 48 |
51 |
|
[NAG]B:404 |
4 |
1 |
358 |
◊ |
[NAG]A:401 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
355 |
43.4 |
2.2 |
0.310 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[SO4]A:412 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20333 |
42.7 |
1.6 |
0.924 |
0 |
0 |
0 |
0.126 |
53 |
|
[SO4]A:414 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20333 |
38.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.126 |
54 |
|
[SO4]A:416 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
20333 |
38.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.126 |
| Average: |
39.9 |
-4.1 |
0.308 |
0 |
0 |
0 |
0.126 |
| 50 |
55 |
|
[MAN]A:404 |
6 |
1 |
292 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
5 |
1 |
361 |
41.0 |
1.1 |
0.123 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[NAG]A:402 |
4 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
20333 |
37.4 |
0.9 |
0.420 |
0 |
0 |
0 |
0.000 |
| 52 |
57 |
|
[NAG]B:405 |
3 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20333 |
37.1 |
0.9 |
0.400 |
2 |
0 |
0 |
0.000 |
| 53 |
58 |
|
[SO4]B:413 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
19896 |
34.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.049 |
| 54 |
59 |
|
A |
6 |
2 |
20333 |
◊ |
[SO4]A:413 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
99 |
33.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
A |
3 |
2 |
20333 |
◊ |
[SO4]A:412 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
133 |
25.0 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
61 |
|
A |
1 |
1 |
20333 |
◊ |
[SO4]A:414 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
99 |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
21.2 |
-1.7 |
0.261 |
0 |
0 |
0 |
0.000 |
| 55 |
62 |
|
[SO4]B:412 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
19896 |
33.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.090 |
63 |
|
[SO4]A:411 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19896 |
26.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
29.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.090 |
| 56 |
64 |
|
[EPE]A:418 |
4 |
1 |
409 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
20333 |
30.7 |
0.5 |
0.082 |
0 |
0 |
0 |
0.000 |
| 57 |
65 |
|
[SO4]B:410 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
19896 |
29.3 |
0.6 |
0.780 |
0 |
0 |
0 |
0.000 |
| 58 |
66 |
|
[NAG]B:404 |
3 |
1 |
358 |
◊ |
[NAG]A:402 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
361 |
28.2 |
0.8 |
0.231 |
1 |
0 |
0 |
0.000 |
| 59 |
67 |
|
[SO4]A:411 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20333 |
28.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.034 |
68 |
|
[SO4]B:411 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20333 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
14.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.034 |
| 60 |
69 |
|
A |
4 |
4 |
20333 |
f |
[SO4]A:415 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
99 |
27.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.040 |
| 61 |
70 |
|
[SO4]B:413 |
1 |
1 |
99 |
f |
[SO4]B:410 |
x,y,z |
1_555 |
1 |
1 |
133 |
27.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.031 |
| 62 |
71 |
|
B |
3 |
1 |
19896 |
◊ |
[MAN]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
285 |
27.1 |
0.1 |
0.228 |
0 |
0 |
0 |
0.000 |
| 63 |
72 |
|
[SO4]B:411 |
1 |
1 |
99 |
f |
[SO4]B:410 |
x,y,z |
1_555 |
1 |
1 |
133 |
26.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| 64 |
73 |
|
[MAN]B:408 |
3 |
1 |
293 |
f |
[NAG]B:405 |
x,y,z |
1_555 |
3 |
1 |
362 |
26.1 |
1.0 |
0.274 |
0 |
0 |
0 |
0.000 |
| 65 |
74 |
|
B |
4 |
3 |
19896 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
20333 |
25.3 |
0.7 |
0.817 |
0 |
0 |
0 |
0.000 |
| 66 |
75 |
|
[SO4]B:418 |
1 |
1 |
99 |
f |
[SO4]B:414 |
x,y,z |
1_555 |
1 |
1 |
133 |
24.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 67 |
76 |
|
[SO4]B:415 |
1 |
1 |
99 |
f |
[SO4]B:414 |
x,y,z |
1_555 |
1 |
1 |
133 |
24.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.031 |
| 68 |
77 |
|
[SO4]B:416 |
1 |
1 |
99 |
f |
[SO4]B:414 |
x,y,z |
1_555 |
1 |
1 |
133 |
23.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 69 |
78 |
|
[SO4]B:417 |
1 |
1 |
99 |
f |
[SO4]B:414 |
x,y,z |
1_555 |
1 |
1 |
133 |
23.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| 70 |
79 |
|
[SO4]A:413 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
20333 |
22.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 71 |
80 |
|
[SO4]B:412 |
1 |
1 |
99 |
f |
[SO4]B:410 |
x,y,z |
1_555 |
1 |
1 |
133 |
22.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 72 |
81 |
|
[GOL]A:410 |
2 |
1 |
217 |
f |
[GOL]A:409 |
x,y,z |
1_555 |
2 |
1 |
217 |
22.5 |
-0.3 |
0.459 |
0 |
0 |
0 |
0.003 |
| 73 |
82 |
|
[SO4]A:414 |
1 |
1 |
99 |
f |
[SO4]A:412 |
x,y,z |
1_555 |
1 |
1 |
133 |
22.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
| 74 |
83 |
|
[SO4]B:417 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
19896 |
21.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.032 |
| 75 |
84 |
|
[SO4]A:415 |
1 |
1 |
99 |
◊ |
[SO4]A:412 |
x,y,z |
1_555 |
1 |
1 |
133 |
21.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
85 |
|
[SO4]B:410 |
1 |
1 |
133 |
f |
[SO4]A:411 |
x,y,z |
1_555 |
1 |
1 |
99 |
21.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| 77 |
86 |
|
[SO4]B:411 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
19896 |
20.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.026 |
| 78 |
87 |
|
[SO4]A:413 |
1 |
1 |
99 |
f |
[SO4]A:412 |
x,y,z |
1_555 |
1 |
1 |
133 |
18.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 79 |
88 |
|
[SO4]A:416 |
1 |
1 |
99 |
f |
[SO4]A:412 |
x,y,z |
1_555 |
1 |
1 |
133 |
18.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 80 |
89 |
|
[NAG]B:405 |
3 |
1 |
362 |
◊ |
[MAN]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
285 |
17.0 |
0.7 |
0.256 |
0 |
0 |
0 |
0.000 |
| 81 |
90 |
|
[SO4]B:412 |
1 |
1 |
99 |
f |
[SO4]B:411 |
x,y,z |
1_555 |
1 |
1 |
99 |
15.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.038 |
| 82 |
91 |
|
[SO4]B:412 |
1 |
1 |
99 |
f |
[SO4]A:411 |
x,y,z |
1_555 |
1 |
1 |
99 |
15.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.037 |
| 83 |
92 |
|
[NAG]B:405 |
3 |
1 |
362 |
◊ |
[NAG]A:402 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
361 |
15.0 |
1.0 |
0.430 |
0 |
0 |
0 |
0.000 |
| 84 |
93 |
|
[SO4]B:413 |
1 |
1 |
99 |
f |
[SO4]B:412 |
x,y,z |
1_555 |
1 |
1 |
99 |
11.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 85 |
94 |
|
[NAG]B:404 |
1 |
1 |
358 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
20333 |
10.9 |
0.3 |
0.650 |
0 |
0 |
0 |
0.000 |
| 86 |
95 |
|
[SO4]A:415 |
1 |
1 |
99 |
◊ |
[SO4]A:414 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 87 |
96 |
|
[SO4]B:417 |
1 |
1 |
99 |
f |
[SO4]B:416 |
x,y,z |
1_555 |
1 |
1 |
99 |
8.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 88 |
97 |
|
[MAN]A:405 |
2 |
1 |
285 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
2 |
1 |
361 |
8.6 |
0.1 |
0.232 |
0 |
0 |
0 |
0.000 |
| 89 |
98 |
|
[MAN]B:408 |
2 |
1 |
293 |
◊ |
[NAG]A:402 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
361 |
8.4 |
0.4 |
0.249 |
0 |
0 |
0 |
0.000 |
| 90 |
99 |
|
[NAG]A:407 |
1 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19896 |
8.3 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.002 |
| 91 |
100 |
|
[SO4]A:415 |
1 |
1 |
99 |
◊ |
[SO4]A:413 |
x,y,z |
1_555 |
1 |
1 |
99 |
8.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 92 |
101 |
|
[GOL]A:419 |
1 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
19896 |
7.9 |
0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
| 93 |
102 |
|
[BMA]B:406 |
2 |
1 |
290 |
◊ |
[MAN]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
285 |
7.7 |
0.3 |
0.245 |
0 |
0 |
0 |
0.000 |
| 94 |
103 |
|
[SO4]A:414 |
1 |
1 |
99 |
f |
[SO4]A:413 |
x,y,z |
1_555 |
1 |
1 |
99 |
7.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 95 |
104 |
|
[GOL]A:410 |
2 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19896 |
6.8 |
0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
| 96 |
105 |
|
[SO4]B:413 |
1 |
1 |
99 |
f |
[SO4]B:411 |
x,y,z |
1_555 |
1 |
1 |
99 |
6.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 97 |
106 |
|
[MAN]A:404 |
1 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
20333 |
6.6 |
-0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
| 98 |
107 |
|
[SO4]B:416 |
1 |
1 |
99 |
f |
[SO4]B:415 |
x,y,z |
1_555 |
1 |
1 |
99 |
6.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 99 |
108 |
|
[MAN]B:407 |
1 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
19896 |
6.2 |
-0.0 |
0.280 |
0 |
0 |
0 |
0.000 |
| 100 |
109 |
|
[SO4]B:412 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20333 |
6.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
110 |
|
[SO4]B:410 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20333 |
3.5 |
0.1 |
0.857 |
0 |
0 |
0 |
0.004 |
| Average: |
4.8 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.004 |
| 101 |
111 |
|
A |
3 |
1 |
20333 |
◊ |
[SO4]A:416 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
99 |
6.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 102 |
112 |
|
[GOL]A:419 |
2 |
1 |
217 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20333 |
5.6 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
| 103 |
113 |
|
[MAN]B:408 |
4 |
1 |
293 |
◊ |
[MAN]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
285 |
4.6 |
0.1 |
0.166 |
0 |
0 |
0 |
0.000 |
| 104 |
114 |
|
[SO4]B:417 |
1 |
1 |
99 |
f |
[SO4]B:415 |
x,y,z |
1_555 |
1 |
1 |
99 |
3.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 105 |
115 |
|
[SO4]A:416 |
1 |
1 |
99 |
f |
[SO4]A:413 |
x,y,z |
1_555 |
1 |
1 |
99 |
2.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 106 |
116 |
|
[SO4]B:411 |
1 |
1 |
99 |
f |
[SO4]A:411 |
x,y,z |
1_555 |
1 |
1 |
99 |
2.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 107 |
117 |
|
[NAG]B:404 |
1 |
1 |
358 |
◊ |
[BMA]A:403 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
289 |
2.5 |
0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
| 108 |
118 |
|
[SO4]B:418 |
1 |
1 |
99 |
f |
[SO4]B:416 |
x,y,z |
1_555 |
1 |
1 |
99 |
1.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 109 |
119 |
|
[SO4]B:418 |
1 |
1 |
99 |
f |
[SO4]B:415 |
x,y,z |
1_555 |
1 |
1 |
99 |
0.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 110 |
120 |
|
[MAN]B:407 |
1 |
1 |
295 |
f |
[NAG]B:405 |
x,y,z |
1_555 |
1 |
1 |
362 |
0.8 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 111 |
121 |
|
[SO4]B:418 |
1 |
1 |
99 |
f |
[SO4]B:417 |
x,y,z |
1_555 |
1 |
1 |
99 |
0.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 112 |
122 |
|
[SO4]A:415 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20333 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|