| ## |
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 |
57 |
9 |
2213 |
◊ |
C |
x,y,z |
1_555 |
64 |
12 |
5095 |
490.5 |
-1.3 |
0.971 |
10 |
0 |
0 |
0.000 |
2 |
|
J |
57 |
9 |
2192 |
◊ |
I |
x,y,z |
1_555 |
64 |
12 |
5095 |
485.8 |
-0.7 |
0.976 |
10 |
0 |
0 |
0.000 |
3 |
|
P |
57 |
9 |
2188 |
◊ |
O |
x,y,z |
1_555 |
61 |
12 |
5105 |
482.5 |
-0.9 |
0.970 |
11 |
0 |
0 |
0.000 |
| Average: |
486.3 |
-0.9 |
0.972 |
10 |
0 |
0 |
0.000 |
| 2 |
4 |
|
B |
47 |
8 |
2304 |
◊ |
A |
x,y,z |
1_555 |
54 |
11 |
5063 |
411.8 |
-5.7 |
0.868 |
10 |
0 |
0 |
0.000 |
5 |
|
N |
49 |
8 |
2306 |
◊ |
M |
x,y,z |
1_555 |
54 |
11 |
5047 |
410.9 |
-5.9 |
0.871 |
9 |
0 |
0 |
0.000 |
6 |
|
G |
46 |
8 |
2296 |
◊ |
F |
x,y,z |
1_555 |
53 |
11 |
5048 |
407.4 |
-5.7 |
0.863 |
10 |
0 |
0 |
0.000 |
| Average: |
410.0 |
-5.7 |
0.867 |
10 |
0 |
0 |
0.000 |
| 3 |
7 |
|
M |
33 |
4 |
5047 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
35 |
7 |
5048 |
252.2 |
-5.3 |
0.795 |
0 |
0 |
0 |
0.000 |
8 |
|
F |
31 |
4 |
5048 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
38 |
6 |
5063 |
249.8 |
-4.3 |
0.852 |
0 |
0 |
0 |
0.000 |
9 |
|
M |
34 |
6 |
5047 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
4 |
5063 |
244.0 |
-4.8 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
248.7 |
-4.8 |
0.822 |
0 |
0 |
0 |
0.000 |
| 4 |
10 |
|
[CBV]C:10 |
21 |
1 |
455 |
cf |
C |
x,y,z |
1_555 |
33 |
5 |
5095 |
243.0 |
1.7 |
0.866 |
3 |
0 |
0 |
0.000 |
11 |
|
[CBV]O:10 |
21 |
1 |
457 |
cf |
O |
x,y,z |
1_555 |
34 |
5 |
5105 |
242.2 |
1.9 |
0.861 |
2 |
0 |
0 |
0.000 |
12 |
|
[CBV]I:10 |
21 |
1 |
455 |
cf |
I |
x,y,z |
1_555 |
31 |
4 |
5095 |
238.4 |
1.8 |
0.861 |
2 |
0 |
0 |
0.000 |
| Average: |
241.2 |
1.8 |
0.863 |
2 |
0 |
0 |
0.000 |
| 5 |
13 |
|
[MTA]F:101 |
20 |
1 |
458 |
◊ |
F |
x,y,z |
1_555 |
44 |
7 |
5048 |
241.6 |
1.1 |
0.575 |
1 |
0 |
0 |
0.000 |
14 |
|
[MTA]A:101 |
20 |
1 |
444 |
◊ |
A |
x,y,z |
1_555 |
40 |
5 |
5063 |
237.4 |
0.5 |
0.532 |
1 |
0 |
0 |
0.000 |
15 |
|
[MTA]M:102 |
20 |
1 |
445 |
◊ |
M |
x,y,z |
1_555 |
40 |
5 |
5047 |
236.4 |
0.7 |
0.545 |
1 |
0 |
0 |
0.000 |
16 |
|
[MTA]C:101 |
20 |
1 |
451 |
◊ |
C |
x,y,z |
1_555 |
40 |
5 |
5095 |
234.1 |
1.6 |
0.585 |
1 |
0 |
0 |
0.000 |
| Average: |
237.4 |
1.0 |
0.559 |
1 |
0 |
0 |
0.000 |
| 6 |
17 |
|
[MTA]O:101 |
20 |
1 |
449 |
◊ |
O |
x,y,z |
1_555 |
44 |
7 |
5105 |
237.5 |
1.4 |
0.578 |
1 |
0 |
0 |
0.000 |
| 7 |
18 |
|
P |
30 |
6 |
2188 |
◊ |
G |
x,y,z |
1_555 |
26 |
3 |
2296 |
237.5 |
-3.1 |
0.782 |
2 |
0 |
0 |
0.000 |
19 |
|
J |
29 |
6 |
2192 |
◊ |
B |
x,y,z |
1_555 |
26 |
3 |
2304 |
236.8 |
-3.0 |
0.784 |
2 |
0 |
0 |
0.000 |
20 |
|
D |
30 |
6 |
2213 |
◊ |
N |
x,y,z |
1_555 |
26 |
3 |
2306 |
236.4 |
-3.0 |
0.787 |
1 |
0 |
0 |
0.000 |
| Average: |
236.9 |
-3.0 |
0.785 |
2 |
0 |
0 |
0.000 |
| 8 |
21 |
|
[CBV]F:10 |
20 |
1 |
454 |
cf |
F |
x,y,z |
1_555 |
32 |
4 |
5048 |
233.7 |
2.0 |
0.865 |
2 |
0 |
0 |
0.000 |
22 |
|
[CBV]M:10 |
21 |
1 |
455 |
cf |
M |
x,y,z |
1_555 |
32 |
4 |
5047 |
233.0 |
1.8 |
0.868 |
2 |
0 |
0 |
0.000 |
23 |
|
[CBV]A:10 |
21 |
1 |
451 |
cf |
A |
x,y,z |
1_555 |
29 |
4 |
5063 |
232.9 |
2.2 |
0.863 |
2 |
0 |
0 |
0.000 |
| Average: |
233.2 |
2.0 |
0.866 |
2 |
0 |
0 |
0.000 |
| 9 |
24 |
|
[MTA]I:101 |
20 |
1 |
441 |
◊ |
I |
x,y,z |
1_555 |
39 |
5 |
5095 |
228.4 |
1.0 |
0.551 |
1 |
0 |
0 |
0.000 |
| 10 |
25 |
|
O |
28 |
5 |
5105 |
◊ |
I |
-x,y,-z |
2_555 |
29 |
5 |
5095 |
204.7 |
-8.8 |
0.605 |
0 |
0 |
0 |
0.116 |
| 11 |
26 |
|
C |
32 |
2 |
5095 |
◊ |
A |
x,y,z |
1_555 |
31 |
2 |
5063 |
195.7 |
6.4 |
0.993 |
0 |
0 |
0 |
0.000 |
27 |
|
I |
32 |
2 |
5095 |
◊ |
F |
x,y,z |
1_555 |
31 |
2 |
5048 |
190.9 |
6.2 |
0.992 |
0 |
0 |
0 |
0.000 |
28 |
|
O |
30 |
2 |
5105 |
◊ |
M |
x,y,z |
1_555 |
31 |
2 |
5047 |
189.4 |
6.5 |
0.993 |
0 |
0 |
0 |
0.000 |
| Average: |
192.0 |
6.4 |
0.993 |
0 |
0 |
0 |
0.000 |
| 12 |
29 |
|
[MTA]M:101 |
15 |
1 |
451 |
◊ |
M |
x,y,z |
1_555 |
21 |
4 |
5047 |
168.5 |
0.9 |
0.684 |
1 |
0 |
0 |
0.000 |
| 13 |
30 |
|
G |
17 |
2 |
2296 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
20 |
5 |
5063 |
161.8 |
-3.7 |
0.655 |
0 |
0 |
0 |
0.000 |
31 |
|
M |
19 |
5 |
5047 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
2 |
2304 |
161.0 |
-3.7 |
0.646 |
0 |
0 |
0 |
0.000 |
32 |
|
N |
18 |
2 |
2306 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
20 |
5 |
5048 |
159.6 |
-3.6 |
0.667 |
0 |
0 |
0 |
0.000 |
| Average: |
160.8 |
-3.7 |
0.656 |
0 |
0 |
0 |
0.000 |
| 14 |
33 |
|
[MTA]B:101 |
14 |
1 |
439 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
5063 |
161.1 |
0.8 |
0.661 |
2 |
0 |
0 |
0.000 |
| 15 |
34 |
|
[MTA]G:101 |
12 |
1 |
443 |
◊ |
F |
x,y,z |
1_555 |
18 |
4 |
5048 |
160.8 |
0.5 |
0.672 |
1 |
0 |
0 |
0.000 |
| 16 |
35 |
|
N |
18 |
3 |
2306 |
◊ |
C |
x,y,z |
1_555 |
19 |
4 |
5095 |
154.6 |
-5.2 |
0.560 |
0 |
0 |
0 |
0.000 |
36 |
|
G |
17 |
3 |
2296 |
◊ |
O |
x,y,z |
1_555 |
19 |
4 |
5105 |
152.6 |
-5.2 |
0.550 |
1 |
0 |
0 |
0.000 |
37 |
|
B |
17 |
3 |
2304 |
◊ |
I |
x,y,z |
1_555 |
19 |
4 |
5095 |
149.7 |
-5.2 |
0.550 |
0 |
0 |
0 |
0.000 |
| Average: |
152.3 |
-5.2 |
0.553 |
0 |
0 |
0 |
0.000 |
| 17 |
38 |
|
[MTA]F:101 |
12 |
1 |
458 |
◊ |
G |
x,y,z |
1_555 |
19 |
3 |
2296 |
142.1 |
0.4 |
0.631 |
1 |
0 |
0 |
0.000 |
| 18 |
39 |
|
[MTA]M:102 |
13 |
1 |
445 |
f |
N |
x,y,z |
1_555 |
19 |
3 |
2306 |
140.9 |
0.0 |
0.602 |
1 |
0 |
0 |
0.100 |
40 |
|
[MTA]A:101 |
13 |
1 |
444 |
f |
B |
x,y,z |
1_555 |
19 |
3 |
2304 |
139.9 |
0.1 |
0.600 |
1 |
0 |
0 |
0.100 |
| Average: |
140.4 |
0.1 |
0.601 |
1 |
0 |
0 |
0.100 |
| 19 |
41 |
|
[MTA]C:101 |
12 |
1 |
451 |
f |
D |
x,y,z |
1_555 |
19 |
4 |
2213 |
136.9 |
0.4 |
0.672 |
0 |
0 |
0 |
0.000 |
42 |
|
[MTA]I:101 |
13 |
1 |
441 |
f |
J |
x,y,z |
1_555 |
20 |
4 |
2192 |
134.7 |
0.5 |
0.673 |
0 |
0 |
0 |
0.000 |
| Average: |
135.8 |
0.4 |
0.672 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
[MTA]O:101 |
13 |
1 |
449 |
f |
P |
x,y,z |
1_555 |
20 |
4 |
2188 |
129.8 |
0.8 |
0.687 |
0 |
0 |
0 |
0.000 |
| 21 |
44 |
|
D |
13 |
3 |
2213 |
◊ |
P |
-x-1/2,y-1/2,-z |
4_445 |
13 |
3 |
2188 |
122.8 |
-5.5 |
0.431 |
0 |
0 |
0 |
0.027 |
45 |
|
J |
13 |
3 |
2192 |
◊ |
J |
-x+1,y,-z |
2_655 |
13 |
3 |
2192 |
121.5 |
-5.5 |
0.434 |
0 |
0 |
0 |
0.027 |
| Average: |
122.1 |
-5.5 |
0.433 |
0 |
0 |
0 |
0.027 |
| 22 |
46 |
|
C |
11 |
3 |
5095 |
◊ |
P |
-x-1/2,y-1/2,-z |
4_445 |
16 |
2 |
2188 |
118.7 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
47 |
|
J |
16 |
2 |
2192 |
◊ |
I |
-x+1,y,-z |
2_655 |
12 |
3 |
5095 |
118.5 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
48 |
|
D |
14 |
2 |
2213 |
◊ |
O |
-x-1/2,y-1/2,-z |
4_445 |
12 |
3 |
5105 |
117.4 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
| Average: |
118.2 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
| 23 |
49 |
|
[MTA]G:101 |
15 |
1 |
443 |
f |
G |
x,y,z |
1_555 |
14 |
1 |
2296 |
102.1 |
-0.3 |
0.529 |
0 |
0 |
0 |
0.100 |
| 24 |
50 |
|
[MTA]B:101 |
15 |
1 |
439 |
◊ |
B |
x,y,z |
1_555 |
14 |
1 |
2304 |
101.6 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 25 |
51 |
|
[MTA]M:101 |
14 |
1 |
451 |
◊ |
N |
x,y,z |
1_555 |
14 |
1 |
2306 |
100.3 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| 26 |
52 |
|
C |
14 |
1 |
5095 |
◊ |
O |
-x-1/2,y-1/2,-z |
4_445 |
14 |
1 |
5105 |
97.6 |
1.9 |
0.915 |
0 |
0 |
0 |
0.000 |
53 |
|
I |
14 |
1 |
5095 |
◊ |
I |
-x+1,y,-z |
2_655 |
14 |
1 |
5095 |
97.1 |
2.0 |
0.920 |
0 |
0 |
0 |
0.000 |
| Average: |
97.3 |
1.9 |
0.917 |
0 |
0 |
0 |
0.000 |
| 27 |
54 |
|
[MTA]B:101 |
9 |
1 |
439 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
5095 |
93.5 |
-0.7 |
0.515 |
0 |
0 |
0 |
0.009 |
| 28 |
55 |
|
M |
12 |
3 |
5047 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
5095 |
89.7 |
-2.1 |
0.672 |
0 |
0 |
0 |
0.000 |
56 |
|
O |
12 |
3 |
5105 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
5048 |
89.0 |
-2.2 |
0.658 |
0 |
0 |
0 |
0.000 |
57 |
|
I |
11 |
3 |
5095 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
5063 |
82.2 |
-1.6 |
0.673 |
0 |
0 |
0 |
0.000 |
| Average: |
87.0 |
-2.0 |
0.667 |
0 |
0 |
0 |
0.000 |
| 29 |
58 |
|
M |
11 |
2 |
5047 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
13 |
3 |
2296 |
89.1 |
-3.1 |
0.568 |
0 |
0 |
0 |
0.000 |
59 |
|
B |
12 |
3 |
2304 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
11 |
2 |
5063 |
88.5 |
-2.9 |
0.572 |
0 |
0 |
0 |
0.000 |
60 |
|
N |
13 |
3 |
2306 |
◊ |
F |
-x-1/2,y-1/2,-z+1 |
4_446 |
11 |
2 |
5048 |
88.3 |
-3.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
88.6 |
-3.0 |
0.570 |
0 |
0 |
0 |
0.000 |
| 30 |
61 |
|
[MTA]G:101 |
9 |
1 |
443 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
5105 |
88.5 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
| 31 |
62 |
|
[MTA]M:101 |
9 |
1 |
451 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
5095 |
84.9 |
-0.4 |
0.532 |
0 |
0 |
0 |
0.000 |
| 32 |
63 |
|
G |
10 |
2 |
2296 |
◊ |
[CBV]A:10 |
x-1/2,y+1/2,z |
3_455 |
10 |
1 |
451 |
78.4 |
-2.3 |
0.479 |
0 |
0 |
0 |
0.000 |
64 |
|
[CBV]M:10 |
10 |
1 |
455 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
2304 |
77.1 |
-2.2 |
0.460 |
0 |
0 |
0 |
0.000 |
65 |
|
N |
9 |
2 |
2306 |
◊ |
[CBV]F:10 |
x-1/2,y-1/2,z |
3_445 |
9 |
1 |
454 |
76.6 |
-2.1 |
0.460 |
0 |
0 |
0 |
0.000 |
| Average: |
77.3 |
-2.2 |
0.466 |
0 |
0 |
0 |
0.000 |
| 33 |
66 |
|
A |
11 |
2 |
5063 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
11 |
2 |
5063 |
72.4 |
-3.2 |
0.559 |
0 |
0 |
0 |
0.000 |
67 |
|
M |
7 |
2 |
5047 |
◊ |
F |
-x-1/2,y-1/2,-z+1 |
4_446 |
7 |
2 |
5048 |
49.0 |
-1.6 |
0.587 |
0 |
0 |
0 |
0.000 |
| Average: |
60.7 |
-2.4 |
0.573 |
0 |
0 |
0 |
0.000 |
| 34 |
68 |
|
[SO4]J:101 |
4 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
7 |
1 |
2192 |
54.6 |
-7.0 |
0.797 |
0 |
0 |
0 |
0.108 |
| 35 |
69 |
|
[SO4]D:101 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
1 |
2213 |
52.1 |
-6.8 |
0.815 |
0 |
0 |
0 |
0.071 |
| 36 |
70 |
|
[NA]F:102 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
5048 |
42.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.132 |
| 37 |
71 |
|
[MTA]C:101 |
4 |
1 |
451 |
◊ |
N |
x,y,z |
1_555 |
6 |
1 |
2306 |
39.5 |
1.4 |
0.679 |
0 |
0 |
0 |
0.000 |
72 |
|
[MTA]I:101 |
4 |
1 |
441 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
2304 |
35.5 |
1.3 |
0.649 |
0 |
0 |
0 |
0.000 |
| Average: |
37.5 |
1.3 |
0.664 |
0 |
0 |
0 |
0.000 |
| 38 |
73 |
|
[MTA]O:101 |
4 |
1 |
449 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
2296 |
39.3 |
1.4 |
0.677 |
0 |
0 |
0 |
0.000 |
| 39 |
74 |
|
[NA]D:102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
2213 |
33.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.033 |
| 40 |
75 |
|
[SO4]D:101 |
3 |
1 |
186 |
◊ |
O |
-x-1/2,y-1/2,-z |
4_445 |
5 |
3 |
5105 |
30.8 |
-4.6 |
0.725 |
0 |
0 |
0 |
0.000 |
| 41 |
76 |
|
[SO4]J:101 |
2 |
1 |
185 |
◊ |
I |
-x+1,y,-z |
2_655 |
5 |
3 |
5095 |
29.3 |
-4.4 |
0.712 |
0 |
0 |
0 |
0.000 |
| 42 |
77 |
|
[CBV]C:10 |
3 |
1 |
455 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
5105 |
19.6 |
-1.4 |
0.387 |
0 |
0 |
0 |
0.000 |
| 43 |
78 |
|
F |
1 |
1 |
5048 |
◊ |
[CBV]A:10 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
451 |
17.4 |
-0.2 |
0.569 |
0 |
0 |
0 |
0.000 |
79 |
|
[CBV]M:10 |
3 |
1 |
455 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
5063 |
14.8 |
-0.2 |
0.557 |
0 |
0 |
0 |
0.000 |
80 |
|
M |
1 |
1 |
5047 |
◊ |
[CBV]F:10 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
454 |
14.3 |
-0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
| Average: |
15.5 |
-0.2 |
0.561 |
0 |
0 |
0 |
0.000 |
| 44 |
81 |
|
M |
5 |
1 |
5047 |
◊ |
M |
-x-1,y,-z+1 |
2_456 |
5 |
1 |
5047 |
13.8 |
-0.4 |
0.641 |
0 |
0 |
0 |
0.000 |
| 45 |
82 |
|
[MTA]M:102 |
6 |
1 |
445 |
◊ |
[MTA]M:101 |
x,y,z |
1_555 |
1 |
1 |
451 |
12.7 |
0.8 |
0.585 |
0 |
0 |
0 |
0.000 |
| 46 |
83 |
|
[MTA]B:101 |
1 |
1 |
439 |
◊ |
[MTA]A:101 |
x,y,z |
1_555 |
6 |
1 |
444 |
12.4 |
0.7 |
0.572 |
0 |
0 |
0 |
0.000 |
84 |
|
[MTA]G:101 |
1 |
1 |
443 |
◊ |
[MTA]F:101 |
x,y,z |
1_555 |
6 |
1 |
458 |
11.5 |
0.7 |
0.569 |
0 |
0 |
0 |
0.000 |
| Average: |
11.9 |
0.7 |
0.570 |
0 |
0 |
0 |
0.000 |
| 47 |
85 |
|
N |
4 |
2 |
2306 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
2 |
2296 |
11.9 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.000 |
86 |
|
B |
4 |
2 |
2304 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
2304 |
10.6 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
11.3 |
-0.4 |
0.579 |
0 |
0 |
0 |
0.000 |
| 48 |
87 |
|
[NA]F:102 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
5095 |
9.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
88 |
|
[CBV]I:10 |
2 |
1 |
455 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5095 |
6.4 |
-0.2 |
0.328 |
0 |
0 |
0 |
0.000 |
| 50 |
89 |
|
[SO4]J:101 |
1 |
1 |
185 |
◊ |
J |
-x+1,y,-z |
2_655 |
1 |
1 |
2192 |
5.2 |
-0.9 |
0.428 |
0 |
0 |
0 |
0.009 |
| 51 |
90 |
|
[NA]D:102 |
1 |
1 |
125 |
◊ |
O |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
5105 |
3.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
91 |
|
[SO4]D:101 |
1 |
1 |
186 |
◊ |
P |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
2188 |
2.2 |
-0.4 |
0.533 |
0 |
0 |
0 |
0.000 |
| 53 |
92 |
|
[CBV]O:10 |
1 |
1 |
457 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
5095 |
1.5 |
-0.2 |
0.281 |
0 |
0 |
0 |
0.000 |
| 54 |
93 |
|
O |
1 |
1 |
5105 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5095 |
0.6 |
-0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
|