## |
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 |
216 |
52 |
11172 |
◊ |
E |
x,y,z |
1_555 |
240 |
66 |
20898 |
2248.0 |
-22.5 |
0.043 |
31 |
3 |
0 |
0.164 |
2 |
|
B |
219 |
53 |
10989 |
◊ |
A |
x,y,z |
1_555 |
240 |
67 |
20896 |
2244.8 |
-23.5 |
0.051 |
29 |
6 |
0 |
0.164 |
3 |
|
H |
219 |
54 |
11138 |
◊ |
G |
x,y,z |
1_555 |
244 |
66 |
20829 |
2244.1 |
-22.4 |
0.053 |
30 |
3 |
0 |
0.164 |
4 |
|
D |
219 |
53 |
11152 |
◊ |
C |
x,y,z |
1_555 |
244 |
67 |
20965 |
2238.8 |
-23.9 |
0.043 |
27 |
3 |
0 |
0.164 |
Average: |
2243.9 |
-23.1 |
0.047 |
29 |
4 |
0 |
0.164 |
2 |
5 |
|
C |
105 |
30 |
20965 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
102 |
29 |
20829 |
928.8 |
-0.0 |
0.714 |
11 |
7 |
0 |
0.000 |
6 |
|
A |
101 |
29 |
20896 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
101 |
30 |
20898 |
903.3 |
-2.2 |
0.588 |
12 |
6 |
0 |
0.000 |
Average: |
916.1 |
-1.1 |
0.651 |
12 |
7 |
0 |
0.000 |
3 |
7 |
|
C |
58 |
18 |
20965 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
58 |
18 |
10989 |
533.3 |
-3.5 |
0.409 |
5 |
1 |
0 |
0.000 |
4 |
8 |
|
G |
60 |
20 |
20829 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
20896 |
513.8 |
-3.0 |
0.436 |
7 |
1 |
0 |
0.000 |
5 |
9 |
|
A |
33 |
11 |
20896 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
35 |
9 |
20898 |
288.1 |
-2.1 |
0.363 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
G |
28 |
6 |
20829 |
◊ |
C |
x,y,z |
1_555 |
27 |
6 |
20965 |
248.4 |
-2.5 |
0.307 |
0 |
0 |
0 |
0.000 |
11 |
|
E |
26 |
7 |
20898 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
20896 |
240.8 |
-2.7 |
0.284 |
0 |
0 |
0 |
0.000 |
Average: |
244.6 |
-2.6 |
0.295 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
E |
24 |
6 |
20898 |
◊ |
F |
x-1,y,z |
1_455 |
26 |
8 |
11172 |
237.7 |
-3.8 |
0.169 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
H |
22 |
6 |
11138 |
◊ |
G |
x-1,y,z |
1_455 |
30 |
8 |
20829 |
226.1 |
0.6 |
0.680 |
3 |
2 |
0 |
0.000 |
9 |
14 |
|
K |
12 |
3 |
438 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
20896 |
170.6 |
-1.8 |
0.592 |
3 |
0 |
0 |
0.002 |
10 |
15 |
|
L |
11 |
3 |
435 |
◊ |
C |
x,y,z |
1_555 |
23 |
9 |
20965 |
170.1 |
-1.6 |
0.575 |
3 |
0 |
0 |
0.002 |
11 |
16 |
|
J |
11 |
3 |
434 |
◊ |
G |
x,y,z |
1_555 |
24 |
9 |
20829 |
164.1 |
-1.9 |
0.556 |
2 |
0 |
0 |
0.002 |
12 |
17 |
|
I |
12 |
3 |
438 |
◊ |
E |
x,y,z |
1_555 |
24 |
10 |
20898 |
162.7 |
-0.9 |
0.674 |
3 |
0 |
0 |
0.002 |
13 |
18 |
|
H |
15 |
5 |
11138 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
20965 |
158.4 |
-3.8 |
0.081 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
13 |
4 |
10989 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
20898 |
157.8 |
-3.2 |
0.107 |
0 |
0 |
0 |
0.000 |
20 |
|
F |
14 |
4 |
11172 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
20896 |
153.9 |
-2.4 |
0.189 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
13 |
5 |
11152 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
20829 |
132.0 |
-3.2 |
0.102 |
0 |
0 |
0 |
0.000 |
Average: |
150.5 |
-3.1 |
0.120 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[SO4]A:48 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
29 |
14 |
20896 |
128.1 |
-19.2 |
0.618 |
2 |
0 |
0 |
0.073 |
15 |
23 |
|
[SO4]E:22 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
24 |
13 |
20898 |
122.8 |
-19.0 |
0.660 |
4 |
0 |
0 |
0.088 |
16 |
24 |
|
[SO4]G:51 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
24 |
13 |
20829 |
121.1 |
-19.5 |
0.634 |
3 |
0 |
0 |
0.086 |
17 |
25 |
|
[SO4]C:52 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
20965 |
120.5 |
-18.2 |
0.631 |
3 |
0 |
0 |
0.088 |
18 |
26 |
|
[SO4]C:6 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
20965 |
110.6 |
-17.0 |
0.685 |
1 |
0 |
0 |
0.079 |
19 |
27 |
|
[SO4]G:1 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
21 |
9 |
20829 |
110.4 |
-17.2 |
0.613 |
1 |
0 |
0 |
0.073 |
20 |
28 |
|
[SO4]A:3 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
20896 |
106.3 |
-17.1 |
0.579 |
1 |
0 |
0 |
0.063 |
21 |
29 |
|
[SO4]E:4 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
22 |
8 |
20898 |
104.1 |
-17.0 |
0.638 |
1 |
0 |
0 |
0.074 |
22 |
30 |
|
[SO4]D:40 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
11152 |
102.5 |
-13.8 |
0.877 |
5 |
0 |
0 |
0.072 |
23 |
31 |
|
[SO4]A:35 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20896 |
101.3 |
-14.0 |
0.836 |
2 |
0 |
0 |
0.000 |
24 |
32 |
|
[SO4]F:28 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
11172 |
100.7 |
-13.5 |
0.830 |
4 |
0 |
0 |
0.065 |
25 |
33 |
|
[SO4]H:19 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
11138 |
99.5 |
-14.1 |
0.819 |
4 |
0 |
0 |
0.065 |
26 |
34 |
|
[SO4]B:37 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
10989 |
99.3 |
-13.4 |
0.891 |
6 |
0 |
0 |
0.058 |
27 |
35 |
|
[SO4]D:67 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
11152 |
90.1 |
-12.3 |
0.812 |
0 |
0 |
0 |
0.055 |
28 |
36 |
|
[SO4]C:53 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
20965 |
90.0 |
-13.3 |
0.703 |
4 |
0 |
0 |
0.068 |
29 |
37 |
|
[SO4]G:16 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
16 |
6 |
20829 |
89.5 |
-12.2 |
0.799 |
2 |
0 |
0 |
0.054 |
30 |
38 |
|
[SO4]A:12 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
20896 |
88.5 |
-12.8 |
0.673 |
1 |
0 |
0 |
0.048 |
31 |
39 |
|
[SO4]A:49 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20896 |
88.4 |
-11.9 |
0.616 |
2 |
0 |
0 |
0.046 |
32 |
40 |
|
[SO4]F:66 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
16 |
4 |
11172 |
88.1 |
-12.2 |
0.757 |
1 |
0 |
0 |
0.054 |
33 |
41 |
|
[SO4]E:25 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
20898 |
87.5 |
-12.6 |
0.653 |
3 |
0 |
0 |
0.059 |
34 |
42 |
|
[SO4]H:65 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
16 |
4 |
11138 |
87.2 |
-12.7 |
0.699 |
1 |
0 |
0 |
0.054 |
35 |
43 |
|
[SO4]B:59 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10989 |
86.6 |
-10.7 |
0.896 |
2 |
0 |
0 |
0.042 |
36 |
44 |
|
[SO4]F:41 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
11172 |
86.3 |
-10.0 |
0.926 |
2 |
0 |
0 |
0.046 |
37 |
45 |
|
[SO4]G:56 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
20829 |
86.0 |
-13.3 |
0.718 |
3 |
0 |
0 |
0.060 |
38 |
46 |
|
[SO4]B:68 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
10989 |
85.3 |
-12.4 |
0.670 |
0 |
0 |
0 |
0.045 |
39 |
47 |
|
[SO4]A:50 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20896 |
84.2 |
-12.8 |
0.695 |
3 |
0 |
0 |
0.051 |
40 |
48 |
|
[SO4]D:63 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
11152 |
82.9 |
-11.4 |
0.620 |
0 |
0 |
0 |
0.052 |
41 |
49 |
|
[SO4]E:54 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
14 |
4 |
20898 |
82.9 |
-11.3 |
0.710 |
1 |
0 |
0 |
0.050 |
42 |
50 |
|
[SO4]G:55 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
12 |
4 |
20829 |
82.4 |
-11.6 |
0.645 |
2 |
0 |
0 |
0.052 |
43 |
51 |
|
[SO4]B:62 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
10989 |
80.7 |
-11.7 |
0.634 |
0 |
0 |
0 |
0.042 |
44 |
52 |
|
[SO4]D:39 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
11152 |
80.0 |
-9.9 |
0.887 |
2 |
0 |
0 |
0.049 |
45 |
53 |
|
[SO4]H:61 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
4 |
11138 |
79.4 |
-11.2 |
0.644 |
0 |
0 |
0 |
0.046 |
46 |
54 |
|
[SO4]F:64 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
11172 |
79.0 |
-11.3 |
0.601 |
0 |
0 |
0 |
0.048 |
47 |
55 |
|
[SO4]G:18 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
10 |
3 |
20829 |
78.5 |
-10.1 |
0.890 |
2 |
0 |
0 |
0.046 |
48 |
56 |
|
[SO4]E:26 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
20898 |
77.1 |
-12.5 |
0.343 |
3 |
0 |
0 |
0.059 |
49 |
57 |
|
[SO4]C:69 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
20965 |
76.6 |
-10.6 |
0.774 |
2 |
0 |
0 |
0.052 |
50 |
58 |
|
[SO4]C:11 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
20965 |
76.5 |
-10.7 |
0.718 |
2 |
0 |
0 |
0.052 |
51 |
59 |
|
[SO4]A:13 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20896 |
75.3 |
-12.3 |
0.376 |
1 |
0 |
0 |
0.046 |
52 |
60 |
|
[SO4]H:60 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
11138 |
75.3 |
-7.8 |
0.964 |
3 |
0 |
0 |
0.038 |
53 |
61 |
|
[SO4]C:46 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
20965 |
75.3 |
-9.7 |
0.821 |
1 |
0 |
0 |
0.046 |
54 |
62 |
|
[SO4]C:43 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
20965 |
74.5 |
-9.8 |
0.892 |
3 |
0 |
0 |
0.050 |
55 |
63 |
|
[SO4]E:24 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
20898 |
73.8 |
-9.8 |
0.838 |
2 |
0 |
0 |
0.045 |
56 |
64 |
|
[SO4]A:47 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20896 |
72.7 |
-11.0 |
0.677 |
3 |
0 |
0 |
0.045 |
57 |
65 |
|
[SO4]A:31 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20896 |
72.5 |
-9.3 |
0.839 |
4 |
0 |
0 |
0.040 |
58 |
66 |
|
[SO4]A:30 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20896 |
72.2 |
-10.3 |
0.731 |
1 |
0 |
0 |
0.039 |
59 |
67 |
|
[SO4]E:45 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
20898 |
72.2 |
-10.5 |
0.707 |
1 |
0 |
0 |
0.047 |
60 |
68 |
|
[SO4]E:23 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
20898 |
71.6 |
-10.3 |
0.634 |
1 |
0 |
0 |
0.046 |
61 |
69 |
|
[SO4]G:27 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
20829 |
71.3 |
-10.6 |
0.635 |
1 |
0 |
0 |
0.046 |
62 |
70 |
|
[SO4]G:17 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
20829 |
70.6 |
-9.5 |
0.722 |
2 |
0 |
0 |
0.043 |
63 |
71 |
|
[SO4]C:15 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
20965 |
70.5 |
-9.7 |
0.786 |
1 |
0 |
0 |
0.046 |
64 |
72 |
|
[SO4]G:42 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
20829 |
70.4 |
-10.2 |
0.731 |
3 |
0 |
0 |
0.048 |
65 |
73 |
|
[SO4]A:34 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20896 |
70.4 |
-10.0 |
0.787 |
1 |
0 |
0 |
0.038 |
66 |
74 |
|
[SO4]A:5 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20896 |
70.0 |
-9.8 |
0.673 |
2 |
0 |
0 |
0.038 |
67 |
75 |
|
[SO4]B:57 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10989 |
69.8 |
-9.9 |
0.670 |
1 |
0 |
0 |
0.037 |
68 |
76 |
|
[SO4]C:8 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
20965 |
69.3 |
-10.1 |
0.674 |
2 |
0 |
0 |
0.050 |
69 |
77 |
|
[SO4]G:7 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
20829 |
68.6 |
-9.6 |
0.696 |
2 |
0 |
0 |
0.043 |
70 |
78 |
|
[SO4]G:2 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
12 |
3 |
20829 |
66.6 |
-8.9 |
0.796 |
3 |
0 |
0 |
0.042 |
71 |
79 |
|
[SO4]E:33 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
20898 |
66.6 |
-9.2 |
0.666 |
2 |
0 |
0 |
0.043 |
72 |
80 |
|
[SO4]A:32 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20896 |
63.4 |
-8.4 |
0.714 |
1 |
0 |
0 |
0.032 |
73 |
81 |
|
[SO4]E:20 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
20898 |
62.0 |
-8.4 |
0.592 |
1 |
0 |
0 |
0.038 |
74 |
82 |
|
[SO4]C:9 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
20965 |
61.1 |
-8.1 |
0.776 |
2 |
0 |
0 |
0.041 |
75 |
83 |
|
[SO4]E:58 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
20898 |
58.6 |
-7.3 |
0.822 |
2 |
0 |
0 |
0.035 |
76 |
84 |
|
[SO4]B:38 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10989 |
52.7 |
-5.5 |
0.934 |
3 |
0 |
0 |
0.024 |
77 |
85 |
|
[SO4]E:44 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
20898 |
44.4 |
-4.3 |
0.948 |
1 |
0 |
0 |
0.020 |
78 |
86 |
|
[SO4]C:10 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
20965 |
43.2 |
-5.0 |
0.854 |
2 |
0 |
0 |
0.026 |
79 |
87 |
|
[SO4]C:10 |
4 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
1 |
10989 |
40.2 |
-5.0 |
0.257 |
0 |
0 |
0 |
0.000 |
80 |
88 |
|
[SO4]G:56 |
3 |
1 |
184 |
f |
[SO4]G:55 |
x,y,z |
1_555 |
3 |
1 |
185 |
37.2 |
-8.2 |
0.992 |
0 |
0 |
0 |
0.034 |
81 |
89 |
|
[SO4]F:64 |
3 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
20898 |
29.7 |
-3.7 |
0.721 |
0 |
0 |
0 |
0.016 |
82 |
90 |
|
[SO4]B:38 |
4 |
1 |
184 |
f |
[SO4]B:37 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.7 |
-6.5 |
0.995 |
0 |
0 |
0 |
0.024 |
83 |
91 |
|
[SO4]H:61 |
3 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
20829 |
27.8 |
-3.3 |
0.730 |
0 |
0 |
0 |
0.014 |
84 |
92 |
|
[SO4]B:62 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20896 |
27.3 |
-3.0 |
0.741 |
0 |
0 |
0 |
0.011 |
85 |
93 |
|
[SO4]H:60 |
3 |
1 |
184 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
20829 |
26.3 |
-2.2 |
0.978 |
1 |
0 |
0 |
0.000 |
86 |
94 |
|
[SO4]A:50 |
2 |
1 |
186 |
f |
[SO4]A:49 |
x,y,z |
1_555 |
4 |
1 |
185 |
23.0 |
-5.3 |
0.979 |
0 |
0 |
0 |
0.019 |
87 |
95 |
|
A |
4 |
1 |
20896 |
◊ |
[SO4]E:24 |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
184 |
18.7 |
-2.3 |
0.788 |
0 |
0 |
0 |
0.000 |
88 |
96 |
|
[SO4]D:63 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20965 |
18.4 |
-2.5 |
0.633 |
0 |
0 |
0 |
0.011 |
89 |
97 |
|
[SO4]E:20 |
2 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
11172 |
18.2 |
-2.1 |
0.835 |
0 |
0 |
0 |
0.009 |
90 |
98 |
|
[SO4]A:31 |
1 |
1 |
185 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
20898 |
14.8 |
-1.8 |
0.750 |
0 |
0 |
0 |
0.000 |
91 |
99 |
|
[SO4]C:46 |
2 |
1 |
187 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
20829 |
12.8 |
-1.5 |
0.814 |
0 |
0 |
0 |
0.000 |
92 |
100 |
|
F |
2 |
1 |
11172 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10989 |
10.3 |
-0.3 |
0.334 |
0 |
0 |
0 |
0.000 |
101 |
|
H |
2 |
1 |
11138 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11152 |
9.1 |
-0.3 |
0.364 |
0 |
0 |
0 |
0.000 |
Average: |
9.7 |
-0.3 |
0.349 |
0 |
0 |
0 |
0.000 |
93 |
102 |
|
[SO4]A:5 |
2 |
1 |
186 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
20898 |
10.1 |
-1.4 |
0.436 |
0 |
0 |
0 |
0.000 |
94 |
103 |
|
D |
1 |
1 |
11152 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
20829 |
8.0 |
-0.0 |
0.469 |
0 |
0 |
0 |
0.000 |
95 |
104 |
|
[SO4]G:18 |
1 |
1 |
185 |
f |
[SO4]G:16 |
x,y,z |
1_555 |
3 |
1 |
185 |
6.7 |
-1.5 |
0.891 |
0 |
0 |
0 |
0.006 |
96 |
105 |
|
[SO4]A:13 |
1 |
1 |
185 |
f |
[SO4]A:12 |
x,y,z |
1_555 |
3 |
1 |
185 |
6.3 |
-1.5 |
0.891 |
0 |
0 |
0 |
0.005 |
97 |
106 |
|
C |
3 |
1 |
20965 |
◊ |
[SO4]G:17 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
186 |
4.8 |
-0.6 |
0.712 |
0 |
0 |
0 |
0.000 |
98 |
107 |
|
A |
1 |
1 |
20896 |
◊ |
[SO4]E:20 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
185 |
4.0 |
-0.5 |
0.589 |
0 |
0 |
0 |
0.000 |
99 |
108 |
|
[SO4]E:26 |
1 |
1 |
186 |
f |
[SO4]E:25 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.4 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.003 |
|