## |
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 |
|
C |
170 |
40 |
8670 |
◊ |
B |
x,y,z |
1_555 |
166 |
43 |
8675 |
1557.4 |
-12.2 |
0.444 |
21 |
9 |
0 |
0.380 |
2 |
|
E |
168 |
40 |
8653 |
◊ |
D |
x,y,z |
1_555 |
163 |
43 |
8674 |
1553.0 |
-12.1 |
0.427 |
24 |
9 |
0 |
0.380 |
3 |
|
J |
167 |
43 |
8661 |
◊ |
F |
x,y,z |
1_555 |
166 |
39 |
8664 |
1549.9 |
-12.2 |
0.445 |
24 |
9 |
0 |
0.380 |
4 |
|
E |
166 |
43 |
8653 |
◊ |
A |
x,y,z |
1_555 |
165 |
40 |
8661 |
1546.9 |
-12.4 |
0.428 |
22 |
8 |
0 |
0.380 |
5 |
|
H |
163 |
39 |
8642 |
◊ |
G |
x,y,z |
1_555 |
168 |
43 |
8684 |
1546.1 |
-12.2 |
0.436 |
22 |
9 |
0 |
0.380 |
6 |
|
D |
167 |
40 |
8674 |
◊ |
C |
x,y,z |
1_555 |
161 |
43 |
8670 |
1544.2 |
-11.9 |
0.440 |
22 |
9 |
0 |
0.380 |
7 |
|
G |
168 |
40 |
8684 |
◊ |
F |
x,y,z |
1_555 |
165 |
43 |
8664 |
1541.6 |
-12.1 |
0.441 |
23 |
8 |
0 |
0.380 |
8 |
|
I |
166 |
39 |
8650 |
◊ |
H |
x,y,z |
1_555 |
164 |
43 |
8642 |
1539.7 |
-12.2 |
0.433 |
23 |
8 |
0 |
0.380 |
9 |
|
B |
169 |
39 |
8675 |
◊ |
A |
x,y,z |
1_555 |
166 |
43 |
8661 |
1536.6 |
-12.2 |
0.444 |
21 |
9 |
0 |
0.380 |
10 |
|
J |
166 |
39 |
8661 |
◊ |
I |
x,y,z |
1_555 |
165 |
43 |
8650 |
1533.0 |
-12.1 |
0.444 |
22 |
9 |
0 |
0.380 |
Average: |
1544.8 |
-12.2 |
0.438 |
22 |
9 |
0 |
0.380 |
2 |
11 |
|
[LMZ]B:202 |
19 |
1 |
451 |
f |
B |
x,y,z |
1_555 |
42 |
14 |
8675 |
271.5 |
2.5 |
0.572 |
8 |
0 |
0 |
0.025 |
12 |
|
[LMZ]H:208 |
19 |
1 |
454 |
f |
H |
x,y,z |
1_555 |
38 |
13 |
8642 |
268.2 |
2.6 |
0.558 |
9 |
0 |
0 |
0.025 |
13 |
|
[LMZ]E:205 |
19 |
1 |
452 |
f |
E |
x,y,z |
1_555 |
41 |
13 |
8653 |
267.9 |
2.5 |
0.558 |
9 |
0 |
0 |
0.025 |
14 |
|
[LMZ]G:207 |
19 |
1 |
451 |
f |
G |
x,y,z |
1_555 |
38 |
13 |
8684 |
267.4 |
2.5 |
0.551 |
10 |
0 |
0 |
0.025 |
15 |
|
[LMZ]J:210 |
19 |
1 |
451 |
f |
J |
x,y,z |
1_555 |
39 |
13 |
8661 |
266.8 |
2.6 |
0.570 |
8 |
0 |
0 |
0.025 |
16 |
|
[LMZ]I:209 |
19 |
1 |
452 |
f |
I |
x,y,z |
1_555 |
40 |
14 |
8650 |
266.6 |
2.5 |
0.565 |
9 |
0 |
0 |
0.025 |
17 |
|
[LMZ]A:201 |
19 |
1 |
449 |
f |
A |
x,y,z |
1_555 |
40 |
14 |
8661 |
266.2 |
2.5 |
0.571 |
9 |
0 |
0 |
0.025 |
18 |
|
[LMZ]D:204 |
19 |
1 |
451 |
f |
D |
x,y,z |
1_555 |
39 |
13 |
8674 |
266.1 |
2.5 |
0.565 |
9 |
0 |
0 |
0.025 |
19 |
|
[LMZ]F:206 |
19 |
1 |
451 |
f |
F |
x,y,z |
1_555 |
37 |
13 |
8664 |
265.6 |
2.5 |
0.567 |
9 |
0 |
0 |
0.025 |
20 |
|
[LMZ]C:203 |
19 |
1 |
451 |
f |
C |
x,y,z |
1_555 |
38 |
13 |
8670 |
264.8 |
2.5 |
0.563 |
10 |
0 |
0 |
0.025 |
Average: |
267.1 |
2.5 |
0.564 |
9 |
0 |
0 |
0.025 |
3 |
21 |
|
B |
34 |
8 |
8675 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
45 |
11 |
8650 |
249.8 |
-0.5 |
0.684 |
4 |
1 |
0 |
0.000 |
4 |
22 |
|
C |
30 |
10 |
8670 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
7 |
8661 |
231.9 |
-2.3 |
0.476 |
2 |
0 |
0 |
0.000 |
5 |
23 |
|
H |
30 |
11 |
8642 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
30 |
7 |
8653 |
223.9 |
-1.4 |
0.582 |
3 |
0 |
0 |
0.000 |
6 |
24 |
|
A |
21 |
7 |
8661 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
7 |
8650 |
193.6 |
-1.8 |
0.486 |
4 |
0 |
0 |
0.024 |
25 |
|
E |
22 |
7 |
8653 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
23 |
7 |
8661 |
186.8 |
-1.6 |
0.512 |
4 |
0 |
0 |
0.024 |
26 |
|
B |
21 |
7 |
8675 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
7 |
8642 |
186.4 |
-1.7 |
0.498 |
3 |
0 |
0 |
0.024 |
27 |
|
D |
23 |
7 |
8674 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
7 |
8664 |
183.6 |
-1.6 |
0.512 |
2 |
0 |
0 |
0.024 |
28 |
|
C |
21 |
7 |
8670 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
7 |
8684 |
178.8 |
-1.6 |
0.510 |
2 |
0 |
0 |
0.024 |
Average: |
185.8 |
-1.7 |
0.504 |
3 |
0 |
0 |
0.024 |
7 |
29 |
|
J |
20 |
8 |
8661 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
9 |
8674 |
137.9 |
-2.2 |
0.411 |
0 |
0 |
0 |
0.000 |
8 |
30 |
|
I |
16 |
7 |
8650 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
4 |
8661 |
119.2 |
-1.2 |
0.438 |
0 |
1 |
0 |
0.000 |
9 |
31 |
|
C |
11 |
4 |
8670 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
5 |
8664 |
111.8 |
-1.0 |
0.504 |
0 |
0 |
0 |
0.010 |
32 |
|
E |
13 |
5 |
8653 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
4 |
8650 |
101.8 |
-0.6 |
0.553 |
0 |
0 |
0 |
0.010 |
33 |
|
B |
10 |
4 |
8675 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
5 |
8684 |
100.4 |
-1.4 |
0.363 |
0 |
0 |
0 |
0.010 |
34 |
|
A |
11 |
5 |
8661 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
5 |
8642 |
98.5 |
-1.3 |
0.425 |
0 |
0 |
0 |
0.010 |
35 |
|
D |
13 |
5 |
8674 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
5 |
8661 |
97.8 |
-1.6 |
0.385 |
1 |
0 |
0 |
0.010 |
Average: |
102.1 |
-1.2 |
0.446 |
0 |
0 |
0 |
0.010 |
10 |
36 |
|
H |
16 |
7 |
8642 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
15 |
9 |
8661 |
101.2 |
1.3 |
0.832 |
0 |
0 |
0 |
0.000 |
11 |
37 |
|
[SO4]J:310 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
19 |
7 |
8661 |
95.5 |
-14.2 |
0.663 |
5 |
0 |
0 |
0.059 |
12 |
38 |
|
[SO4]F:306 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
8664 |
93.2 |
-13.9 |
0.659 |
4 |
0 |
0 |
0.103 |
39 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
8675 |
91.2 |
-13.8 |
0.654 |
4 |
0 |
0 |
0.103 |
40 |
|
[SO4]D:304 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
8674 |
91.2 |
-13.8 |
0.650 |
5 |
0 |
0 |
0.103 |
Average: |
91.8 |
-13.8 |
0.654 |
4 |
0 |
0 |
0.103 |
13 |
41 |
|
[SO4]A:301 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8661 |
92.4 |
-14.1 |
0.652 |
4 |
0 |
0 |
0.102 |
42 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
8670 |
92.3 |
-13.7 |
0.650 |
4 |
0 |
0 |
0.102 |
43 |
|
[SO4]I:309 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
17 |
7 |
8650 |
90.7 |
-13.6 |
0.653 |
4 |
0 |
0 |
0.102 |
Average: |
91.8 |
-13.8 |
0.652 |
4 |
0 |
0 |
0.102 |
14 |
44 |
|
[SO4]E:305 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
8653 |
91.2 |
-14.0 |
0.639 |
4 |
0 |
0 |
0.057 |
15 |
45 |
|
[SO4]H:308 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
17 |
6 |
8642 |
90.9 |
-13.7 |
0.656 |
4 |
0 |
0 |
0.057 |
16 |
46 |
|
[SO4]G:307 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
17 |
7 |
8684 |
90.8 |
-13.8 |
0.653 |
4 |
0 |
0 |
0.057 |
17 |
47 |
|
[LMZ]C:203 |
8 |
1 |
451 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
8675 |
82.7 |
-0.7 |
0.215 |
1 |
0 |
0 |
0.020 |
48 |
|
[LMZ]H:208 |
7 |
1 |
454 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
8684 |
81.2 |
-0.8 |
0.200 |
1 |
0 |
0 |
0.020 |
49 |
|
[LMZ]I:209 |
8 |
1 |
452 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
8642 |
81.1 |
-0.8 |
0.205 |
1 |
0 |
0 |
0.020 |
50 |
|
[LMZ]G:207 |
7 |
1 |
451 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
8664 |
80.0 |
-0.8 |
0.194 |
1 |
0 |
0 |
0.020 |
51 |
|
[LMZ]J:210 |
8 |
1 |
451 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
8650 |
79.6 |
-0.8 |
0.204 |
1 |
0 |
0 |
0.020 |
52 |
|
[LMZ]E:205 |
8 |
1 |
452 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
8674 |
79.3 |
-0.8 |
0.190 |
1 |
0 |
0 |
0.020 |
53 |
|
[LMZ]F:206 |
8 |
1 |
451 |
◊ |
J |
x,y,z |
1_555 |
10 |
4 |
8661 |
78.8 |
-0.8 |
0.190 |
1 |
0 |
0 |
0.020 |
54 |
|
[LMZ]A:201 |
9 |
1 |
449 |
◊ |
E |
x,y,z |
1_555 |
13 |
7 |
8653 |
78.7 |
-0.9 |
0.184 |
1 |
0 |
0 |
0.020 |
55 |
|
[LMZ]D:204 |
7 |
1 |
451 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
8670 |
77.6 |
-0.8 |
0.206 |
1 |
0 |
0 |
0.020 |
56 |
|
[LMZ]B:202 |
7 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8661 |
76.6 |
-0.8 |
0.197 |
1 |
0 |
0 |
0.020 |
Average: |
79.6 |
-0.8 |
0.198 |
1 |
0 |
0 |
0.020 |
18 |
57 |
|
[SO4]H:406 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
8642 |
63.0 |
-8.6 |
0.830 |
1 |
0 |
0 |
0.033 |
19 |
58 |
|
H |
7 |
1 |
8642 |
◊ |
[SO4]A:404 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
189 |
62.0 |
-7.7 |
0.807 |
0 |
0 |
0 |
0.000 |
20 |
59 |
|
C |
9 |
4 |
8670 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
8650 |
60.4 |
0.6 |
0.759 |
0 |
0 |
0 |
0.000 |
21 |
60 |
|
[SO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8675 |
58.8 |
-8.4 |
0.844 |
2 |
0 |
0 |
0.032 |
22 |
61 |
|
[SO4]A:404 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
8661 |
57.8 |
-8.2 |
0.831 |
3 |
0 |
0 |
0.034 |
23 |
62 |
|
[SO4]J:408 |
4 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
8664 |
56.6 |
-7.6 |
0.840 |
2 |
0 |
0 |
0.032 |
24 |
63 |
|
[SO4]E:403 |
4 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
8653 |
56.1 |
-8.0 |
0.840 |
2 |
0 |
0 |
0.032 |
25 |
64 |
|
[SO4]I:407 |
4 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
9 |
4 |
8661 |
55.4 |
-7.6 |
0.843 |
3 |
0 |
0 |
0.032 |
26 |
65 |
|
[SO4]F:405 |
4 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8684 |
54.3 |
-7.4 |
0.848 |
3 |
0 |
0 |
0.032 |
27 |
66 |
|
[SO4]C:402 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8670 |
52.9 |
-5.5 |
0.943 |
1 |
0 |
0 |
0.019 |
28 |
67 |
|
[SO4]J:408 |
4 |
1 |
189 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
8661 |
52.6 |
-5.8 |
0.953 |
2 |
0 |
0 |
0.022 |
29 |
68 |
|
[SO4]F:405 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
8664 |
52.3 |
-5.4 |
0.934 |
1 |
0 |
0 |
0.019 |
30 |
69 |
|
[SO4]E:403 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8674 |
51.3 |
-4.9 |
0.958 |
2 |
0 |
0 |
0.019 |
31 |
70 |
|
[SO4]C:402 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8674 |
51.2 |
-7.1 |
0.842 |
2 |
0 |
0 |
0.030 |
32 |
71 |
|
[SO4]E:305 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8674 |
49.8 |
-4.6 |
0.969 |
2 |
0 |
0 |
0.018 |
33 |
72 |
|
[SO4]D:304 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8670 |
49.3 |
-4.5 |
0.967 |
3 |
0 |
0 |
0.073 |
73 |
|
[SO4]C:303 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8675 |
48.8 |
-4.5 |
0.977 |
2 |
0 |
0 |
0.073 |
74 |
|
[SO4]F:306 |
4 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
8661 |
48.7 |
-4.5 |
0.980 |
2 |
0 |
0 |
0.073 |
75 |
|
[SO4]B:302 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8661 |
48.4 |
-4.5 |
0.980 |
2 |
0 |
0 |
0.073 |
76 |
|
[SO4]A:301 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
8653 |
46.7 |
-4.4 |
0.976 |
3 |
0 |
0 |
0.073 |
Average: |
48.4 |
-4.5 |
0.976 |
2 |
0 |
0 |
0.073 |
34 |
77 |
|
[SO4]G:307 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
8664 |
49.0 |
-4.7 |
0.968 |
3 |
0 |
0 |
0.020 |
35 |
78 |
|
[SO4]I:309 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
8642 |
48.5 |
-4.6 |
0.977 |
3 |
0 |
0 |
0.019 |
36 |
79 |
|
[SO4]H:308 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
8684 |
48.3 |
-4.3 |
0.982 |
3 |
0 |
0 |
0.018 |
37 |
80 |
|
[SO4]B:401 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8661 |
48.2 |
-4.5 |
0.968 |
1 |
0 |
0 |
0.016 |
38 |
81 |
|
[SO4]I:407 |
4 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
8650 |
48.1 |
-4.5 |
0.954 |
3 |
0 |
0 |
0.019 |
39 |
82 |
|
[SO4]J:310 |
4 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
8650 |
47.3 |
-4.2 |
0.980 |
2 |
0 |
0 |
0.016 |
40 |
83 |
|
[SO4]H:406 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8684 |
47.2 |
-4.7 |
0.956 |
2 |
0 |
0 |
0.018 |
41 |
84 |
|
[SO4]A:404 |
4 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
8653 |
44.3 |
-4.4 |
0.970 |
1 |
0 |
0 |
0.016 |
42 |
85 |
|
F |
5 |
2 |
8664 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
8642 |
35.4 |
-0.4 |
0.505 |
0 |
0 |
0 |
0.000 |
43 |
86 |
|
C |
4 |
1 |
8670 |
◊ |
[SO4]B:401 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
187 |
22.5 |
-2.8 |
0.817 |
1 |
0 |
0 |
0.000 |
44 |
87 |
|
A |
4 |
1 |
8661 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
8661 |
18.0 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
88 |
|
C |
4 |
1 |
8670 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
8642 |
14.0 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
89 |
|
B |
4 |
1 |
8675 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
8650 |
13.0 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
90 |
|
D |
4 |
1 |
8674 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
8684 |
8.5 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
91 |
|
E |
4 |
1 |
8653 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
8664 |
8.0 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
Average: |
12.3 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
45 |
92 |
|
[SO4]I:409 |
2 |
1 |
189 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
8650 |
16.9 |
-2.2 |
0.706 |
0 |
0 |
0 |
0.011 |
46 |
93 |
|
F |
4 |
2 |
8664 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
8684 |
16.7 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
47 |
94 |
|
[LMZ]I:209 |
2 |
1 |
452 |
f |
[SO4]I:309 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.8 |
-1.6 |
0.460 |
0 |
0 |
0 |
0.008 |
95 |
|
[LMZ]A:201 |
2 |
1 |
449 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.4 |
-1.5 |
0.460 |
0 |
0 |
0 |
0.008 |
96 |
|
[LMZ]C:203 |
2 |
1 |
451 |
f |
[SO4]C:303 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.1 |
-1.1 |
0.456 |
0 |
0 |
0 |
0.008 |
Average: |
11.4 |
-1.4 |
0.459 |
0 |
0 |
0 |
0.008 |
48 |
97 |
|
[LMZ]E:205 |
2 |
1 |
452 |
f |
[SO4]E:305 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.4 |
-1.5 |
0.460 |
0 |
0 |
0 |
0.005 |
49 |
98 |
|
[LMZ]B:202 |
2 |
1 |
451 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.2 |
-1.4 |
0.460 |
0 |
0 |
0 |
0.008 |
99 |
|
[LMZ]F:206 |
2 |
1 |
451 |
f |
[SO4]F:306 |
x,y,z |
1_555 |
1 |
1 |
186 |
9.3 |
-1.1 |
0.456 |
0 |
0 |
0 |
0.008 |
100 |
|
[LMZ]D:204 |
2 |
1 |
451 |
f |
[SO4]D:304 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.2 |
-0.9 |
0.456 |
0 |
0 |
0 |
0.008 |
Average: |
9.9 |
-1.2 |
0.458 |
0 |
0 |
0 |
0.008 |
50 |
101 |
|
[LMZ]J:210 |
2 |
1 |
451 |
f |
[SO4]J:310 |
x,y,z |
1_555 |
1 |
1 |
187 |
11.3 |
-1.3 |
0.460 |
0 |
0 |
0 |
0.005 |
51 |
102 |
|
[SO4]C:410 |
2 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
8675 |
11.1 |
-1.5 |
0.593 |
0 |
0 |
0 |
0.005 |
52 |
103 |
|
[SO4]I:409 |
2 |
1 |
189 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
8684 |
10.8 |
-1.4 |
0.594 |
0 |
0 |
0 |
0.005 |
53 |
104 |
|
[SO4]C:410 |
2 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8653 |
10.5 |
-1.4 |
0.603 |
0 |
0 |
0 |
0.005 |
54 |
105 |
|
[SO4]I:409 |
4 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8642 |
10.2 |
-1.2 |
0.618 |
0 |
0 |
0 |
0.004 |
55 |
106 |
|
[LMZ]G:207 |
2 |
1 |
451 |
f |
[SO4]G:307 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.0 |
-1.2 |
0.460 |
0 |
0 |
0 |
0.004 |
56 |
107 |
|
[SO4]C:410 |
3 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8674 |
9.7 |
-1.2 |
0.626 |
0 |
0 |
0 |
0.004 |
57 |
108 |
|
[SO4]C:410 |
1 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8670 |
9.5 |
-1.3 |
0.566 |
0 |
0 |
0 |
0.004 |
58 |
109 |
|
[LMZ]H:208 |
2 |
1 |
454 |
f |
[SO4]H:308 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.2 |
-1.1 |
0.456 |
0 |
0 |
0 |
0.004 |
59 |
110 |
|
[SO4]C:410 |
2 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8661 |
7.5 |
-1.0 |
0.707 |
0 |
0 |
0 |
0.003 |
60 |
111 |
|
[SO4]I:409 |
1 |
1 |
189 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
8661 |
7.1 |
-1.0 |
0.603 |
0 |
0 |
0 |
0.003 |
61 |
112 |
|
B |
1 |
1 |
8675 |
◊ |
[SO4]I:407 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
187 |
6.6 |
-0.7 |
0.802 |
0 |
0 |
0 |
0.000 |
62 |
113 |
|
[SO4]I:409 |
1 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8664 |
4.5 |
-0.6 |
0.618 |
0 |
0 |
0 |
0.002 |
63 |
114 |
|
E |
1 |
1 |
8653 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
8664 |
2.8 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
64 |
115 |
|
C |
2 |
1 |
8670 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
8675 |
1.8 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
|