## |
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 |
142 |
39 |
5303 |
◊ |
A |
x,y,z |
1_555 |
137 |
38 |
5446 |
1402.1 |
-17.8 |
0.387 |
25 |
4 |
0 |
0.922 |
2 |
|
L |
141 |
38 |
5340 |
◊ |
K |
x,y,z |
1_555 |
140 |
38 |
5378 |
1397.8 |
-19.6 |
0.335 |
26 |
4 |
0 |
0.922 |
3 |
|
J |
140 |
39 |
5356 |
◊ |
I |
x,y,z |
1_555 |
141 |
38 |
5430 |
1395.8 |
-18.3 |
0.354 |
26 |
4 |
0 |
0.922 |
4 |
|
H |
138 |
37 |
5373 |
◊ |
G |
x,y,z |
1_555 |
146 |
40 |
5400 |
1389.0 |
-19.2 |
0.334 |
22 |
2 |
0 |
0.922 |
5 |
|
F |
134 |
38 |
5363 |
◊ |
E |
x,y,z |
1_555 |
136 |
37 |
5352 |
1375.6 |
-19.1 |
0.291 |
22 |
2 |
0 |
0.922 |
6 |
|
D |
137 |
37 |
5353 |
◊ |
C |
x,y,z |
1_555 |
139 |
39 |
5378 |
1370.9 |
-20.2 |
0.272 |
23 |
2 |
0 |
0.922 |
Average: |
1388.5 |
-19.0 |
0.329 |
24 |
3 |
0 |
0.922 |
2 |
7 |
|
L |
70 |
22 |
5340 |
◊ |
I |
x,y,z |
1_555 |
67 |
20 |
5430 |
679.7 |
-6.5 |
0.480 |
12 |
6 |
0 |
0.780 |
8 |
|
D |
69 |
21 |
5353 |
◊ |
A |
x,y,z |
1_555 |
64 |
20 |
5446 |
665.8 |
-6.4 |
0.480 |
12 |
6 |
0 |
0.780 |
9 |
|
F |
63 |
21 |
5363 |
◊ |
C |
x,y,z |
1_555 |
65 |
20 |
5378 |
665.4 |
-8.1 |
0.351 |
11 |
5 |
0 |
0.780 |
10 |
|
E |
66 |
21 |
5352 |
◊ |
B |
x,y,z |
1_555 |
64 |
22 |
5303 |
656.6 |
-6.5 |
0.460 |
12 |
6 |
0 |
0.780 |
11 |
|
K |
63 |
20 |
5378 |
◊ |
H |
x,y,z |
1_555 |
67 |
21 |
5373 |
649.3 |
-5.3 |
0.524 |
13 |
6 |
0 |
0.780 |
12 |
|
J |
69 |
22 |
5356 |
◊ |
G |
x,y,z |
1_555 |
64 |
21 |
5400 |
622.4 |
-5.2 |
0.570 |
12 |
6 |
0 |
0.780 |
Average: |
656.6 |
-6.4 |
0.477 |
12 |
6 |
0 |
0.780 |
3 |
13 |
|
K |
62 |
17 |
5378 |
◊ |
I |
x,y,z |
1_555 |
53 |
15 |
5430 |
515.6 |
-6.7 |
0.343 |
6 |
2 |
0 |
0.791 |
14 |
|
K |
56 |
16 |
5378 |
◊ |
G |
x,y,z |
1_555 |
62 |
19 |
5400 |
511.5 |
-7.2 |
0.384 |
6 |
2 |
0 |
0.791 |
15 |
|
C |
61 |
18 |
5378 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
5446 |
510.5 |
-7.0 |
0.371 |
6 |
2 |
0 |
0.791 |
16 |
|
I |
63 |
17 |
5430 |
◊ |
G |
x,y,z |
1_555 |
53 |
15 |
5400 |
510.0 |
-7.1 |
0.370 |
6 |
2 |
0 |
0.791 |
17 |
|
D |
54 |
15 |
5353 |
◊ |
B |
x,y,z |
1_555 |
61 |
17 |
5303 |
508.3 |
-7.0 |
0.368 |
6 |
2 |
0 |
0.791 |
18 |
|
F |
53 |
15 |
5363 |
◊ |
D |
x,y,z |
1_555 |
61 |
17 |
5353 |
507.1 |
-6.6 |
0.384 |
6 |
2 |
0 |
0.791 |
19 |
|
E |
55 |
15 |
5352 |
◊ |
A |
x,y,z |
1_555 |
62 |
17 |
5446 |
506.0 |
-7.2 |
0.363 |
6 |
2 |
0 |
0.791 |
20 |
|
E |
61 |
17 |
5352 |
◊ |
C |
x,y,z |
1_555 |
54 |
16 |
5378 |
505.3 |
-7.3 |
0.355 |
6 |
2 |
0 |
0.791 |
21 |
|
F |
62 |
17 |
5363 |
◊ |
B |
x,y,z |
1_555 |
54 |
15 |
5303 |
501.4 |
-7.1 |
0.367 |
6 |
2 |
0 |
0.791 |
22 |
|
L |
54 |
15 |
5340 |
◊ |
J |
x,y,z |
1_555 |
59 |
17 |
5356 |
495.9 |
-6.4 |
0.387 |
6 |
2 |
0 |
0.791 |
23 |
|
J |
52 |
15 |
5356 |
◊ |
H |
x,y,z |
1_555 |
60 |
16 |
5373 |
489.9 |
-6.3 |
0.384 |
6 |
2 |
0 |
0.791 |
24 |
|
L |
61 |
17 |
5340 |
◊ |
H |
x,y,z |
1_555 |
52 |
15 |
5373 |
488.3 |
-6.5 |
0.331 |
6 |
1 |
0 |
0.791 |
Average: |
504.1 |
-6.9 |
0.367 |
6 |
2 |
0 |
0.791 |
4 |
25 |
|
L |
21 |
7 |
5340 |
◊ |
L |
x,-y+1,-z |
4_565 |
21 |
7 |
5340 |
221.9 |
-3.0 |
0.488 |
0 |
0 |
0 |
0.000 |
5 |
26 |
|
K |
21 |
8 |
5378 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
5352 |
183.8 |
-1.4 |
0.626 |
1 |
2 |
0 |
0.000 |
6 |
27 |
|
F |
15 |
5 |
5363 |
◊ |
I |
-x+1,-y+1,z-1/2 |
2_664 |
21 |
6 |
5430 |
171.7 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
7 |
28 |
|
H |
23 |
8 |
5373 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
23 |
8 |
5353 |
125.2 |
0.3 |
0.808 |
0 |
0 |
0 |
0.000 |
29 |
|
E |
20 |
7 |
5352 |
◊ |
E |
-x+1,y,-z+1/2 |
3_655 |
20 |
7 |
5352 |
101.1 |
0.7 |
0.822 |
0 |
0 |
0 |
0.000 |
Average: |
113.2 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
8 |
30 |
|
J |
15 |
7 |
5356 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
13 |
3 |
5303 |
108.7 |
-0.1 |
0.706 |
1 |
0 |
0 |
0.000 |
9 |
31 |
|
G |
9 |
3 |
5400 |
◊ |
G |
x,-y+1,-z+1 |
4_566 |
9 |
3 |
5400 |
106.2 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
10 |
32 |
|
J |
10 |
3 |
5356 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
13 |
4 |
5446 |
96.5 |
-1.2 |
0.540 |
1 |
0 |
0 |
0.000 |
11 |
33 |
|
C |
13 |
4 |
5378 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
8 |
3 |
5303 |
92.1 |
-1.6 |
0.463 |
0 |
0 |
0 |
0.000 |
12 |
34 |
|
G |
8 |
1 |
5400 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
11 |
4 |
5353 |
85.2 |
1.1 |
0.857 |
2 |
2 |
0 |
0.000 |
35 |
|
H |
11 |
4 |
5373 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
8 |
1 |
5378 |
84.0 |
1.2 |
0.856 |
2 |
2 |
0 |
0.000 |
36 |
|
F |
8 |
1 |
5363 |
◊ |
E |
-x+1,y,-z+1/2 |
3_655 |
12 |
4 |
5352 |
82.3 |
1.2 |
0.859 |
2 |
2 |
0 |
0.000 |
Average: |
83.9 |
1.2 |
0.857 |
2 |
2 |
0 |
0.000 |
13 |
37 |
|
[WO4]D:406 |
5 |
1 |
204 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
5353 |
80.6 |
-1.3 |
0.634 |
0 |
0 |
0 |
0.173 |
38 |
|
[WO4]K:407 |
5 |
1 |
205 |
f |
K |
x,y,z |
1_555 |
16 |
6 |
5378 |
80.5 |
-1.3 |
0.634 |
0 |
0 |
0 |
0.173 |
39 |
|
[WO4]H:408 |
5 |
1 |
205 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
5373 |
80.5 |
-1.3 |
0.628 |
0 |
0 |
0 |
0.173 |
40 |
|
[WO4]C:404 |
5 |
1 |
205 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
5378 |
80.2 |
-1.3 |
0.637 |
0 |
0 |
0 |
0.173 |
41 |
|
[WO4]B:402 |
5 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
5303 |
80.2 |
-1.4 |
0.631 |
0 |
0 |
0 |
0.173 |
42 |
|
[WO4]G:411 |
5 |
1 |
205 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
5400 |
79.9 |
-1.3 |
0.626 |
0 |
0 |
0 |
0.173 |
43 |
|
[WO4]J:412 |
5 |
1 |
204 |
f |
J |
x,y,z |
1_555 |
17 |
6 |
5356 |
79.9 |
-1.2 |
0.644 |
0 |
0 |
0 |
0.173 |
44 |
|
[WO4]E:401 |
5 |
1 |
205 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
5352 |
79.7 |
-1.3 |
0.635 |
0 |
0 |
0 |
0.173 |
45 |
|
[WO4]A:405 |
5 |
1 |
204 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
5446 |
79.2 |
-1.3 |
0.628 |
0 |
0 |
0 |
0.173 |
46 |
|
[WO4]F:403 |
5 |
1 |
205 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
5363 |
79.0 |
-1.3 |
0.625 |
0 |
0 |
0 |
0.173 |
47 |
|
[WO4]I:410 |
5 |
1 |
204 |
f |
I |
x,y,z |
1_555 |
15 |
6 |
5430 |
78.9 |
-1.3 |
0.623 |
0 |
0 |
0 |
0.173 |
48 |
|
[WO4]L:409 |
5 |
1 |
204 |
f |
L |
x,y,z |
1_555 |
16 |
6 |
5340 |
78.7 |
-1.3 |
0.641 |
0 |
0 |
0 |
0.173 |
Average: |
79.8 |
-1.3 |
0.632 |
0 |
0 |
0 |
0.173 |
14 |
49 |
|
K |
8 |
2 |
5378 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
11 |
4 |
5353 |
72.9 |
-0.1 |
0.702 |
1 |
0 |
0 |
0.000 |
50 |
|
E |
9 |
3 |
5352 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
8 |
2 |
5303 |
69.0 |
0.2 |
0.740 |
1 |
0 |
0 |
0.000 |
51 |
|
H |
11 |
4 |
5373 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
8 |
2 |
5446 |
66.9 |
0.0 |
0.718 |
1 |
0 |
0 |
0.000 |
Average: |
69.6 |
0.0 |
0.720 |
1 |
0 |
0 |
0.000 |
15 |
52 |
|
A |
10 |
4 |
5446 |
◊ |
G |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
8 |
2 |
5400 |
71.6 |
-1.4 |
0.478 |
0 |
0 |
0 |
0.000 |
16 |
53 |
|
A |
9 |
4 |
5446 |
◊ |
J |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
11 |
5 |
5356 |
63.8 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
17 |
54 |
|
[WO4]L:415 |
5 |
1 |
205 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
5340 |
60.3 |
-1.4 |
0.588 |
0 |
0 |
0 |
0.073 |
18 |
55 |
|
[WO4]B:413 |
5 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
5303 |
60.1 |
-1.3 |
0.576 |
0 |
0 |
0 |
0.034 |
19 |
56 |
|
[WO4]G:416 |
5 |
1 |
204 |
f |
I |
x,y,z |
1_555 |
11 |
4 |
5430 |
59.9 |
-1.3 |
0.575 |
0 |
0 |
0 |
0.070 |
20 |
57 |
|
[WO4]A:414 |
5 |
1 |
205 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
5378 |
59.5 |
-1.3 |
0.577 |
0 |
0 |
0 |
0.033 |
21 |
58 |
|
[WO4]B:413 |
5 |
1 |
205 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
5363 |
59.1 |
-1.3 |
0.583 |
0 |
0 |
0 |
0.071 |
22 |
59 |
|
[WO4]A:414 |
5 |
1 |
205 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
5352 |
58.6 |
-1.2 |
0.581 |
0 |
0 |
0 |
0.031 |
23 |
60 |
|
[WO4]G:416 |
5 |
1 |
204 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
5400 |
58.5 |
-1.2 |
0.575 |
0 |
0 |
0 |
0.032 |
24 |
61 |
|
[WO4]A:414 |
5 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
5446 |
58.4 |
-1.3 |
0.578 |
0 |
0 |
0 |
0.075 |
25 |
62 |
|
[WO4]G:416 |
5 |
1 |
204 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
5378 |
58.1 |
-1.2 |
0.569 |
0 |
0 |
0 |
0.031 |
26 |
63 |
|
[WO4]B:413 |
5 |
1 |
205 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
5353 |
57.3 |
-1.2 |
0.580 |
0 |
0 |
0 |
0.031 |
27 |
64 |
|
[WO4]L:415 |
5 |
1 |
205 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
5373 |
56.9 |
-1.2 |
0.573 |
0 |
0 |
0 |
0.034 |
28 |
65 |
|
[WO4]L:415 |
5 |
1 |
205 |
◊ |
J |
x,y,z |
1_555 |
10 |
4 |
5356 |
56.7 |
-1.1 |
0.551 |
0 |
0 |
0 |
0.030 |
29 |
66 |
|
[WO4]K:407 |
5 |
1 |
205 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
5373 |
54.9 |
-0.4 |
0.669 |
0 |
0 |
0 |
0.061 |
67 |
|
[WO4]E:401 |
5 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
5303 |
54.0 |
-0.5 |
0.680 |
0 |
0 |
0 |
0.061 |
68 |
|
[WO4]B:402 |
5 |
1 |
205 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
5352 |
54.0 |
-0.5 |
0.680 |
0 |
0 |
0 |
0.061 |
69 |
|
[WO4]A:405 |
5 |
1 |
204 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
5353 |
53.9 |
-0.5 |
0.679 |
0 |
0 |
0 |
0.061 |
70 |
|
[WO4]C:404 |
5 |
1 |
205 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
5363 |
53.9 |
-0.4 |
0.674 |
0 |
0 |
0 |
0.061 |
71 |
|
[WO4]F:403 |
5 |
1 |
205 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
5378 |
53.8 |
-0.5 |
0.676 |
0 |
0 |
0 |
0.061 |
72 |
|
[WO4]L:409 |
5 |
1 |
204 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
5430 |
53.7 |
-0.5 |
0.672 |
0 |
0 |
0 |
0.061 |
73 |
|
[WO4]G:411 |
5 |
1 |
205 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
5356 |
53.6 |
-0.5 |
0.686 |
0 |
0 |
0 |
0.061 |
74 |
|
[WO4]J:412 |
5 |
1 |
204 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
5400 |
53.6 |
-0.4 |
0.688 |
0 |
0 |
0 |
0.061 |
75 |
|
[WO4]H:408 |
5 |
1 |
205 |
◊ |
K |
x,y,z |
1_555 |
11 |
5 |
5378 |
53.4 |
-0.5 |
0.686 |
0 |
0 |
0 |
0.061 |
76 |
|
[WO4]D:406 |
5 |
1 |
204 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
5446 |
53.4 |
-0.5 |
0.679 |
0 |
0 |
0 |
0.061 |
77 |
|
[WO4]I:410 |
5 |
1 |
204 |
◊ |
L |
x,y,z |
1_555 |
11 |
5 |
5340 |
53.0 |
-0.4 |
0.694 |
0 |
0 |
0 |
0.061 |
Average: |
53.8 |
-0.5 |
0.680 |
0 |
0 |
0 |
0.061 |
30 |
78 |
|
A |
8 |
3 |
5446 |
◊ |
I |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
5430 |
50.2 |
0.2 |
0.725 |
0 |
2 |
0 |
0.000 |
31 |
79 |
|
L |
4 |
1 |
5340 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
6 |
1 |
5446 |
37.9 |
-1.1 |
0.395 |
0 |
0 |
0 |
0.000 |
32 |
80 |
|
L |
3 |
2 |
5340 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
4 |
2 |
5303 |
29.3 |
-0.6 |
0.435 |
0 |
0 |
0 |
0.000 |
33 |
81 |
|
F |
3 |
1 |
5363 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
5363 |
26.1 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
82 |
|
G |
3 |
1 |
5400 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
5378 |
22.2 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
24.1 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
34 |
83 |
|
[WO4]J:412 |
4 |
1 |
204 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
5373 |
23.1 |
-0.1 |
0.661 |
0 |
0 |
0 |
0.010 |
84 |
|
[WO4]G:411 |
4 |
1 |
205 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
5430 |
22.5 |
-0.1 |
0.660 |
0 |
0 |
0 |
0.010 |
85 |
|
[WO4]I:410 |
4 |
1 |
204 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
5378 |
22.2 |
-0.1 |
0.659 |
0 |
0 |
0 |
0.010 |
86 |
|
[WO4]E:401 |
4 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
5446 |
22.0 |
-0.1 |
0.654 |
0 |
0 |
0 |
0.010 |
87 |
|
[WO4]C:404 |
4 |
1 |
205 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
5352 |
21.8 |
-0.2 |
0.652 |
0 |
0 |
0 |
0.010 |
88 |
|
[WO4]L:409 |
4 |
1 |
204 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
5356 |
21.3 |
-0.1 |
0.668 |
0 |
0 |
0 |
0.010 |
89 |
|
[WO4]F:403 |
4 |
1 |
205 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
5353 |
21.2 |
-0.1 |
0.656 |
0 |
0 |
0 |
0.010 |
90 |
|
[WO4]B:402 |
4 |
1 |
205 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
5363 |
21.1 |
-0.1 |
0.657 |
0 |
0 |
0 |
0.010 |
91 |
|
[WO4]A:405 |
4 |
1 |
204 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
5378 |
20.0 |
-0.1 |
0.662 |
0 |
0 |
0 |
0.010 |
92 |
|
[WO4]D:406 |
4 |
1 |
204 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
5303 |
19.9 |
-0.1 |
0.714 |
0 |
0 |
0 |
0.010 |
93 |
|
[WO4]H:408 |
4 |
1 |
205 |
◊ |
L |
x,y,z |
1_555 |
8 |
4 |
5340 |
19.5 |
0.0 |
0.751 |
0 |
0 |
0 |
0.010 |
94 |
|
[WO4]K:407 |
4 |
1 |
205 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
5400 |
19.2 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.010 |
Average: |
21.1 |
-0.1 |
0.671 |
0 |
0 |
0 |
0.010 |
35 |
95 |
|
K |
4 |
2 |
5378 |
◊ |
E |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
5352 |
22.5 |
0.5 |
0.792 |
0 |
0 |
0 |
0.000 |
36 |
96 |
|
C |
6 |
2 |
5378 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
5303 |
21.1 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
97 |
|
L |
5 |
2 |
5340 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
5400 |
16.9 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
98 |
|
I |
5 |
2 |
5430 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
5373 |
14.7 |
0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
99 |
|
E |
3 |
1 |
5352 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5353 |
11.2 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
100 |
|
K |
4 |
2 |
5378 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
5356 |
10.0 |
-0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
101 |
|
F |
3 |
1 |
5363 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5446 |
8.6 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
Average: |
13.8 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
37 |
102 |
|
E |
1 |
1 |
5352 |
◊ |
J |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
1 |
5356 |
9.6 |
-0.3 |
0.379 |
0 |
0 |
0 |
0.000 |
38 |
103 |
|
H |
1 |
1 |
5373 |
◊ |
G |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
5400 |
9.3 |
0.4 |
0.854 |
0 |
0 |
0 |
0.000 |
39 |
104 |
|
I |
1 |
1 |
5430 |
◊ |
I |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
5430 |
4.3 |
0.1 |
0.787 |
0 |
0 |
0 |
0.000 |
40 |
105 |
|
K |
1 |
1 |
5378 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
5363 |
4.2 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
41 |
106 |
|
D |
1 |
1 |
5353 |
◊ |
G |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
5400 |
2.8 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
42 |
107 |
|
[WO4]B:402 |
1 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5446 |
1.5 |
-0.0 |
0.460 |
0 |
0 |
0 |
0.000 |
108 |
|
[WO4]H:408 |
1 |
1 |
205 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
5400 |
1.2 |
-0.0 |
0.473 |
0 |
0 |
0 |
0.000 |
109 |
|
[WO4]G:411 |
1 |
1 |
205 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
5373 |
0.8 |
-0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
110 |
|
[WO4]L:409 |
1 |
1 |
204 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
5378 |
0.8 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
111 |
|
[WO4]I:410 |
1 |
1 |
204 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
5356 |
0.8 |
-0.0 |
0.481 |
0 |
0 |
0 |
0.000 |
112 |
|
[WO4]D:406 |
1 |
1 |
204 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5378 |
0.8 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
113 |
|
[WO4]E:401 |
1 |
1 |
205 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5363 |
0.7 |
-0.0 |
0.497 |
0 |
0 |
0 |
0.000 |
114 |
|
[WO4]F:403 |
1 |
1 |
205 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
5352 |
0.7 |
-0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
115 |
|
[WO4]A:405 |
1 |
1 |
204 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5303 |
0.7 |
-0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
116 |
|
[WO4]C:404 |
1 |
1 |
205 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5353 |
0.6 |
-0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
117 |
|
[WO4]K:407 |
1 |
1 |
205 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
5340 |
0.2 |
-0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
Average: |
0.8 |
-0.0 |
0.487 |
0 |
0 |
0 |
0.000 |
43 |
118 |
|
D |
1 |
1 |
5353 |
◊ |
H |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
5373 |
1.2 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
44 |
119 |
|
H |
2 |
1 |
5373 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
5373 |
1.0 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
|