| ## |
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 |
|
M |
449 |
110 |
20787 |
◊ |
L |
x,y,z |
1_555 |
451 |
107 |
16838 |
3978.7 |
-59.7 |
0.926 |
42 |
14 |
0 |
0.322 |
| 2 |
2 |
|
H |
301 |
85 |
17407 |
◊ |
M |
x,y,z |
1_555 |
271 |
66 |
20787 |
2683.1 |
-15.7 |
0.945 |
45 |
19 |
0 |
0.277 |
| 3 |
3 |
|
M |
282 |
67 |
20787 |
◊ |
C |
x,y,z |
1_555 |
270 |
69 |
18185 |
2601.6 |
-25.4 |
0.567 |
35 |
9 |
0 |
0.196 |
| 4 |
4 |
|
H |
196 |
62 |
17407 |
◊ |
L |
x,y,z |
1_555 |
182 |
47 |
16838 |
1786.1 |
-18.8 |
0.481 |
28 |
5 |
0 |
0.336 |
| 5 |
5 |
|
L |
188 |
47 |
16838 |
◊ |
C |
x,y,z |
1_555 |
167 |
45 |
18185 |
1646.0 |
-18.0 |
0.230 |
27 |
3 |
0 |
0.163 |
| 6 |
6 |
|
[BCB]M:806 |
61 |
1 |
1352 |
f |
M |
x,y,z |
1_555 |
89 |
34 |
20787 |
609.0 |
-9.6 |
0.587 |
1 |
0 |
0 |
0.072 |
| 7 |
7 |
|
[HEM]C:340 |
43 |
1 |
837 |
cf |
C |
x,y,z |
1_555 |
70 |
31 |
18185 |
585.5 |
-23.5 |
0.266 |
2 |
0 |
0 |
0.131 |
| 8 |
8 |
|
[NS5]M:600 |
36 |
1 |
1094 |
f |
M |
x,y,z |
1_555 |
75 |
25 |
20787 |
579.3 |
-6.7 |
0.424 |
0 |
0 |
0 |
0.048 |
| 9 |
9 |
|
[HEM]C:337 |
43 |
1 |
843 |
cf |
C |
x,y,z |
1_555 |
87 |
27 |
18185 |
565.9 |
-25.0 |
0.265 |
7 |
0 |
0 |
0.151 |
| 10 |
10 |
|
[HEM]C:338 |
43 |
1 |
789 |
cf |
C |
x,y,z |
1_555 |
74 |
33 |
18185 |
535.5 |
-22.4 |
0.252 |
2 |
0 |
0 |
0.125 |
| 11 |
11 |
|
[HEM]C:339 |
43 |
1 |
842 |
cf |
C |
x,y,z |
1_555 |
79 |
28 |
18185 |
534.5 |
-21.0 |
0.446 |
4 |
0 |
0 |
0.122 |
| 12 |
12 |
|
[BCB]L:302 |
58 |
1 |
1339 |
f |
L |
x,y,z |
1_555 |
92 |
28 |
16838 |
530.0 |
-7.9 |
0.665 |
3 |
0 |
0 |
0.097 |
| 13 |
13 |
|
[BPB]L:402 |
52 |
1 |
1330 |
f |
L |
x,y,z |
1_555 |
88 |
29 |
16838 |
524.1 |
-6.6 |
0.726 |
1 |
0 |
0 |
0.074 |
| 14 |
14 |
|
H |
54 |
13 |
17407 |
◊ |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
51 |
13 |
17407 |
513.9 |
-7.0 |
0.373 |
8 |
8 |
0 |
0.000 |
| 15 |
15 |
|
[BPB]M:401 |
45 |
1 |
1370 |
f |
M |
x,y,z |
1_555 |
63 |
19 |
20787 |
480.2 |
-7.7 |
0.620 |
1 |
0 |
0 |
0.058 |
| 16 |
16 |
|
[MQ7]M:501 |
34 |
1 |
1155 |
◊ |
M |
x,y,z |
1_555 |
70 |
20 |
20787 |
409.0 |
-1.3 |
0.843 |
2 |
0 |
0 |
0.009 |
| 17 |
17 |
|
H |
49 |
18 |
17407 |
◊ |
H |
-y+1,-x+1,-z-1/2 |
8_664 |
49 |
18 |
17407 |
406.8 |
-0.4 |
0.837 |
4 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[BCB]M:805 |
41 |
1 |
1349 |
◊ |
L |
x,y,z |
1_555 |
45 |
15 |
16838 |
379.8 |
-3.9 |
0.533 |
0 |
0 |
0 |
0.016 |
| 19 |
19 |
|
[BCB]M:805 |
38 |
1 |
1349 |
f |
M |
x,y,z |
1_555 |
29 |
15 |
20787 |
335.8 |
-8.0 |
0.218 |
0 |
0 |
0 |
0.057 |
| 20 |
20 |
|
H |
35 |
7 |
17407 |
◊ |
C |
x,y,z |
1_555 |
27 |
8 |
18185 |
319.9 |
-5.6 |
0.196 |
2 |
0 |
0 |
0.028 |
| 21 |
21 |
|
[BCB]L:304 |
39 |
1 |
1183 |
f |
L |
x,y,z |
1_555 |
42 |
16 |
16838 |
313.8 |
-7.7 |
0.324 |
0 |
0 |
0 |
0.081 |
| 22 |
22 |
|
[LDA]H:703 |
15 |
1 |
500 |
◊ |
H |
x,y,z |
1_555 |
41 |
12 |
17407 |
292.2 |
0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[CEB]L:502 |
16 |
1 |
456 |
f |
L |
x,y,z |
1_555 |
48 |
16 |
16838 |
286.5 |
-9.2 |
0.637 |
2 |
0 |
0 |
0.106 |
| 24 |
24 |
|
C |
32 |
11 |
18185 |
x |
C |
-y+1/2,x-1/2,z-1/4 |
3_544 |
35 |
9 |
18185 |
284.6 |
-2.6 |
0.562 |
3 |
1 |
0 |
0.000 |
| 25 |
25 |
|
[LDA]M:706 |
15 |
1 |
506 |
f |
M |
x,y,z |
1_555 |
39 |
11 |
20787 |
256.9 |
2.4 |
0.553 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[BPB]M:401 |
32 |
1 |
1370 |
◊ |
L |
x,y,z |
1_555 |
33 |
10 |
16838 |
249.2 |
-7.9 |
0.266 |
0 |
0 |
0 |
0.032 |
| 27 |
27 |
|
[MQ7]M:501 |
18 |
1 |
1155 |
f |
L |
x,y,z |
1_555 |
32 |
10 |
16838 |
238.7 |
-7.3 |
0.181 |
0 |
0 |
0 |
0.077 |
| 28 |
28 |
|
[LDA]M:704 |
15 |
1 |
506 |
f |
M |
x,y,z |
1_555 |
31 |
11 |
20787 |
238.3 |
-0.2 |
0.302 |
0 |
0 |
0 |
0.001 |
| 29 |
29 |
|
[BPB]L:402 |
35 |
1 |
1330 |
◊ |
M |
x,y,z |
1_555 |
34 |
10 |
20787 |
222.7 |
-6.8 |
0.317 |
0 |
0 |
0 |
0.027 |
| 30 |
30 |
|
[BPB]L:402 |
23 |
1 |
1330 |
f |
[BCB]L:304 |
x,y,z |
1_555 |
34 |
1 |
1183 |
220.5 |
-1.6 |
0.653 |
0 |
0 |
0 |
0.016 |
| 31 |
31 |
|
[BCB]L:304 |
32 |
1 |
1183 |
◊ |
M |
x,y,z |
1_555 |
29 |
9 |
20787 |
215.1 |
-2.2 |
0.625 |
0 |
0 |
0 |
0.009 |
| 32 |
32 |
|
[LDA]L:702 |
13 |
1 |
490 |
◊ |
M |
x,y,z |
1_555 |
26 |
10 |
20787 |
189.4 |
0.7 |
0.387 |
0 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[BCB]L:304 |
27 |
1 |
1183 |
f |
[BCB]L:302 |
x,y,z |
1_555 |
31 |
1 |
1339 |
186.3 |
-2.0 |
0.624 |
0 |
0 |
0 |
0.021 |
| 34 |
34 |
|
H |
24 |
7 |
17407 |
◊ |
H |
y,x,-z |
7_555 |
24 |
7 |
17407 |
184.8 |
-1.0 |
0.680 |
0 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[BPB]M:401 |
32 |
1 |
1370 |
f |
[BCB]M:806 |
x,y,z |
1_555 |
19 |
1 |
1352 |
176.9 |
0.9 |
0.803 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[BPB]L:402 |
37 |
1 |
1330 |
f |
[BCB]L:302 |
x,y,z |
1_555 |
15 |
1 |
1339 |
164.6 |
-0.1 |
0.741 |
0 |
0 |
0 |
0.001 |
| 37 |
37 |
|
[BPB]M:401 |
18 |
1 |
1370 |
f |
[BCB]M:805 |
x,y,z |
1_555 |
27 |
1 |
1349 |
163.7 |
-0.8 |
0.645 |
0 |
0 |
0 |
0.006 |
| 38 |
38 |
|
[BCB]M:805 |
17 |
1 |
1349 |
f |
[BCB]M:806 |
x,y,z |
1_555 |
27 |
1 |
1352 |
146.1 |
-1.4 |
0.580 |
0 |
0 |
0 |
0.010 |
| 39 |
39 |
|
[BCB]M:806 |
25 |
1 |
1352 |
◊ |
L |
x,y,z |
1_555 |
19 |
7 |
16838 |
145.4 |
-2.1 |
0.578 |
0 |
0 |
0 |
0.009 |
| 40 |
40 |
|
[BCB]M:806 |
34 |
1 |
1352 |
◊ |
[BCB]L:302 |
x,y,z |
1_555 |
30 |
1 |
1339 |
137.2 |
-3.3 |
0.561 |
0 |
0 |
0 |
0.013 |
| 41 |
41 |
|
[LDA]H:701 |
15 |
1 |
512 |
◊ |
H |
x,y,z |
1_555 |
16 |
7 |
17407 |
136.1 |
0.7 |
0.243 |
0 |
0 |
0 |
0.000 |
| 42 |
42 |
|
[LDA]H:701 |
12 |
1 |
512 |
◊ |
M |
x,y,z |
1_555 |
26 |
7 |
20787 |
135.7 |
-0.5 |
0.317 |
0 |
0 |
0 |
0.000 |
| 43 |
43 |
|
[LDA]L:702 |
10 |
1 |
490 |
f |
L |
x,y,z |
1_555 |
15 |
5 |
16838 |
131.2 |
-1.3 |
0.215 |
0 |
0 |
0 |
0.014 |
| 44 |
44 |
|
[LDA]M:705 |
11 |
1 |
511 |
◊ |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
20 |
6 |
17407 |
127.6 |
1.9 |
0.480 |
0 |
0 |
0 |
0.000 |
| 45 |
45 |
|
C |
17 |
6 |
18185 |
◊ |
H |
-y+1/2,x-1/2,z-1/4 |
3_544 |
7 |
1 |
17407 |
107.7 |
-3.5 |
0.050 |
1 |
0 |
0 |
0.000 |
| 46 |
46 |
|
[MQ7]M:501 |
14 |
1 |
1155 |
f |
[BPB]L:402 |
x,y,z |
1_555 |
7 |
1 |
1330 |
101.4 |
-1.3 |
0.510 |
0 |
0 |
0 |
0.014 |
| 47 |
47 |
|
[NS5]M:600 |
11 |
1 |
1094 |
f |
[BCB]M:805 |
x,y,z |
1_555 |
17 |
1 |
1349 |
101.2 |
-1.9 |
0.455 |
0 |
0 |
0 |
0.014 |
| 48 |
48 |
|
H |
7 |
3 |
17407 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
12 |
4 |
16838 |
97.8 |
-1.1 |
0.581 |
1 |
0 |
0 |
0.000 |
| 49 |
49 |
|
[BCB]L:302 |
22 |
1 |
1339 |
◊ |
M |
x,y,z |
1_555 |
13 |
5 |
20787 |
95.6 |
-1.2 |
0.686 |
0 |
0 |
0 |
0.005 |
| 50 |
50 |
|
[SO4]M:804 |
5 |
1 |
182 |
f |
M |
x,y,z |
1_555 |
17 |
9 |
20787 |
94.1 |
-12.1 |
0.857 |
5 |
0 |
0 |
0.103 |
| 51 |
51 |
|
[MQ7]M:501 |
9 |
1 |
1155 |
◊ |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
14 |
5 |
17407 |
91.2 |
-2.2 |
0.384 |
0 |
0 |
0 |
0.000 |
| 52 |
52 |
|
[LDA]L:702 |
9 |
1 |
490 |
◊ |
H |
x,y,z |
1_555 |
17 |
3 |
17407 |
89.2 |
2.4 |
0.532 |
0 |
0 |
0 |
0.000 |
| 53 |
53 |
|
[LDA]M:705 |
12 |
1 |
511 |
◊ |
[LDA]H:701 |
x,y,z |
1_555 |
12 |
1 |
512 |
86.5 |
1.9 |
0.143 |
0 |
0 |
0 |
0.000 |
| 54 |
54 |
|
H |
8 |
3 |
17407 |
◊ |
L |
y,x,-z |
7_555 |
12 |
4 |
16838 |
76.3 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
| 55 |
55 |
|
[SO4]H:801 |
5 |
1 |
181 |
f |
H |
x,y,z |
1_555 |
7 |
5 |
17407 |
75.8 |
-10.0 |
0.931 |
5 |
0 |
0 |
0.129 |
| 56 |
56 |
|
[LDA]M:705 |
8 |
1 |
511 |
◊ |
M |
x,y,z |
1_555 |
12 |
4 |
20787 |
68.8 |
0.8 |
0.447 |
0 |
0 |
0 |
0.000 |
| 57 |
57 |
|
[SO4]M:803 |
5 |
1 |
182 |
f |
M |
x,y,z |
1_555 |
5 |
3 |
20787 |
66.4 |
-6.9 |
0.982 |
2 |
0 |
0 |
0.056 |
| 58 |
58 |
|
[LDA]H:701 |
4 |
1 |
512 |
f |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
12 |
4 |
17407 |
65.7 |
-1.0 |
0.218 |
0 |
0 |
0 |
0.010 |
| 59 |
59 |
|
[HEM]C:337 |
3 |
1 |
843 |
◊ |
C |
-y+1/2,x-1/2,z-1/4 |
3_544 |
10 |
4 |
18185 |
64.3 |
-1.6 |
0.498 |
0 |
0 |
0 |
0.000 |
| 60 |
60 |
|
[SO4]M:802 |
5 |
1 |
181 |
f |
M |
x,y,z |
1_555 |
6 |
2 |
20787 |
62.2 |
-7.6 |
0.951 |
3 |
0 |
0 |
0.065 |
| 61 |
61 |
|
[HEM]C:339 |
3 |
1 |
842 |
◊ |
L |
x,y,z |
1_555 |
14 |
2 |
16838 |
58.7 |
-1.6 |
0.596 |
0 |
0 |
0 |
0.009 |
| 62 |
62 |
|
[BCB]M:805 |
8 |
1 |
1349 |
◊ |
[CEB]L:502 |
x,y,z |
1_555 |
5 |
1 |
456 |
57.7 |
0.5 |
0.696 |
0 |
0 |
0 |
0.000 |
| 63 |
63 |
|
[NS5]M:600 |
4 |
1 |
1094 |
f |
[BPB]M:401 |
x,y,z |
1_555 |
7 |
1 |
1370 |
52.3 |
0.9 |
0.659 |
0 |
0 |
0 |
0.000 |
| 64 |
64 |
|
[SO4]M:804 |
4 |
1 |
182 |
f |
[LDA]M:704 |
x,y,z |
1_555 |
5 |
1 |
506 |
51.2 |
-6.2 |
0.361 |
0 |
0 |
0 |
0.045 |
| 65 |
65 |
|
[LDA]M:705 |
7 |
1 |
511 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
17407 |
50.8 |
-0.6 |
0.248 |
0 |
0 |
0 |
0.006 |
| 66 |
66 |
|
[LDA]H:701 |
5 |
1 |
512 |
◊ |
[BCB]L:304 |
x,y,z |
1_555 |
6 |
1 |
1183 |
50.2 |
1.1 |
0.437 |
0 |
0 |
0 |
0.000 |
| 67 |
67 |
|
[HEM]C:339 |
5 |
1 |
842 |
◊ |
M |
x,y,z |
1_555 |
5 |
3 |
20787 |
50.0 |
-1.7 |
0.407 |
0 |
0 |
0 |
0.008 |
| 68 |
68 |
|
[SO4]M:803 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
17407 |
49.7 |
-6.3 |
0.655 |
0 |
0 |
0 |
0.045 |
| 69 |
69 |
|
[MQ7]M:501 |
7 |
1 |
1155 |
◊ |
[LDA]M:705 |
x,y,z |
1_555 |
8 |
1 |
511 |
49.6 |
1.6 |
0.472 |
0 |
0 |
0 |
0.000 |
| 70 |
70 |
|
[FE2]M:500 |
1 |
1 |
137 |
◊ |
M |
x,y,z |
1_555 |
9 |
5 |
20787 |
48.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.035 |
| 71 |
71 |
|
[BCB]M:805 |
5 |
1 |
1349 |
◊ |
[BCB]L:302 |
x,y,z |
1_555 |
8 |
1 |
1339 |
48.2 |
-1.4 |
0.464 |
0 |
0 |
0 |
0.006 |
| 72 |
72 |
|
[LDA]H:703 |
4 |
1 |
500 |
f |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
4 |
2 |
17407 |
48.0 |
-0.1 |
0.315 |
0 |
0 |
0 |
0.000 |
| 73 |
73 |
|
[BCB]L:304 |
7 |
1 |
1183 |
◊ |
[BCB]M:806 |
x,y,z |
1_555 |
8 |
1 |
1352 |
46.4 |
-1.4 |
0.465 |
0 |
0 |
0 |
0.005 |
| 74 |
74 |
|
[FE2]M:500 |
1 |
1 |
137 |
cf |
L |
x,y,z |
1_555 |
9 |
3 |
16838 |
46.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.071 |
| 75 |
75 |
|
[SO4]M:802 |
4 |
1 |
181 |
◊ |
L |
x,y,z |
1_555 |
8 |
2 |
16838 |
43.9 |
-6.0 |
0.833 |
0 |
0 |
0 |
0.024 |
| 76 |
76 |
|
[MQ7]M:501 |
6 |
1 |
1155 |
f |
[BCB]L:302 |
x,y,z |
1_555 |
4 |
1 |
1339 |
43.6 |
0.7 |
0.720 |
0 |
0 |
0 |
0.000 |
| 77 |
77 |
|
[MQ7]M:501 |
7 |
1 |
1155 |
◊ |
[LDA]H:701 |
x,y,z |
1_555 |
6 |
1 |
512 |
41.3 |
2.3 |
0.585 |
0 |
0 |
0 |
0.000 |
| 78 |
78 |
|
[LDA]M:705 |
6 |
1 |
511 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
16838 |
40.0 |
0.7 |
0.450 |
0 |
0 |
0 |
0.000 |
| 79 |
79 |
|
[SO4]H:801 |
3 |
1 |
181 |
◊ |
M |
x,y,z |
1_555 |
6 |
4 |
20787 |
39.7 |
-5.1 |
0.922 |
2 |
0 |
0 |
0.043 |
| 80 |
80 |
|
[HEM]C:338 |
3 |
1 |
789 |
f |
[HEM]C:337 |
x,y,z |
1_555 |
2 |
1 |
843 |
39.4 |
-1.3 |
0.575 |
0 |
0 |
0 |
0.013 |
81 |
|
[HEM]C:340 |
3 |
1 |
837 |
f |
[HEM]C:339 |
x,y,z |
1_555 |
3 |
1 |
842 |
39.0 |
-1.2 |
0.672 |
0 |
0 |
0 |
0.013 |
| Average: |
39.2 |
-1.3 |
0.623 |
0 |
0 |
0 |
0.013 |
| 81 |
82 |
|
[MQ7]M:501 |
4 |
1 |
1155 |
f |
[BCB]L:304 |
x,y,z |
1_555 |
5 |
1 |
1183 |
37.3 |
2.5 |
0.900 |
0 |
0 |
0 |
0.000 |
| 82 |
83 |
|
[HEM]C:340 |
3 |
1 |
837 |
f |
[HEM]C:338 |
x,y,z |
1_555 |
3 |
1 |
789 |
32.4 |
-1.0 |
0.743 |
0 |
0 |
0 |
0.006 |
| 83 |
84 |
|
[BCB]L:302 |
3 |
1 |
1339 |
◊ |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
3 |
1 |
17407 |
31.6 |
0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
| 84 |
85 |
|
[LDA]M:705 |
4 |
1 |
511 |
◊ |
[BCB]L:304 |
x,y,z |
1_555 |
3 |
1 |
1183 |
31.2 |
0.9 |
0.425 |
0 |
0 |
0 |
0.000 |
| 85 |
86 |
|
C |
7 |
2 |
18185 |
◊ |
M |
-y+1/2,x-1/2,z-1/4 |
3_544 |
4 |
1 |
20787 |
30.3 |
-0.6 |
0.519 |
0 |
0 |
0 |
0.000 |
| 86 |
87 |
|
[SO4]H:801 |
3 |
1 |
181 |
f |
[LDA]M:705 |
x,y,z |
1_555 |
2 |
1 |
511 |
28.5 |
-3.6 |
0.311 |
0 |
0 |
0 |
0.038 |
| 87 |
88 |
|
[LDA]L:702 |
2 |
1 |
490 |
f |
[BCB]L:304 |
x,y,z |
1_555 |
4 |
1 |
1183 |
27.1 |
-1.0 |
0.241 |
0 |
0 |
0 |
0.010 |
| 88 |
89 |
|
[BPB]M:401 |
1 |
1 |
1370 |
◊ |
[CEB]L:502 |
x,y,z |
1_555 |
1 |
1 |
456 |
26.7 |
-0.4 |
0.385 |
0 |
0 |
0 |
0.002 |
| 89 |
90 |
|
[LDA]M:705 |
6 |
1 |
511 |
◊ |
[BCB]L:302 |
x,y,z |
1_555 |
3 |
1 |
1339 |
26.1 |
1.2 |
0.458 |
0 |
0 |
0 |
0.000 |
| 90 |
91 |
|
[NS5]M:600 |
6 |
1 |
1094 |
f |
[BCB]M:806 |
x,y,z |
1_555 |
2 |
1 |
1352 |
21.7 |
0.5 |
0.646 |
0 |
0 |
0 |
0.000 |
| 91 |
92 |
|
[SO4]M:802 |
4 |
1 |
181 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
17407 |
18.9 |
-1.5 |
0.913 |
0 |
0 |
0 |
0.011 |
| 92 |
93 |
|
[BCB]L:304 |
1 |
1 |
1183 |
◊ |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
17407 |
16.4 |
-0.5 |
0.196 |
0 |
0 |
0 |
0.000 |
| 93 |
94 |
|
[BPB]L:402 |
1 |
1 |
1330 |
◊ |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
2 |
17407 |
15.4 |
0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
| 94 |
95 |
|
[HEM]C:337 |
2 |
1 |
843 |
◊ |
H |
-y+1/2,x-1/2,z-1/4 |
3_544 |
2 |
1 |
17407 |
11.4 |
-0.3 |
0.647 |
0 |
0 |
0 |
0.000 |
| 95 |
96 |
|
[MQ7]M:501 |
3 |
1 |
1155 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
17407 |
10.3 |
-0.1 |
0.630 |
0 |
0 |
0 |
0.001 |
| 96 |
97 |
|
[SO4]H:801 |
3 |
1 |
181 |
◊ |
H |
-y+1,-x+1,-z+1/2 |
8_665 |
3 |
1 |
17407 |
6.5 |
-0.8 |
0.788 |
0 |
0 |
0 |
0.000 |
| 97 |
98 |
|
[SO4]M:803 |
2 |
1 |
182 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
16838 |
4.7 |
-0.6 |
0.770 |
0 |
0 |
0 |
0.003 |
|