## |
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 |
|
J |
665 |
146 |
32337 |
◊ |
I |
x,y,z |
1_555 |
690 |
146 |
32231 |
6475.5 |
-76.6 |
0.977 |
358 |
0 |
0 |
0.844 |
2 |
2 |
|
B |
234 |
57 |
7057 |
◊ |
A |
x,y,z |
1_555 |
262 |
61 |
8744 |
2547.2 |
-41.7 |
0.047 |
24 |
4 |
0 |
1.000 |
3 |
|
F |
224 |
52 |
6411 |
◊ |
E |
x,y,z |
1_555 |
248 |
59 |
8610 |
2459.4 |
-37.2 |
0.076 |
24 |
8 |
0 |
1.000 |
Average: |
2503.3 |
-39.4 |
0.061 |
24 |
6 |
0 |
1.000 |
3 |
4 |
|
D |
248 |
64 |
8910 |
◊ |
C |
x,y,z |
1_555 |
254 |
60 |
8415 |
2534.4 |
-44.0 |
0.029 |
20 |
5 |
0 |
0.698 |
5 |
|
H |
248 |
62 |
8112 |
◊ |
G |
x,y,z |
1_555 |
242 |
60 |
8706 |
2454.9 |
-43.5 |
0.024 |
20 |
8 |
0 |
0.698 |
Average: |
2494.7 |
-43.7 |
0.026 |
20 |
7 |
0 |
0.698 |
4 |
6 |
|
J |
94 |
17 |
32337 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
8744 |
742.6 |
-6.9 |
0.756 |
12 |
0 |
0 |
0.192 |
5 |
7 |
|
I |
95 |
20 |
32231 |
◊ |
E |
x,y,z |
1_555 |
80 |
23 |
8610 |
740.5 |
-9.9 |
0.670 |
11 |
0 |
0 |
0.502 |
6 |
8 |
|
I |
89 |
18 |
32231 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
8744 |
697.3 |
-11.4 |
0.602 |
14 |
0 |
0 |
0.545 |
7 |
9 |
|
J |
90 |
17 |
32337 |
◊ |
E |
x,y,z |
1_555 |
72 |
20 |
8610 |
696.9 |
-10.6 |
0.626 |
14 |
0 |
0 |
0.433 |
8 |
10 |
|
C |
60 |
16 |
8415 |
◊ |
E |
x,y,z |
1_555 |
65 |
20 |
8610 |
665.4 |
-7.5 |
0.308 |
7 |
0 |
0 |
0.073 |
11 |
|
G |
60 |
16 |
8706 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
8744 |
658.1 |
-7.9 |
0.279 |
7 |
0 |
0 |
0.073 |
Average: |
661.8 |
-7.7 |
0.293 |
7 |
0 |
0 |
0.073 |
9 |
12 |
|
I |
83 |
16 |
32231 |
◊ |
D |
x,y,z |
1_555 |
66 |
19 |
8910 |
640.0 |
-6.4 |
0.698 |
15 |
0 |
0 |
0.278 |
10 |
13 |
|
E |
61 |
14 |
8610 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
8744 |
576.5 |
-11.3 |
0.159 |
3 |
2 |
0 |
1.000 |
11 |
14 |
|
D |
51 |
13 |
8910 |
◊ |
B |
x,y,z |
1_555 |
54 |
12 |
7057 |
517.9 |
-2.3 |
0.596 |
3 |
3 |
0 |
0.040 |
15 |
|
H |
50 |
12 |
8112 |
◊ |
F |
x,y,z |
1_555 |
53 |
12 |
6411 |
479.8 |
-3.0 |
0.594 |
4 |
2 |
0 |
0.040 |
Average: |
498.9 |
-2.6 |
0.595 |
4 |
3 |
0 |
0.040 |
12 |
16 |
|
J |
61 |
11 |
32337 |
◊ |
C |
x,y,z |
1_555 |
45 |
15 |
8415 |
465.7 |
-5.5 |
0.655 |
8 |
0 |
0 |
0.059 |
13 |
17 |
|
I |
53 |
13 |
32231 |
◊ |
G |
x,y,z |
1_555 |
48 |
17 |
8706 |
461.2 |
-8.2 |
0.492 |
8 |
0 |
0 |
0.288 |
14 |
18 |
|
J |
63 |
14 |
32337 |
◊ |
H |
x,y,z |
1_555 |
41 |
15 |
8112 |
460.6 |
-6.5 |
0.625 |
8 |
0 |
0 |
0.053 |
15 |
19 |
|
J |
59 |
12 |
32337 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
8910 |
445.7 |
-4.8 |
0.681 |
5 |
0 |
0 |
0.046 |
16 |
20 |
|
G |
43 |
14 |
8706 |
◊ |
B |
x,y,z |
1_555 |
47 |
12 |
7057 |
402.4 |
-3.8 |
0.374 |
5 |
0 |
0 |
0.045 |
21 |
|
C |
43 |
14 |
8415 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
6411 |
394.9 |
-4.0 |
0.382 |
5 |
0 |
0 |
0.045 |
Average: |
398.7 |
-3.9 |
0.378 |
5 |
0 |
0 |
0.045 |
17 |
22 |
|
I |
47 |
12 |
32231 |
◊ |
C |
x,y,z |
1_555 |
43 |
12 |
8415 |
388.1 |
-2.7 |
0.703 |
5 |
0 |
0 |
0.024 |
18 |
23 |
|
J |
50 |
10 |
32337 |
◊ |
G |
x,y,z |
1_555 |
44 |
13 |
8706 |
382.9 |
-3.8 |
0.668 |
5 |
0 |
0 |
0.032 |
19 |
24 |
|
J |
43 |
7 |
32337 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
7057 |
360.4 |
-6.2 |
0.505 |
6 |
0 |
0 |
0.058 |
20 |
25 |
|
I |
40 |
8 |
32231 |
◊ |
F |
x,y,z |
1_555 |
38 |
14 |
6411 |
334.8 |
-7.6 |
0.434 |
5 |
0 |
0 |
0.114 |
21 |
26 |
|
I |
40 |
7 |
32231 |
◊ |
H |
x,y,z |
1_555 |
36 |
12 |
8112 |
300.2 |
-3.9 |
0.636 |
6 |
0 |
0 |
0.051 |
22 |
27 |
|
H |
35 |
11 |
8112 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
7057 |
269.9 |
-0.7 |
0.668 |
5 |
1 |
0 |
0.036 |
28 |
|
D |
32 |
10 |
8910 |
◊ |
F |
x,y,z |
1_555 |
31 |
7 |
6411 |
266.6 |
-0.7 |
0.674 |
5 |
1 |
0 |
0.036 |
Average: |
268.2 |
-0.7 |
0.671 |
5 |
1 |
0 |
0.036 |
23 |
29 |
|
I |
35 |
9 |
32231 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
7057 |
225.5 |
-1.8 |
0.680 |
2 |
0 |
0 |
0.031 |
24 |
30 |
|
J |
32 |
9 |
32337 |
◊ |
F |
x,y,z |
1_555 |
24 |
10 |
6411 |
218.4 |
-2.5 |
0.637 |
3 |
0 |
0 |
0.042 |
25 |
31 |
|
B |
22 |
6 |
7057 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
7 |
8112 |
214.9 |
1.6 |
0.797 |
3 |
1 |
0 |
0.000 |
26 |
32 |
|
B |
19 |
6 |
7057 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
7 |
8706 |
177.4 |
-0.7 |
0.593 |
1 |
1 |
0 |
0.000 |
27 |
33 |
|
I |
17 |
4 |
32231 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
5 |
8112 |
123.7 |
-1.3 |
0.596 |
2 |
0 |
0 |
0.000 |
28 |
34 |
|
G |
16 |
4 |
8706 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
8415 |
123.5 |
0.2 |
0.690 |
2 |
0 |
0 |
0.002 |
29 |
35 |
|
I |
17 |
3 |
32231 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
22 |
4 |
32337 |
119.0 |
4.5 |
0.922 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
D |
14 |
6 |
8910 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
4 |
32231 |
113.5 |
-2.0 |
0.579 |
2 |
0 |
0 |
0.000 |
31 |
37 |
|
D |
13 |
2 |
8910 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
13 |
2 |
32337 |
100.5 |
-2.9 |
0.427 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
J |
13 |
3 |
32337 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
9 |
3 |
8610 |
98.8 |
-2.6 |
0.444 |
3 |
0 |
0 |
0.000 |
33 |
39 |
|
A |
16 |
5 |
8744 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
8706 |
95.6 |
0.9 |
0.736 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
C |
12 |
4 |
8415 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
8744 |
93.4 |
0.6 |
0.744 |
0 |
0 |
0 |
0.000 |
41 |
|
G |
7 |
5 |
8706 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
8610 |
59.2 |
0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
76.3 |
0.7 |
0.748 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
D |
12 |
3 |
8910 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
32337 |
92.7 |
-3.6 |
0.352 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[SO4]D:1101 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8910 |
83.3 |
-13.4 |
0.693 |
2 |
0 |
0 |
0.303 |
37 |
44 |
|
J |
10 |
1 |
32337 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
1 |
32231 |
73.0 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
A |
8 |
2 |
8744 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
8112 |
67.0 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[SO4]C:1102 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
8910 |
66.9 |
-9.2 |
0.767 |
2 |
0 |
0 |
0.101 |
40 |
47 |
|
[SO4]G:1103 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
8112 |
65.8 |
-8.9 |
0.754 |
2 |
0 |
0 |
0.128 |
41 |
48 |
|
[SO4]C:1102 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8415 |
61.2 |
-9.2 |
0.733 |
3 |
0 |
0 |
0.107 |
42 |
49 |
|
J |
10 |
3 |
32337 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
8112 |
58.5 |
-1.9 |
0.339 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[SO4]G:1103 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
8706 |
58.2 |
-8.6 |
0.724 |
5 |
0 |
0 |
0.266 |
44 |
51 |
|
D |
6 |
2 |
8910 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8706 |
57.8 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
5 |
2 |
8112 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8415 |
55.2 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
Average: |
56.5 |
-0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[MN]J:1013 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32337 |
55.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.105 |
46 |
54 |
|
[MN]I:1003 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32231 |
53.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.138 |
47 |
55 |
|
[MN]I:1005 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32231 |
53.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.128 |
48 |
56 |
|
[MN]J:1010 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32337 |
52.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.095 |
49 |
57 |
|
[SO4]D:1101 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
8415 |
51.3 |
-4.6 |
0.959 |
1 |
0 |
0 |
0.051 |
50 |
58 |
|
[MN]I:1006 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32231 |
51.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.109 |
51 |
59 |
|
[MN]J:1009 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32337 |
50.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.092 |
52 |
60 |
|
[MN]A:1001 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8744 |
50.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[MN]I:1004 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
6 |
3 |
32231 |
49.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.124 |
54 |
62 |
|
[MN]J:1012 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32337 |
47.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.086 |
55 |
63 |
|
[MN]J:1008 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
2 |
32337 |
46.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
56 |
64 |
|
[MN]D:1007 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
8910 |
45.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.100 |
65 |
|
[MN]A:1001 |
1 |
1 |
123 |
f |
H |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
8112 |
35.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
40.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.100 |
57 |
66 |
|
[MN]J:1002 |
1 |
1 |
123 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
9 |
3 |
8610 |
45.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
67 |
|
[MN]J:1011 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32337 |
44.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.062 |
59 |
68 |
|
[MN]J:1002 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
32337 |
39.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.076 |
60 |
69 |
|
J |
7 |
1 |
32337 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
6 |
1 |
32337 |
38.1 |
0.4 |
0.647 |
1 |
0 |
0 |
0.000 |
61 |
70 |
|
[MN]J:1008 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
32231 |
37.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
62 |
71 |
|
I |
5 |
1 |
32231 |
x |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
6 |
1 |
32231 |
33.0 |
0.3 |
0.625 |
0 |
0 |
0 |
0.000 |
63 |
72 |
|
J |
6 |
2 |
32337 |
x |
J |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
32337 |
32.6 |
-0.6 |
0.526 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
J |
4 |
2 |
32337 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
2 |
32337 |
27.9 |
-2.8 |
0.205 |
0 |
0 |
0 |
0.000 |
65 |
74 |
|
[MN]D:1007 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8415 |
25.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
75 |
|
[MN]A:1001 |
1 |
1 |
123 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8706 |
16.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
21.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
66 |
76 |
|
[SO4]G:1103 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
32231 |
23.6 |
-3.5 |
0.508 |
0 |
0 |
0 |
0.086 |
67 |
77 |
|
[MN]J:1010 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
32231 |
21.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
68 |
78 |
|
[SO4]C:1102 |
3 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32337 |
17.7 |
-2.8 |
0.391 |
0 |
0 |
0 |
0.018 |
69 |
79 |
|
[MN]I:1004 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
32337 |
17.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
70 |
80 |
|
[MN]J:1011 |
1 |
1 |
123 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
32231 |
16.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
81 |
|
I |
2 |
1 |
32231 |
◊ |
J |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
32337 |
15.1 |
-1.1 |
0.401 |
0 |
0 |
0 |
0.000 |
72 |
82 |
|
I |
2 |
1 |
32231 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
2 |
32337 |
14.5 |
-0.7 |
0.323 |
0 |
0 |
0 |
0.000 |
73 |
83 |
|
[MN]A:1001 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7057 |
14.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
84 |
|
[MN]I:1005 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32337 |
13.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
75 |
85 |
|
[MN]J:1012 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32231 |
13.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
76 |
86 |
|
I |
3 |
1 |
32231 |
◊ |
[MN]I:1005 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
123 |
12.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
87 |
|
[MN]J:1002 |
1 |
1 |
123 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
32231 |
12.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
88 |
|
[SO4]D:1101 |
1 |
1 |
187 |
f |
[MN]D:1007 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.040 |
79 |
89 |
|
[MN]J:1013 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
3 |
32231 |
10.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
80 |
90 |
|
[MN]I:1003 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8910 |
5.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
81 |
91 |
|
[MN]I:1003 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32337 |
5.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
82 |
92 |
|
I |
2 |
2 |
32231 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
8706 |
4.7 |
-0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
83 |
93 |
|
[MN]J:1009 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32231 |
4.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
84 |
94 |
|
[MN]J:1002 |
1 |
1 |
123 |
◊ |
F |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
6411 |
2.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
95 |
|
[MN]I:1006 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32337 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
96 |
|
H |
1 |
1 |
8112 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8910 |
1.8 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
87 |
97 |
|
G |
1 |
1 |
8706 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6411 |
0.4 |
0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
88 |
98 |
|
I |
1 |
1 |
32231 |
◊ |
E |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
8610 |
0.3 |
-0.0 |
0.460 |
0 |
0 |
0 |
0.000 |
|