| ## |
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 |
|
E |
121 |
32 |
5949 |
◊ |
C |
x,y,z |
1_555 |
128 |
38 |
6003 |
1332.9 |
-23.4 |
0.132 |
2 |
6 |
0 |
0.745 |
2 |
|
J |
108 |
29 |
5994 |
◊ |
I |
x,y,z |
1_555 |
135 |
35 |
6289 |
1284.6 |
-25.8 |
0.089 |
3 |
2 |
0 |
0.745 |
3 |
|
F |
109 |
29 |
5869 |
◊ |
E |
x,y,z |
1_555 |
118 |
35 |
5949 |
1220.7 |
-24.3 |
0.101 |
4 |
6 |
0 |
0.745 |
4 |
|
K |
105 |
29 |
5970 |
◊ |
J |
x,y,z |
1_555 |
106 |
33 |
5994 |
1163.5 |
-19.3 |
0.210 |
6 |
5 |
0 |
0.745 |
5 |
|
C |
100 |
27 |
6003 |
◊ |
B |
x,y,z |
1_555 |
117 |
34 |
6009 |
1155.9 |
-24.5 |
0.060 |
2 |
4 |
0 |
0.745 |
6 |
|
G |
115 |
34 |
5826 |
◊ |
A |
x,y,z |
1_555 |
112 |
30 |
5848 |
1152.5 |
-20.6 |
0.154 |
6 |
9 |
0 |
0.745 |
7 |
|
I |
99 |
30 |
6289 |
◊ |
H |
x,y,z |
1_555 |
115 |
33 |
6148 |
1151.6 |
-26.3 |
0.040 |
0 |
2 |
0 |
0.745 |
8 |
|
B |
105 |
31 |
6009 |
◊ |
A |
x,y,z |
1_555 |
106 |
32 |
5848 |
1149.3 |
-21.1 |
0.118 |
3 |
5 |
0 |
0.745 |
9 |
|
H |
97 |
27 |
6148 |
◊ |
D |
x,y,z |
1_555 |
102 |
34 |
5910 |
1092.2 |
-20.0 |
0.112 |
4 |
4 |
0 |
0.745 |
10 |
|
L |
110 |
32 |
5932 |
◊ |
D |
x,y,z |
1_555 |
99 |
27 |
5910 |
1070.4 |
-23.9 |
0.059 |
1 |
2 |
0 |
0.745 |
| Average: |
1177.4 |
-22.9 |
0.108 |
3 |
5 |
0 |
0.745 |
| 2 |
11 |
|
G |
104 |
27 |
5826 |
◊ |
F |
x,y,z |
1_555 |
112 |
35 |
5869 |
1114.2 |
-25.0 |
0.059 |
2 |
2 |
0 |
0.155 |
12 |
|
L |
101 |
30 |
5932 |
◊ |
K |
x,y,z |
1_555 |
105 |
31 |
5970 |
1059.1 |
-24.4 |
0.065 |
2 |
0 |
0 |
0.155 |
| Average: |
1086.6 |
-24.7 |
0.062 |
2 |
1 |
0 |
0.155 |
| 3 |
13 |
|
L |
34 |
9 |
5932 |
◊ |
I |
x-1,y,z |
1_455 |
29 |
8 |
6289 |
281.0 |
-0.9 |
0.780 |
0 |
0 |
0 |
0.000 |
14 |
|
G |
24 |
5 |
5826 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
4 |
6003 |
192.2 |
-1.4 |
0.612 |
1 |
2 |
0 |
0.000 |
| Average: |
236.6 |
-1.1 |
0.696 |
1 |
1 |
0 |
0.000 |
| 4 |
15 |
|
H |
29 |
7 |
6148 |
◊ |
F |
x,y,z |
1_555 |
36 |
7 |
5869 |
263.5 |
1.8 |
0.900 |
1 |
1 |
0 |
0.000 |
16 |
|
J |
31 |
9 |
5994 |
◊ |
A |
x,y,z-1 |
1_554 |
33 |
8 |
5848 |
246.8 |
-1.0 |
0.733 |
1 |
3 |
0 |
0.000 |
17 |
|
D |
27 |
7 |
5910 |
◊ |
E |
x-1,y,z |
1_455 |
26 |
6 |
5949 |
217.7 |
0.0 |
0.788 |
0 |
2 |
0 |
0.000 |
18 |
|
K |
30 |
8 |
5970 |
◊ |
B |
x-1,y,z-1 |
1_454 |
29 |
8 |
6009 |
196.1 |
-0.4 |
0.780 |
1 |
2 |
0 |
0.000 |
| Average: |
231.0 |
0.1 |
0.800 |
1 |
2 |
0 |
0.000 |
| 5 |
19 |
|
I |
21 |
6 |
6289 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
6 |
5848 |
212.5 |
0.9 |
0.843 |
2 |
3 |
0 |
0.000 |
20 |
|
F |
17 |
6 |
5869 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
5910 |
158.9 |
1.3 |
0.858 |
1 |
3 |
0 |
0.000 |
21 |
|
L |
23 |
6 |
5932 |
◊ |
E |
x-1,y,z |
1_455 |
15 |
6 |
5949 |
148.7 |
-1.5 |
0.624 |
0 |
1 |
0 |
0.000 |
22 |
|
J |
11 |
4 |
5994 |
◊ |
B |
x-1,y,z-1 |
1_454 |
13 |
4 |
6009 |
71.2 |
-0.6 |
0.659 |
0 |
0 |
0 |
0.000 |
| Average: |
147.8 |
0.0 |
0.746 |
1 |
2 |
0 |
0.000 |
| 6 |
23 |
|
L |
30 |
7 |
5932 |
◊ |
H |
x-1,y,z |
1_455 |
21 |
5 |
6148 |
179.5 |
0.4 |
0.824 |
1 |
1 |
0 |
0.000 |
24 |
|
K |
13 |
4 |
5970 |
◊ |
I |
x-1,y,z |
1_455 |
19 |
5 |
6289 |
144.9 |
2.4 |
0.878 |
1 |
3 |
0 |
0.000 |
25 |
|
G |
20 |
4 |
5826 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
4 |
6009 |
140.2 |
2.0 |
0.840 |
1 |
1 |
0 |
0.000 |
26 |
|
F |
16 |
4 |
5869 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
3 |
6003 |
88.9 |
1.0 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
138.4 |
1.4 |
0.824 |
1 |
1 |
0 |
0.000 |
| 7 |
27 |
|
K |
12 |
3 |
5970 |
◊ |
A |
x-1,y,z-1 |
1_454 |
13 |
4 |
5848 |
134.8 |
-0.3 |
0.706 |
0 |
2 |
0 |
0.000 |
28 |
|
D |
12 |
3 |
5910 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
4 |
6003 |
123.7 |
0.2 |
0.712 |
0 |
0 |
0 |
0.000 |
| Average: |
129.2 |
-0.1 |
0.709 |
0 |
1 |
0 |
0.000 |
| 8 |
29 |
|
J |
14 |
5 |
5994 |
◊ |
K |
x,y-1,z |
1_545 |
12 |
4 |
5970 |
127.0 |
1.1 |
0.835 |
1 |
0 |
0 |
0.000 |
30 |
|
H |
8 |
3 |
6148 |
◊ |
I |
x,y-1,z |
1_545 |
7 |
3 |
6289 |
100.2 |
1.2 |
0.846 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
10 |
2 |
5910 |
◊ |
H |
x,y-1,z |
1_545 |
9 |
2 |
6148 |
77.0 |
-0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
32 |
|
L |
6 |
2 |
5932 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
2 |
5910 |
72.1 |
-0.1 |
0.628 |
1 |
1 |
0 |
0.000 |
33 |
|
E |
6 |
2 |
5949 |
◊ |
F |
x,y-1,z |
1_545 |
8 |
3 |
5869 |
69.3 |
0.3 |
0.770 |
0 |
0 |
0 |
0.000 |
34 |
|
I |
6 |
3 |
6289 |
◊ |
J |
x,y-1,z |
1_545 |
4 |
3 |
5994 |
32.8 |
0.8 |
0.829 |
0 |
0 |
0 |
0.000 |
35 |
|
G |
1 |
1 |
5826 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
5848 |
17.2 |
-0.0 |
0.425 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
2 |
2 |
6003 |
◊ |
E |
x,y-1,z |
1_545 |
2 |
2 |
5949 |
14.4 |
0.7 |
0.861 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
1 |
1 |
5869 |
◊ |
G |
x,y-1,z |
1_545 |
1 |
1 |
5826 |
3.2 |
0.1 |
0.822 |
0 |
0 |
0 |
0.000 |
38 |
|
K |
1 |
1 |
5970 |
◊ |
L |
x,y-1,z |
1_545 |
1 |
1 |
5932 |
2.6 |
0.1 |
0.797 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
1 |
1 |
6009 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
6003 |
1.6 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
| Average: |
47.0 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
| 9 |
40 |
|
Q |
10 |
3 |
398 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
6148 |
116.9 |
-2.0 |
0.544 |
0 |
0 |
0 |
0.100 |
| 10 |
41 |
|
G |
12 |
3 |
5826 |
◊ |
E |
x-1,y,z |
1_455 |
13 |
3 |
5949 |
115.8 |
1.4 |
0.850 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
14 |
3 |
5848 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
3 |
6003 |
91.1 |
2.1 |
0.855 |
0 |
0 |
0 |
0.000 |
43 |
|
L |
5 |
1 |
5932 |
◊ |
J |
x-1,y,z |
1_455 |
3 |
1 |
5994 |
33.8 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
4 |
2 |
5910 |
◊ |
I |
x-1,y,z |
1_455 |
3 |
1 |
6289 |
16.6 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
| Average: |
64.3 |
0.9 |
0.782 |
0 |
0 |
0 |
0.000 |
| 11 |
45 |
|
R |
10 |
3 |
539 |
◊ |
J |
x,y,z |
1_555 |
16 |
5 |
5994 |
113.9 |
-1.0 |
0.693 |
1 |
0 |
0 |
0.000 |
| 12 |
46 |
|
Q |
9 |
3 |
398 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
5910 |
109.7 |
-0.8 |
0.673 |
1 |
0 |
0 |
0.006 |
| 13 |
47 |
|
[SO4]J:101 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
11 |
3 |
5994 |
82.2 |
-11.2 |
0.796 |
1 |
0 |
0 |
0.084 |
| 14 |
48 |
|
H |
9 |
3 |
6148 |
◊ |
G |
x,y,z |
1_555 |
10 |
3 |
5826 |
74.9 |
0.7 |
0.789 |
2 |
3 |
0 |
0.000 |
49 |
|
K |
10 |
3 |
5970 |
◊ |
C |
x-1,y,z-1 |
1_454 |
10 |
4 |
6003 |
74.4 |
0.0 |
0.721 |
1 |
0 |
0 |
0.000 |
50 |
|
D |
9 |
3 |
5910 |
◊ |
F |
x-1,y,z |
1_455 |
13 |
3 |
5869 |
70.4 |
0.7 |
0.766 |
0 |
0 |
0 |
0.000 |
51 |
|
J |
11 |
5 |
5994 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
5 |
6009 |
44.8 |
0.7 |
0.773 |
0 |
0 |
0 |
0.000 |
| Average: |
66.1 |
0.5 |
0.762 |
1 |
1 |
0 |
0.000 |
| 15 |
52 |
|
H |
8 |
2 |
6148 |
◊ |
R |
x,y-1,z |
1_545 |
8 |
4 |
539 |
69.6 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
| 16 |
53 |
|
J |
7 |
3 |
5994 |
◊ |
G |
x,y,z-1 |
1_554 |
7 |
3 |
5826 |
68.5 |
0.2 |
0.733 |
0 |
0 |
0 |
0.000 |
54 |
|
H |
8 |
3 |
6148 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
5949 |
39.3 |
0.7 |
0.808 |
0 |
0 |
0 |
0.000 |
| Average: |
53.9 |
0.5 |
0.770 |
0 |
0 |
0 |
0.000 |
| 17 |
55 |
|
F |
5 |
2 |
5869 |
◊ |
H |
x,y-1,z |
1_545 |
6 |
2 |
6148 |
56.3 |
0.3 |
0.529 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
4 |
1 |
5848 |
◊ |
J |
x,y-1,z+1 |
1_546 |
4 |
2 |
5994 |
36.6 |
1.4 |
0.871 |
0 |
0 |
0 |
0.000 |
57 |
|
D |
3 |
2 |
5910 |
◊ |
E |
x-1,y+1,z |
1_465 |
4 |
2 |
5949 |
18.4 |
0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
| Average: |
37.1 |
0.7 |
0.733 |
0 |
0 |
0 |
0.000 |
| 18 |
58 |
|
H |
7 |
2 |
6148 |
◊ |
J |
x,y-1,z |
1_545 |
5 |
2 |
5994 |
56.0 |
0.9 |
0.817 |
1 |
0 |
0 |
0.000 |
59 |
|
G |
3 |
1 |
5826 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
6009 |
37.4 |
0.1 |
0.623 |
1 |
0 |
0 |
0.000 |
60 |
|
B |
1 |
1 |
6009 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
1 |
5949 |
11.9 |
-0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
61 |
|
I |
4 |
3 |
6289 |
◊ |
K |
x,y-1,z |
1_545 |
3 |
1 |
5970 |
9.9 |
-0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
2 |
1 |
5910 |
◊ |
I |
x,y-1,z |
1_545 |
2 |
1 |
6289 |
9.6 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
| Average: |
25.0 |
0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
| 19 |
63 |
|
K |
5 |
2 |
5970 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
3 |
5848 |
54.2 |
1.5 |
0.890 |
0 |
1 |
0 |
0.000 |
64 |
|
L |
3 |
2 |
5932 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
1 |
6009 |
19.2 |
0.9 |
0.900 |
0 |
0 |
0 |
0.000 |
65 |
|
I |
1 |
1 |
6289 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
5869 |
17.8 |
0.5 |
0.862 |
0 |
0 |
0 |
0.000 |
66 |
|
H |
2 |
1 |
6148 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
5949 |
11.5 |
0.8 |
0.908 |
0 |
0 |
0 |
0.000 |
| Average: |
25.7 |
0.9 |
0.890 |
0 |
0 |
0 |
0.000 |
| 20 |
67 |
|
G |
7 |
3 |
5826 |
◊ |
K |
x,y-1,z+1 |
1_546 |
8 |
2 |
5970 |
42.7 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
68 |
|
L |
6 |
2 |
5932 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
8 |
4 |
5848 |
42.0 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
69 |
|
E |
6 |
2 |
5949 |
◊ |
I |
x,y-1,z |
1_545 |
5 |
2 |
6289 |
34.4 |
-0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
| Average: |
39.7 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
| 21 |
70 |
|
L |
4 |
1 |
5932 |
◊ |
Q |
x,y-1,z |
1_545 |
3 |
1 |
398 |
41.7 |
0.8 |
0.853 |
2 |
0 |
0 |
0.000 |
| 22 |
71 |
|
C |
7 |
3 |
6003 |
f |
[SO4]F:101 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
34.4 |
-4.1 |
0.845 |
0 |
0 |
0 |
0.100 |
| 23 |
72 |
|
[SO4]H:101 |
3 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
3 |
2 |
6289 |
31.0 |
-4.2 |
0.637 |
0 |
0 |
0 |
0.100 |
| 24 |
73 |
|
[SO4]F:101 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
5869 |
30.9 |
-2.7 |
0.966 |
1 |
0 |
0 |
0.000 |
| 25 |
74 |
|
[SO4]H:101 |
3 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
5970 |
30.4 |
-4.0 |
0.641 |
0 |
0 |
0 |
0.021 |
| 26 |
75 |
|
[SO4]F:101 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
5949 |
29.6 |
-3.4 |
0.871 |
0 |
0 |
0 |
0.000 |
| 27 |
76 |
|
[SO4]H:101 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
5994 |
26.7 |
-3.1 |
0.490 |
0 |
0 |
0 |
0.016 |
| 28 |
77 |
|
[SO4]H:101 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
6148 |
25.8 |
-3.2 |
0.506 |
0 |
0 |
0 |
0.017 |
| 29 |
78 |
|
[SO4]B:101 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
6009 |
24.6 |
-3.4 |
0.526 |
0 |
0 |
0 |
0.100 |
| 30 |
79 |
|
[SO4]I:101 |
3 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
6289 |
22.5 |
-1.6 |
0.972 |
1 |
0 |
0 |
0.011 |
| 31 |
80 |
|
[SO4]J:101 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
4 |
3 |
5970 |
22.1 |
-2.2 |
0.893 |
0 |
0 |
0 |
0.012 |
| 32 |
81 |
|
H |
5 |
2 |
6148 |
◊ |
C |
x-1,y+1,z |
1_465 |
3 |
1 |
6003 |
21.7 |
0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
| 33 |
82 |
|
I |
2 |
1 |
6289 |
◊ |
R |
x,y-1,z |
1_545 |
2 |
1 |
539 |
21.7 |
0.5 |
0.758 |
0 |
0 |
0 |
0.000 |
| 34 |
83 |
|
[SO4]B:101 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
5848 |
21.5 |
-2.8 |
0.651 |
0 |
0 |
0 |
0.016 |
| 35 |
84 |
|
[SO4]H:101 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5910 |
20.2 |
-2.7 |
0.557 |
0 |
0 |
0 |
0.014 |
| 36 |
85 |
|
[SO4]I:101 |
3 |
1 |
183 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
5970 |
18.2 |
-1.7 |
0.926 |
0 |
0 |
0 |
0.009 |
| 37 |
86 |
|
[SO4]B:101 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6003 |
17.8 |
-2.2 |
0.434 |
0 |
0 |
0 |
0.013 |
| 38 |
87 |
|
[SO4]I:101 |
1 |
1 |
183 |
f |
J |
x,y,z |
1_555 |
2 |
1 |
5994 |
16.0 |
-2.2 |
0.561 |
0 |
0 |
0 |
0.016 |
| 39 |
88 |
|
[SO4]H:101 |
4 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
5932 |
15.8 |
-1.8 |
0.606 |
0 |
0 |
0 |
0.009 |
| 40 |
89 |
|
J |
1 |
1 |
5994 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6148 |
15.8 |
-0.5 |
0.215 |
0 |
0 |
0 |
0.008 |
90 |
|
K |
3 |
2 |
5970 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
6289 |
12.4 |
-0.4 |
0.475 |
0 |
0 |
0 |
0.008 |
91 |
|
G |
1 |
1 |
5826 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
5949 |
7.4 |
-0.2 |
0.355 |
0 |
0 |
0 |
0.008 |
92 |
|
K |
2 |
2 |
5970 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
5910 |
6.8 |
-0.2 |
0.542 |
0 |
0 |
0 |
0.008 |
93 |
|
L |
1 |
1 |
5932 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6148 |
4.9 |
-0.2 |
0.409 |
0 |
0 |
0 |
0.008 |
94 |
|
I |
1 |
1 |
6289 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5910 |
4.8 |
-0.2 |
0.435 |
0 |
0 |
0 |
0.008 |
95 |
|
L |
1 |
1 |
5932 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
5994 |
4.4 |
-0.1 |
0.495 |
0 |
0 |
0 |
0.008 |
96 |
|
F |
1 |
1 |
5869 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5848 |
3.4 |
-0.1 |
0.465 |
0 |
0 |
0 |
0.008 |
97 |
|
E |
1 |
1 |
5949 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6009 |
0.8 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.008 |
| Average: |
6.7 |
-0.2 |
0.443 |
0 |
0 |
0 |
0.008 |
| 41 |
98 |
|
[SO4]B:101 |
1 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
5949 |
14.4 |
-2.0 |
0.593 |
0 |
0 |
0 |
0.012 |
| 42 |
99 |
|
[SO4]B:101 |
2 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
5826 |
11.5 |
-1.5 |
0.677 |
0 |
0 |
0 |
0.009 |
| 43 |
100 |
|
[SO4]I:101 |
1 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6148 |
9.4 |
-0.8 |
0.857 |
0 |
0 |
0 |
0.004 |
| 44 |
101 |
|
R |
2 |
1 |
539 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
6289 |
5.6 |
-0.2 |
0.483 |
0 |
0 |
0 |
0.000 |
| 45 |
102 |
|
[SO4]B:101 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5869 |
4.7 |
-0.4 |
0.664 |
0 |
0 |
0 |
0.002 |
| 46 |
103 |
|
I |
1 |
1 |
6289 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
6009 |
4.0 |
0.3 |
0.866 |
0 |
0 |
0 |
0.000 |
104 |
|
L |
1 |
1 |
5932 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
5869 |
0.3 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
| Average: |
2.2 |
0.2 |
0.785 |
0 |
0 |
0 |
0.000 |
| 47 |
105 |
|
[SO4]I:101 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5910 |
1.1 |
-0.1 |
0.888 |
0 |
0 |
0 |
0.000 |
|