## |
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 |
|
H |
448 |
112 |
21632 |
◊ |
G |
x,y,z |
1_555 |
417 |
102 |
36748 |
4179.8 |
-55.9 |
0.027 |
17 |
10 |
0 |
0.488 |
2 |
|
N |
448 |
113 |
21641 |
◊ |
M |
x,y,z |
1_555 |
418 |
103 |
36770 |
4179.3 |
-55.9 |
0.027 |
17 |
10 |
0 |
0.488 |
3 |
|
Q |
446 |
113 |
21622 |
◊ |
P |
x,y,z |
1_555 |
422 |
104 |
36790 |
4173.8 |
-56.4 |
0.025 |
16 |
11 |
0 |
0.488 |
4 |
|
B |
446 |
112 |
21639 |
◊ |
A |
x,y,z |
1_555 |
421 |
103 |
36794 |
4173.1 |
-56.2 |
0.026 |
18 |
10 |
0 |
0.488 |
5 |
|
E |
446 |
111 |
21632 |
◊ |
D |
x,y,z |
1_555 |
420 |
103 |
36800 |
4171.7 |
-56.3 |
0.026 |
19 |
10 |
0 |
0.488 |
6 |
|
K |
447 |
113 |
21600 |
◊ |
J |
x,y,z |
1_555 |
416 |
103 |
36789 |
4168.6 |
-55.6 |
0.027 |
17 |
10 |
0 |
0.488 |
Average: |
4174.4 |
-56.1 |
0.026 |
17 |
10 |
0 |
0.488 |
2 |
7 |
|
R |
356 |
94 |
22196 |
◊ |
P |
x,y,z |
1_555 |
364 |
97 |
36790 |
3442.3 |
-44.3 |
0.074 |
28 |
6 |
0 |
0.481 |
8 |
|
C |
362 |
95 |
22225 |
◊ |
A |
x,y,z |
1_555 |
366 |
97 |
36794 |
3442.1 |
-44.4 |
0.078 |
28 |
6 |
0 |
0.481 |
9 |
|
F |
362 |
95 |
22222 |
◊ |
D |
x,y,z |
1_555 |
363 |
95 |
36800 |
3441.9 |
-44.4 |
0.076 |
28 |
6 |
0 |
0.481 |
10 |
|
O |
356 |
94 |
22207 |
◊ |
M |
x,y,z |
1_555 |
363 |
97 |
36770 |
3436.4 |
-44.3 |
0.073 |
28 |
6 |
0 |
0.481 |
11 |
|
I |
360 |
95 |
22207 |
◊ |
G |
x,y,z |
1_555 |
363 |
95 |
36748 |
3436.4 |
-44.3 |
0.077 |
28 |
6 |
0 |
0.481 |
12 |
|
L |
359 |
94 |
22193 |
◊ |
J |
x,y,z |
1_555 |
364 |
97 |
36789 |
3436.1 |
-44.2 |
0.078 |
28 |
6 |
0 |
0.481 |
Average: |
3439.2 |
-44.3 |
0.076 |
28 |
6 |
0 |
0.481 |
3 |
13 |
|
I |
157 |
42 |
22207 |
◊ |
H |
x,y,z |
1_555 |
168 |
43 |
21632 |
1606.5 |
-22.9 |
0.066 |
8 |
0 |
0 |
0.540 |
14 |
|
F |
157 |
42 |
22222 |
◊ |
E |
x,y,z |
1_555 |
169 |
43 |
21632 |
1605.1 |
-23.0 |
0.066 |
8 |
0 |
0 |
0.540 |
15 |
|
O |
157 |
42 |
22207 |
◊ |
N |
x,y,z |
1_555 |
168 |
43 |
21641 |
1601.0 |
-23.0 |
0.064 |
8 |
0 |
0 |
0.540 |
16 |
|
R |
155 |
42 |
22196 |
◊ |
Q |
x,y,z |
1_555 |
171 |
43 |
21622 |
1600.6 |
-22.8 |
0.071 |
8 |
0 |
0 |
0.540 |
17 |
|
C |
157 |
42 |
22225 |
◊ |
B |
x,y,z |
1_555 |
171 |
43 |
21639 |
1599.7 |
-22.9 |
0.071 |
8 |
0 |
0 |
0.540 |
18 |
|
L |
156 |
42 |
22193 |
◊ |
K |
x,y,z |
1_555 |
167 |
43 |
21600 |
1598.1 |
-22.9 |
0.062 |
8 |
0 |
0 |
0.540 |
Average: |
1601.9 |
-22.9 |
0.067 |
8 |
0 |
0 |
0.540 |
4 |
19 |
|
A |
70 |
20 |
36794 |
x |
A |
x-1,y+1,z |
1_465 |
87 |
20 |
36794 |
703.0 |
-2.3 |
0.739 |
4 |
3 |
0 |
0.000 |
20 |
|
D |
86 |
20 |
36800 |
x |
D |
x-1,y+1,z |
1_465 |
70 |
20 |
36800 |
700.8 |
-2.5 |
0.727 |
4 |
3 |
0 |
0.000 |
21 |
|
J |
85 |
20 |
36789 |
x |
J |
x,y-1,z |
1_545 |
70 |
19 |
36789 |
699.2 |
-2.3 |
0.737 |
4 |
3 |
0 |
0.000 |
22 |
|
M |
71 |
20 |
36770 |
x |
M |
x-1,y,z |
1_455 |
85 |
20 |
36770 |
699.0 |
-2.3 |
0.734 |
4 |
3 |
0 |
0.000 |
23 |
|
G |
87 |
20 |
36748 |
x |
G |
x-1,y,z |
1_455 |
71 |
20 |
36748 |
698.8 |
-2.3 |
0.737 |
4 |
3 |
0 |
0.000 |
24 |
|
P |
71 |
20 |
36790 |
x |
P |
x,y-1,z |
1_545 |
87 |
20 |
36790 |
695.1 |
-2.3 |
0.736 |
4 |
3 |
0 |
0.000 |
Average: |
699.3 |
-2.3 |
0.735 |
4 |
3 |
0 |
0.000 |
5 |
25 |
|
L |
29 |
6 |
22193 |
◊ |
A |
x,y,z |
1_555 |
31 |
9 |
36794 |
296.0 |
-5.5 |
0.158 |
0 |
1 |
0 |
0.000 |
26 |
|
C |
30 |
6 |
22225 |
◊ |
M |
x,y,z |
1_555 |
31 |
9 |
36770 |
295.9 |
-5.5 |
0.164 |
0 |
2 |
0 |
0.000 |
27 |
|
O |
29 |
6 |
22207 |
◊ |
P |
x,y,z |
1_555 |
31 |
9 |
36790 |
295.7 |
-5.5 |
0.155 |
0 |
2 |
0 |
0.000 |
28 |
|
F |
30 |
6 |
22222 |
◊ |
G |
x,y,z |
1_555 |
31 |
9 |
36748 |
295.0 |
-5.5 |
0.163 |
0 |
1 |
0 |
0.000 |
29 |
|
R |
31 |
6 |
22196 |
◊ |
D |
x,y,z-1 |
1_554 |
31 |
9 |
36800 |
294.9 |
-5.5 |
0.172 |
0 |
1 |
0 |
0.000 |
30 |
|
I |
29 |
6 |
22207 |
◊ |
J |
x,y,z |
1_555 |
31 |
9 |
36789 |
294.8 |
-5.5 |
0.158 |
0 |
2 |
0 |
0.000 |
Average: |
295.4 |
-5.5 |
0.161 |
0 |
2 |
0 |
0.000 |
6 |
31 |
|
O |
14 |
5 |
22207 |
◊ |
Q |
x,y,z |
1_555 |
12 |
4 |
21622 |
121.2 |
2.4 |
0.851 |
2 |
3 |
0 |
0.000 |
32 |
|
F |
12 |
4 |
22222 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
21632 |
120.8 |
2.5 |
0.854 |
2 |
3 |
0 |
0.000 |
33 |
|
L |
13 |
4 |
22193 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
21639 |
120.8 |
2.3 |
0.847 |
2 |
3 |
0 |
0.000 |
34 |
|
C |
13 |
5 |
22225 |
◊ |
N |
x,y,z |
1_555 |
12 |
4 |
21641 |
120.8 |
2.3 |
0.851 |
2 |
3 |
0 |
0.000 |
35 |
|
I |
13 |
4 |
22207 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
21600 |
120.7 |
1.4 |
0.817 |
2 |
3 |
0 |
0.000 |
36 |
|
R |
13 |
4 |
22196 |
◊ |
E |
x,y,z-1 |
1_554 |
12 |
4 |
21632 |
120.0 |
2.3 |
0.850 |
2 |
3 |
0 |
0.000 |
Average: |
120.7 |
2.2 |
0.845 |
2 |
3 |
0 |
0.000 |
7 |
37 |
|
J |
11 |
3 |
36789 |
◊ |
L |
x-1,y,z |
1_455 |
12 |
4 |
22193 |
105.5 |
-0.3 |
0.632 |
0 |
0 |
0 |
0.000 |
38 |
|
R |
12 |
4 |
22196 |
◊ |
P |
x-1,y,z |
1_455 |
11 |
3 |
36790 |
105.1 |
-0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
39 |
|
F |
12 |
4 |
22222 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
3 |
36800 |
104.5 |
-0.3 |
0.635 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
11 |
3 |
36794 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
4 |
22225 |
104.2 |
-0.3 |
0.634 |
0 |
0 |
0 |
0.000 |
41 |
|
G |
11 |
3 |
36748 |
◊ |
I |
x-1,y+1,z |
1_465 |
12 |
4 |
22207 |
103.3 |
-0.3 |
0.633 |
0 |
0 |
0 |
0.000 |
42 |
|
O |
13 |
4 |
22207 |
◊ |
M |
x-1,y+1,z |
1_465 |
11 |
3 |
36770 |
102.9 |
-0.3 |
0.635 |
0 |
0 |
0 |
0.000 |
Average: |
104.3 |
-0.3 |
0.633 |
0 |
0 |
0 |
0.000 |
8 |
43 |
|
[SO4]A:1003 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
36794 |
83.2 |
-11.3 |
0.925 |
2 |
0 |
0 |
0.101 |
44 |
|
[SO4]P:1003 |
5 |
1 |
185 |
f |
P |
x,y,z |
1_555 |
11 |
3 |
36790 |
82.1 |
-11.0 |
0.926 |
2 |
0 |
0 |
0.101 |
45 |
|
[SO4]G:902 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
36748 |
81.9 |
-11.0 |
0.926 |
2 |
0 |
0 |
0.101 |
46 |
|
[SO4]M:1003 |
5 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
11 |
3 |
36770 |
81.8 |
-11.0 |
0.926 |
2 |
0 |
0 |
0.101 |
47 |
|
[SO4]J:1002 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
11 |
3 |
36789 |
81.7 |
-11.1 |
0.924 |
2 |
0 |
0 |
0.101 |
48 |
|
[SO4]D:1003 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
36800 |
81.6 |
-11.1 |
0.923 |
2 |
0 |
0 |
0.101 |
Average: |
82.0 |
-11.1 |
0.925 |
2 |
0 |
0 |
0.101 |
9 |
49 |
|
[SO4]A:1002 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
36794 |
74.1 |
-8.8 |
0.925 |
2 |
0 |
0 |
0.080 |
50 |
|
[SO4]D:1002 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
36800 |
73.4 |
-8.8 |
0.923 |
2 |
0 |
0 |
0.080 |
Average: |
73.8 |
-8.8 |
0.924 |
2 |
0 |
0 |
0.080 |
10 |
51 |
|
[SO4]P:1002 |
4 |
1 |
185 |
f |
P |
x,y,z |
1_555 |
12 |
6 |
36790 |
72.8 |
-8.5 |
0.924 |
2 |
0 |
0 |
0.078 |
11 |
52 |
|
[SO4]M:1002 |
4 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
13 |
6 |
36770 |
72.7 |
-8.6 |
0.925 |
2 |
0 |
0 |
0.079 |
12 |
53 |
|
[SO4]G:901 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
36748 |
72.7 |
-8.6 |
0.924 |
2 |
0 |
0 |
0.079 |
13 |
54 |
|
[SO4]K:601 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
13 |
6 |
36789 |
71.7 |
-8.4 |
0.927 |
2 |
0 |
0 |
0.077 |
14 |
55 |
|
[SO4]D:1001 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
36800 |
69.7 |
-6.9 |
0.952 |
1 |
0 |
0 |
0.068 |
56 |
|
[SO4]A:1001 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
36794 |
69.0 |
-6.9 |
0.951 |
1 |
0 |
0 |
0.068 |
57 |
|
[SO4]P:1001 |
5 |
1 |
186 |
f |
P |
x,y,z |
1_555 |
10 |
3 |
36790 |
68.8 |
-6.7 |
0.951 |
2 |
0 |
0 |
0.068 |
58 |
|
[SO4]H:1001 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
10 |
3 |
36748 |
68.7 |
-6.8 |
0.950 |
3 |
0 |
0 |
0.068 |
59 |
|
[SO4]J:1001 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
36789 |
68.4 |
-6.7 |
0.950 |
2 |
0 |
0 |
0.068 |
60 |
|
[SO4]M:1001 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
10 |
3 |
36770 |
67.9 |
-6.8 |
0.950 |
2 |
0 |
0 |
0.068 |
Average: |
68.8 |
-6.8 |
0.951 |
2 |
0 |
0 |
0.068 |
15 |
61 |
|
N |
4 |
2 |
21641 |
◊ |
P |
x,y,z |
1_555 |
9 |
4 |
36790 |
69.2 |
0.2 |
0.569 |
1 |
2 |
0 |
0.000 |
62 |
|
Q |
4 |
2 |
21622 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
4 |
36800 |
69.1 |
0.2 |
0.596 |
1 |
2 |
0 |
0.000 |
63 |
|
H |
4 |
2 |
21632 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
36789 |
68.4 |
0.2 |
0.575 |
1 |
2 |
0 |
0.000 |
64 |
|
E |
4 |
2 |
21632 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
36748 |
68.4 |
0.2 |
0.586 |
1 |
2 |
0 |
0.000 |
65 |
|
B |
4 |
2 |
21639 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
36770 |
68.2 |
0.2 |
0.594 |
1 |
2 |
0 |
0.000 |
66 |
|
K |
4 |
2 |
21600 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
36794 |
67.6 |
0.3 |
0.591 |
1 |
2 |
0 |
0.000 |
Average: |
68.5 |
0.2 |
0.585 |
1 |
2 |
0 |
0.000 |
16 |
67 |
|
[SO4]J:1001 |
5 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
10 |
5 |
22193 |
64.3 |
-7.6 |
0.743 |
0 |
0 |
0 |
0.063 |
68 |
|
[SO4]P:1001 |
5 |
1 |
186 |
◊ |
R |
x,y,z |
1_555 |
10 |
5 |
22196 |
64.2 |
-7.3 |
0.738 |
0 |
0 |
0 |
0.063 |
69 |
|
[SO4]A:1001 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
22225 |
64.0 |
-7.4 |
0.730 |
0 |
0 |
0 |
0.063 |
70 |
|
[SO4]M:1001 |
4 |
1 |
185 |
◊ |
O |
x,y,z |
1_555 |
10 |
5 |
22207 |
63.5 |
-7.3 |
0.733 |
0 |
0 |
0 |
0.063 |
71 |
|
[SO4]D:1001 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
22222 |
63.5 |
-7.3 |
0.735 |
0 |
0 |
0 |
0.063 |
Average: |
63.9 |
-7.4 |
0.736 |
0 |
0 |
0 |
0.063 |
17 |
72 |
|
[SO4]A:1005 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
36794 |
64.1 |
-7.8 |
0.903 |
1 |
0 |
0 |
0.061 |
73 |
|
[SO4]D:1004 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
36800 |
64.1 |
-7.7 |
0.910 |
1 |
0 |
0 |
0.061 |
74 |
|
[SO4]P:1005 |
4 |
1 |
186 |
◊ |
P |
x,y,z |
1_555 |
12 |
3 |
36790 |
64.0 |
-7.8 |
0.902 |
1 |
0 |
0 |
0.061 |
75 |
|
[SO4]J:1003 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
10 |
3 |
36789 |
63.6 |
-7.7 |
0.913 |
1 |
0 |
0 |
0.061 |
76 |
|
[SO4]M:1004 |
4 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
11 |
3 |
36770 |
63.5 |
-7.6 |
0.909 |
1 |
0 |
0 |
0.061 |
77 |
|
[SO4]G:903 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
36748 |
62.9 |
-7.6 |
0.915 |
1 |
0 |
0 |
0.061 |
Average: |
63.7 |
-7.7 |
0.909 |
1 |
0 |
0 |
0.061 |
18 |
78 |
|
[SO4]A:1005 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
21639 |
63.2 |
-8.4 |
0.716 |
0 |
0 |
0 |
0.171 |
79 |
|
[SO4]P:1005 |
4 |
1 |
186 |
f |
Q |
x,y,z |
1_555 |
6 |
3 |
21622 |
62.0 |
-8.3 |
0.718 |
0 |
0 |
0 |
0.171 |
80 |
|
[SO4]M:1004 |
4 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
7 |
3 |
21641 |
61.7 |
-8.2 |
0.732 |
0 |
0 |
0 |
0.171 |
81 |
|
[SO4]G:903 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
21632 |
61.6 |
-8.3 |
0.734 |
0 |
0 |
0 |
0.171 |
82 |
|
[SO4]J:1003 |
4 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
6 |
3 |
21600 |
61.1 |
-8.1 |
0.716 |
0 |
0 |
0 |
0.171 |
83 |
|
[SO4]D:1004 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
21632 |
60.9 |
-8.0 |
0.719 |
0 |
0 |
0 |
0.171 |
Average: |
61.8 |
-8.2 |
0.722 |
0 |
0 |
0 |
0.171 |
19 |
84 |
|
[SO4]H:1001 |
5 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
22207 |
63.0 |
-7.5 |
0.742 |
0 |
0 |
0 |
0.062 |
20 |
85 |
|
[SO4]K:601 |
4 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
7 |
4 |
21600 |
62.1 |
-7.3 |
0.907 |
1 |
0 |
0 |
0.057 |
21 |
86 |
|
[SO4]G:901 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
21632 |
61.3 |
-7.2 |
0.907 |
1 |
0 |
0 |
0.056 |
22 |
87 |
|
[SO4]M:1002 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
7 |
4 |
21641 |
61.0 |
-7.2 |
0.907 |
1 |
0 |
0 |
0.056 |
88 |
|
[SO4]A:1002 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
21639 |
59.3 |
-7.0 |
0.906 |
1 |
0 |
0 |
0.056 |
Average: |
60.1 |
-7.1 |
0.906 |
1 |
0 |
0 |
0.056 |
23 |
89 |
|
[SO4]L:601 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
8 |
5 |
22193 |
60.2 |
-8.1 |
0.882 |
1 |
0 |
0 |
0.173 |
90 |
|
[SO4]F:601 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
22222 |
60.0 |
-8.0 |
0.881 |
1 |
0 |
0 |
0.173 |
91 |
|
[SO4]I:601 |
5 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
8 |
5 |
22207 |
59.6 |
-8.0 |
0.882 |
1 |
0 |
0 |
0.173 |
92 |
|
[SO4]A:1004 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
22225 |
59.2 |
-7.8 |
0.883 |
1 |
0 |
0 |
0.173 |
93 |
|
[SO4]P:1004 |
5 |
1 |
184 |
f |
R |
x,y,z |
1_555 |
8 |
5 |
22196 |
59.1 |
-7.8 |
0.882 |
1 |
0 |
0 |
0.173 |
Average: |
59.6 |
-8.0 |
0.882 |
1 |
0 |
0 |
0.173 |
24 |
94 |
|
[SO4]P:1002 |
4 |
1 |
185 |
◊ |
Q |
x,y,z |
1_555 |
7 |
4 |
21622 |
59.9 |
-7.0 |
0.908 |
1 |
0 |
0 |
0.055 |
25 |
95 |
|
[SO4]D:1002 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
21632 |
59.3 |
-6.8 |
0.905 |
1 |
0 |
0 |
0.054 |
26 |
96 |
|
[SO4]O:601 |
5 |
1 |
184 |
f |
O |
x,y,z |
1_555 |
8 |
5 |
22207 |
59.0 |
-7.9 |
0.881 |
1 |
0 |
0 |
0.169 |
27 |
97 |
|
[SO4]J:1002 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
7 |
4 |
21600 |
54.7 |
-6.8 |
0.614 |
0 |
0 |
0 |
0.051 |
98 |
|
[SO4]A:1003 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
21639 |
54.1 |
-6.7 |
0.606 |
0 |
0 |
0 |
0.051 |
99 |
|
[SO4]P:1003 |
4 |
1 |
185 |
◊ |
Q |
x,y,z |
1_555 |
7 |
4 |
21622 |
53.9 |
-6.8 |
0.604 |
0 |
0 |
0 |
0.051 |
100 |
|
[SO4]D:1003 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
21632 |
53.3 |
-6.7 |
0.608 |
0 |
0 |
0 |
0.051 |
101 |
|
[SO4]G:902 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
21632 |
53.3 |
-6.7 |
0.606 |
0 |
0 |
0 |
0.051 |
102 |
|
[SO4]M:1003 |
4 |
1 |
184 |
◊ |
N |
x,y,z |
1_555 |
7 |
4 |
21641 |
52.6 |
-6.6 |
0.612 |
0 |
0 |
0 |
0.051 |
Average: |
53.6 |
-6.7 |
0.608 |
0 |
0 |
0 |
0.051 |
28 |
103 |
|
[SO4]I:601 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
21632 |
49.5 |
-6.3 |
0.586 |
0 |
0 |
0 |
0.126 |
104 |
|
[SO4]L:601 |
4 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
5 |
3 |
21600 |
48.8 |
-6.1 |
0.599 |
0 |
0 |
0 |
0.126 |
105 |
|
[SO4]P:1004 |
4 |
1 |
184 |
◊ |
Q |
x,y,z |
1_555 |
5 |
3 |
21622 |
48.4 |
-6.1 |
0.586 |
0 |
0 |
0 |
0.126 |
Average: |
48.9 |
-6.2 |
0.591 |
0 |
0 |
0 |
0.126 |
29 |
106 |
|
[SO4]A:1004 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
21639 |
49.3 |
-6.2 |
0.618 |
0 |
0 |
0 |
0.126 |
107 |
|
[SO4]F:601 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
21632 |
48.4 |
-6.1 |
0.630 |
0 |
0 |
0 |
0.126 |
Average: |
48.9 |
-6.1 |
0.624 |
0 |
0 |
0 |
0.126 |
30 |
108 |
|
[SO4]O:601 |
4 |
1 |
184 |
◊ |
N |
x,y,z |
1_555 |
5 |
3 |
21641 |
49.1 |
-6.1 |
0.579 |
0 |
0 |
0 |
0.125 |
31 |
109 |
|
[SO4]H:1001 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
21632 |
48.5 |
-4.3 |
0.922 |
1 |
0 |
0 |
0.035 |
32 |
110 |
|
[SO4]J:1001 |
4 |
1 |
185 |
◊ |
K |
x,y,z |
1_555 |
4 |
3 |
21600 |
48.0 |
-4.3 |
0.920 |
1 |
0 |
0 |
0.035 |
111 |
|
[SO4]P:1001 |
4 |
1 |
186 |
◊ |
Q |
x,y,z |
1_555 |
4 |
3 |
21622 |
48.0 |
-4.2 |
0.920 |
1 |
0 |
0 |
0.035 |
112 |
|
[SO4]D:1001 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
21632 |
48.0 |
-4.3 |
0.917 |
1 |
0 |
0 |
0.035 |
113 |
|
[SO4]M:1001 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
4 |
3 |
21641 |
47.9 |
-4.2 |
0.917 |
1 |
0 |
0 |
0.035 |
114 |
|
[SO4]A:1001 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
21639 |
47.5 |
-4.3 |
0.913 |
1 |
0 |
0 |
0.035 |
Average: |
47.9 |
-4.3 |
0.917 |
1 |
0 |
0 |
0.035 |
33 |
115 |
|
[SO4]P:1004 |
4 |
1 |
184 |
◊ |
P |
x,y,z |
1_555 |
6 |
1 |
36790 |
42.6 |
-4.4 |
0.961 |
2 |
0 |
0 |
0.044 |
34 |
116 |
|
[SO4]F:601 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
36800 |
42.1 |
-4.3 |
0.959 |
2 |
0 |
0 |
0.043 |
117 |
|
[SO4]I:601 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
36748 |
41.9 |
-4.2 |
0.960 |
2 |
0 |
0 |
0.043 |
118 |
|
[SO4]A:1004 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
36794 |
41.6 |
-4.3 |
0.959 |
2 |
0 |
0 |
0.043 |
119 |
|
[SO4]L:601 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
6 |
1 |
36789 |
41.5 |
-4.2 |
0.960 |
2 |
0 |
0 |
0.043 |
Average: |
41.8 |
-4.3 |
0.959 |
2 |
0 |
0 |
0.043 |
35 |
120 |
|
[MG]J:1004 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
2 |
2 |
36789 |
42.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.047 |
121 |
|
[MG]P:1006 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
2 |
2 |
36790 |
41.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.047 |
122 |
|
[MG]A:1006 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
36794 |
41.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.047 |
123 |
|
[MG]G:904 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
2 |
2 |
36748 |
41.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.047 |
124 |
|
[MG]D:1005 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
36800 |
41.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.047 |
125 |
|
[MG]M:1005 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
2 |
2 |
36770 |
40.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
41.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.047 |
36 |
126 |
|
[SO4]O:601 |
4 |
1 |
184 |
◊ |
M |
x,y,z |
1_555 |
6 |
1 |
36770 |
41.9 |
-4.3 |
0.960 |
2 |
0 |
0 |
0.043 |
37 |
127 |
|
[MG]M:1005 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
6 |
2 |
22207 |
34.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.032 |
128 |
|
[MG]G:904 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
22207 |
33.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.032 |
129 |
|
[MG]A:1006 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
22225 |
33.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
130 |
|
[MG]P:1006 |
1 |
1 |
98 |
◊ |
R |
x,y,z |
1_555 |
6 |
2 |
22196 |
32.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.032 |
131 |
|
[MG]D:1005 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
22222 |
32.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
132 |
|
[MG]J:1004 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
22193 |
32.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
33.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.032 |
38 |
133 |
|
[SO4]P:1004 |
2 |
1 |
184 |
◊ |
[SO4]P:1001 |
x,y,z |
1_555 |
3 |
1 |
186 |
13.9 |
-3.3 |
0.976 |
0 |
0 |
0 |
0.027 |
134 |
|
[SO4]A:1004 |
2 |
1 |
185 |
◊ |
[SO4]A:1001 |
x,y,z |
1_555 |
2 |
1 |
185 |
13.6 |
-3.3 |
0.960 |
0 |
0 |
0 |
0.027 |
135 |
|
[SO4]F:601 |
2 |
1 |
185 |
◊ |
[SO4]D:1001 |
x,y,z |
1_555 |
3 |
1 |
186 |
13.1 |
-3.1 |
0.976 |
0 |
0 |
0 |
0.027 |
Average: |
13.5 |
-3.2 |
0.971 |
0 |
0 |
0 |
0.027 |
39 |
136 |
|
[SO4]O:601 |
2 |
1 |
184 |
◊ |
[SO4]M:1001 |
x,y,z |
1_555 |
2 |
1 |
185 |
13.8 |
-3.3 |
0.960 |
0 |
0 |
0 |
0.028 |
40 |
137 |
|
[SO4]L:601 |
2 |
1 |
184 |
◊ |
[SO4]J:1001 |
x,y,z |
1_555 |
2 |
1 |
185 |
12.3 |
-3.0 |
0.960 |
0 |
0 |
0 |
0.025 |
138 |
|
[SO4]I:601 |
2 |
1 |
184 |
◊ |
[SO4]H:1001 |
x,y,z |
1_555 |
3 |
1 |
185 |
11.9 |
-2.8 |
0.976 |
0 |
0 |
0 |
0.025 |
Average: |
12.1 |
-2.9 |
0.968 |
0 |
0 |
0 |
0.025 |
41 |
139 |
|
E |
2 |
2 |
21632 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
2 |
36748 |
4.7 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
140 |
|
P |
2 |
2 |
36790 |
◊ |
N |
x,y-1,z |
1_545 |
2 |
2 |
21641 |
4.6 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
141 |
|
H |
1 |
1 |
21632 |
◊ |
J |
x,y-1,z |
1_545 |
1 |
1 |
36789 |
4.5 |
0.1 |
0.812 |
0 |
0 |
0 |
0.000 |
142 |
|
A |
2 |
2 |
36794 |
◊ |
K |
x-1,y+1,z |
1_465 |
2 |
2 |
21600 |
4.5 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
143 |
|
Q |
2 |
2 |
21622 |
◊ |
D |
x-1,y+1,z-1 |
1_464 |
2 |
2 |
36800 |
4.4 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
144 |
|
M |
1 |
1 |
36770 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
21639 |
4.2 |
0.1 |
0.807 |
0 |
0 |
0 |
0.000 |
Average: |
4.5 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
42 |
145 |
|
[SO4]M:1004 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22225 |
2.2 |
-0.3 |
0.688 |
0 |
0 |
0 |
0.000 |
146 |
|
[SO4]P:1005 |
1 |
1 |
186 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
22207 |
2.1 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
43 |
147 |
|
R |
1 |
1 |
22196 |
◊ |
[SO4]D:1004 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
1.9 |
-0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
148 |
|
[SO4]G:903 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
22222 |
1.6 |
-0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
149 |
|
[SO4]A:1005 |
1 |
1 |
185 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
22193 |
1.3 |
-0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
150 |
|
[SO4]J:1003 |
1 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
22207 |
1.2 |
-0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
Average: |
1.5 |
-0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
|