| ## |
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 |
|
I |
152 |
40 |
8378 |
◊ |
H |
x,y,z |
1_555 |
142 |
39 |
9792 |
1384.0 |
-16.6 |
0.235 |
22 |
4 |
1 |
0.000 |
2 |
|
B |
140 |
36 |
8750 |
◊ |
A |
x,y,z |
1_555 |
140 |
36 |
9157 |
1323.1 |
-18.4 |
0.170 |
15 |
2 |
2 |
0.000 |
3 |
|
J |
146 |
37 |
9362 |
◊ |
E |
x,y,z |
1_555 |
141 |
38 |
8575 |
1285.8 |
-18.3 |
0.128 |
13 |
2 |
1 |
0.000 |
4 |
|
G |
136 |
37 |
9492 |
◊ |
F |
x,y,z |
1_555 |
127 |
34 |
8579 |
1239.5 |
-17.9 |
0.161 |
12 |
2 |
1 |
0.000 |
| Average: |
1308.1 |
-17.8 |
0.173 |
16 |
3 |
1 |
0.000 |
| 2 |
5 |
|
D |
116 |
30 |
8257 |
◊ |
C |
x,y,z |
1_555 |
114 |
30 |
8185 |
1076.6 |
-12.2 |
0.273 |
12 |
4 |
0 |
0.289 |
| 3 |
6 |
|
C |
71 |
21 |
8185 |
◊ |
B |
x,y,z |
1_555 |
68 |
21 |
8750 |
680.7 |
-13.3 |
0.064 |
1 |
0 |
0 |
0.150 |
7 |
|
H |
70 |
21 |
9792 |
◊ |
G |
x,y,z |
1_555 |
72 |
21 |
9492 |
673.8 |
-12.8 |
0.116 |
0 |
0 |
0 |
0.150 |
8 |
|
F |
73 |
21 |
8579 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
9157 |
653.4 |
-11.4 |
0.129 |
2 |
0 |
0 |
0.150 |
9 |
|
E |
67 |
21 |
8575 |
◊ |
D |
x,y,z |
1_555 |
70 |
21 |
8257 |
646.5 |
-13.3 |
0.043 |
0 |
0 |
0 |
0.150 |
10 |
|
J |
66 |
20 |
9362 |
◊ |
I |
x,y,z |
1_555 |
67 |
21 |
8378 |
638.9 |
-12.8 |
0.060 |
0 |
0 |
0 |
0.150 |
| Average: |
658.7 |
-12.8 |
0.083 |
1 |
0 |
0 |
0.150 |
| 4 |
11 |
|
J |
52 |
14 |
9362 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
58 |
14 |
9492 |
473.8 |
-3.5 |
0.577 |
3 |
2 |
0 |
0.067 |
12 |
|
H |
55 |
14 |
9792 |
◊ |
A |
-x+3,y-1/2,-z+3 |
2_848 |
57 |
17 |
9157 |
445.2 |
-3.3 |
0.571 |
7 |
6 |
0 |
0.067 |
| Average: |
459.5 |
-3.4 |
0.574 |
5 |
4 |
0 |
0.067 |
| 5 |
13 |
|
E |
51 |
15 |
8575 |
◊ |
F |
x-1,y,z |
1_455 |
51 |
17 |
8579 |
448.2 |
1.4 |
0.854 |
4 |
2 |
0 |
0.000 |
| 6 |
14 |
|
J |
43 |
10 |
9362 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
40 |
11 |
9157 |
430.6 |
-8.0 |
0.124 |
3 |
0 |
0 |
0.000 |
| 7 |
15 |
|
C |
41 |
12 |
8185 |
◊ |
G |
x-1,y,z-1 |
1_454 |
44 |
13 |
9492 |
391.6 |
-0.3 |
0.775 |
2 |
3 |
0 |
0.005 |
| 8 |
16 |
|
H |
42 |
11 |
9792 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
31 |
10 |
9492 |
342.0 |
-2.6 |
0.422 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
B |
41 |
15 |
8750 |
◊ |
I |
x,y,z-1 |
1_554 |
42 |
12 |
8378 |
313.5 |
2.8 |
0.910 |
3 |
1 |
0 |
0.000 |
| 10 |
18 |
|
I |
37 |
10 |
8378 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
29 |
8 |
9492 |
288.5 |
-3.7 |
0.366 |
2 |
0 |
0 |
0.014 |
| 11 |
19 |
|
D |
27 |
9 |
8257 |
◊ |
H |
x-1,y,z-1 |
1_454 |
26 |
8 |
9792 |
259.8 |
0.8 |
0.808 |
5 |
1 |
0 |
0.005 |
| 12 |
20 |
|
H |
31 |
12 |
9792 |
◊ |
F |
-x+3,y-1/2,-z+3 |
2_848 |
36 |
10 |
8579 |
257.0 |
-1.7 |
0.503 |
2 |
0 |
0 |
0.008 |
| 13 |
21 |
|
[GOL]G:204 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
27 |
10 |
9492 |
146.2 |
-0.9 |
0.540 |
1 |
0 |
0 |
0.016 |
| 14 |
22 |
|
[GOL]A:204 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
9157 |
145.0 |
-0.9 |
0.544 |
4 |
0 |
0 |
0.026 |
| 15 |
23 |
|
[GOL]G:205 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
23 |
11 |
9492 |
144.9 |
-1.0 |
0.590 |
5 |
0 |
0 |
0.037 |
| 16 |
24 |
|
[GOL]A:205 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
9157 |
144.9 |
-0.5 |
0.566 |
4 |
0 |
0 |
0.021 |
| 17 |
25 |
|
[GOL]H:204 |
6 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
24 |
10 |
9792 |
143.9 |
-1.1 |
0.489 |
3 |
0 |
0 |
0.028 |
| 18 |
26 |
|
[GOL]D:205 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
8257 |
138.5 |
-0.5 |
0.585 |
3 |
0 |
0 |
0.029 |
| 19 |
27 |
|
[GOL]J:203 |
6 |
1 |
218 |
f |
J |
x,y,z |
1_555 |
24 |
11 |
9362 |
137.4 |
-0.6 |
0.615 |
3 |
0 |
0 |
0.018 |
| 20 |
28 |
|
[GOL]D:203 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
25 |
12 |
8257 |
136.8 |
-0.5 |
0.628 |
2 |
0 |
0 |
0.022 |
| 21 |
29 |
|
[SO4]E:201 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
22 |
11 |
8575 |
130.4 |
-21.2 |
0.610 |
1 |
0 |
0 |
0.213 |
| 22 |
30 |
|
[SO4]F:202 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
22 |
11 |
8579 |
128.0 |
-21.0 |
0.659 |
2 |
0 |
0 |
0.209 |
| 23 |
31 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
8750 |
125.6 |
-20.7 |
0.667 |
2 |
0 |
0 |
0.216 |
| 24 |
32 |
|
[GOL]J:204 |
5 |
1 |
220 |
f |
J |
x,y,z |
1_555 |
20 |
7 |
9362 |
124.1 |
-0.1 |
0.634 |
2 |
0 |
0 |
0.009 |
| 25 |
33 |
|
[SO4]I:201 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
22 |
12 |
8378 |
123.8 |
-20.6 |
0.718 |
3 |
0 |
0 |
0.199 |
| 26 |
34 |
|
[GOL]E:207 |
6 |
1 |
221 |
f |
J |
x,y,z |
1_555 |
17 |
9 |
9362 |
118.7 |
-0.6 |
0.548 |
2 |
0 |
0 |
0.014 |
| 27 |
35 |
|
[SO4]H:202 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
18 |
11 |
9792 |
116.5 |
-20.7 |
0.702 |
5 |
0 |
0 |
0.268 |
| 28 |
36 |
|
J |
11 |
6 |
9362 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
3 |
8750 |
112.2 |
-3.5 |
0.099 |
0 |
0 |
0 |
0.006 |
| 29 |
37 |
|
[SO4]J:202 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
14 |
7 |
9362 |
111.9 |
-17.7 |
0.674 |
2 |
0 |
0 |
0.168 |
| 30 |
38 |
|
[SO4]B:202 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8750 |
111.4 |
-19.3 |
0.758 |
5 |
0 |
0 |
0.215 |
| 31 |
39 |
|
[GOL]J:207 |
6 |
1 |
219 |
◊ |
J |
x,y,z |
1_555 |
16 |
10 |
9362 |
111.1 |
-0.5 |
0.552 |
1 |
0 |
0 |
0.009 |
| 32 |
40 |
|
[GOL]J:208 |
6 |
1 |
219 |
f |
J |
x,y,z |
1_555 |
15 |
6 |
9362 |
109.9 |
-1.0 |
0.438 |
0 |
0 |
0 |
0.009 |
| 33 |
41 |
|
[SO4]A:201 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
9157 |
109.6 |
-18.6 |
0.369 |
5 |
0 |
0 |
0.199 |
| 34 |
42 |
|
[GOL]B:205 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
8750 |
107.8 |
-0.3 |
0.590 |
1 |
0 |
0 |
0.008 |
| 35 |
43 |
|
[GOL]E:206 |
5 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
21 |
7 |
8575 |
107.4 |
-0.8 |
0.487 |
0 |
0 |
0 |
0.008 |
| 36 |
44 |
|
E |
13 |
3 |
8575 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
5 |
9157 |
106.7 |
-2.8 |
0.116 |
0 |
0 |
0 |
0.008 |
| 37 |
45 |
|
[GOL]J:205 |
6 |
1 |
222 |
f |
J |
x,y,z |
1_555 |
20 |
9 |
9362 |
103.2 |
0.3 |
0.678 |
3 |
0 |
0 |
0.010 |
| 38 |
46 |
|
[GOL]E:205 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
8257 |
99.3 |
0.3 |
0.575 |
3 |
0 |
0 |
0.016 |
| 39 |
47 |
|
[GOL]H:203 |
6 |
1 |
222 |
◊ |
I |
x,y,z |
1_555 |
18 |
8 |
8378 |
97.8 |
-0.5 |
0.502 |
1 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[SO4]B:203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8750 |
97.6 |
-15.6 |
0.722 |
4 |
0 |
0 |
0.174 |
| 41 |
49 |
|
[SO4]E:203 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
8575 |
95.3 |
-14.6 |
0.737 |
0 |
0 |
0 |
0.144 |
| 42 |
50 |
|
[GOL]G:203 |
6 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
17 |
6 |
9492 |
93.7 |
-0.1 |
0.658 |
4 |
0 |
0 |
0.022 |
| 43 |
51 |
|
[GOL]H:203 |
6 |
1 |
222 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
9792 |
90.2 |
-1.1 |
0.404 |
0 |
0 |
0 |
0.013 |
| 44 |
52 |
|
[GOL]B:204 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
8750 |
88.0 |
-0.1 |
0.603 |
2 |
0 |
0 |
0.010 |
| 45 |
53 |
|
[GOL]F:203 |
6 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
8579 |
87.8 |
-0.4 |
0.556 |
0 |
0 |
0 |
0.004 |
| 46 |
54 |
|
[GOL]J:206 |
6 |
1 |
220 |
f |
J |
x,y,z |
1_555 |
14 |
5 |
9362 |
87.0 |
-0.4 |
0.546 |
2 |
0 |
0 |
0.011 |
| 47 |
55 |
|
[GOL]D:204 |
5 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
8257 |
85.7 |
-0.5 |
0.533 |
1 |
0 |
0 |
0.016 |
| 48 |
56 |
|
[GOL]E:205 |
6 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
8575 |
84.5 |
1.0 |
0.713 |
4 |
0 |
0 |
0.008 |
| 49 |
57 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8185 |
83.2 |
-11.1 |
0.873 |
2 |
0 |
0 |
0.191 |
| 50 |
58 |
|
[SO4]G:201 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
9492 |
82.0 |
-12.6 |
0.768 |
5 |
0 |
0 |
0.173 |
| 51 |
59 |
|
[SO4]D:201 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
8257 |
81.9 |
-11.5 |
0.828 |
4 |
0 |
0 |
0.212 |
| 52 |
60 |
|
[SO4]F:201 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
8579 |
80.7 |
-12.2 |
0.769 |
5 |
0 |
0 |
0.138 |
| 53 |
61 |
|
[SO4]H:201 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
9792 |
78.2 |
-12.1 |
0.723 |
6 |
0 |
0 |
0.172 |
| 54 |
62 |
|
[SO4]A:202 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9157 |
76.7 |
-11.1 |
0.763 |
5 |
0 |
0 |
0.127 |
| 55 |
63 |
|
[SO4]I:202 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
8378 |
75.4 |
-9.9 |
0.876 |
2 |
0 |
0 |
0.097 |
| 56 |
64 |
|
[SO4]J:201 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
9362 |
75.4 |
-11.4 |
0.756 |
5 |
0 |
0 |
0.124 |
| 57 |
65 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9157 |
75.0 |
-10.1 |
0.846 |
3 |
0 |
0 |
0.109 |
| 58 |
66 |
|
[SO4]D:202 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8257 |
74.8 |
-11.0 |
0.811 |
6 |
0 |
0 |
0.219 |
| 59 |
67 |
|
[SO4]E:204 |
4 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
14 |
5 |
9362 |
73.8 |
-10.3 |
0.783 |
0 |
0 |
0 |
0.093 |
| 60 |
68 |
|
[SO4]E:202 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
8575 |
68.8 |
-9.7 |
0.724 |
5 |
0 |
0 |
0.118 |
| 61 |
69 |
|
[SO4]G:202 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
9492 |
66.8 |
-9.4 |
0.689 |
2 |
0 |
0 |
0.121 |
| 62 |
70 |
|
[GOL]E:207 |
5 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
8575 |
63.0 |
-0.4 |
0.522 |
1 |
0 |
0 |
0.000 |
| 63 |
71 |
|
H |
10 |
4 |
9792 |
◊ |
[SO4]F:201 |
-x+3,y-1/2,-z+3 |
2_848 |
4 |
1 |
186 |
56.6 |
-7.0 |
0.863 |
0 |
0 |
0 |
0.021 |
| 64 |
72 |
|
H |
9 |
4 |
9792 |
◊ |
[SO4]A:203 |
-x+3,y-1/2,-z+3 |
2_848 |
4 |
1 |
186 |
56.2 |
-7.8 |
0.609 |
0 |
0 |
0 |
0.072 |
| 65 |
73 |
|
[SO4]E:202 |
4 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
12 |
2 |
9362 |
48.8 |
-6.5 |
0.663 |
0 |
0 |
0 |
0.000 |
| 66 |
74 |
|
J |
12 |
4 |
9362 |
◊ |
[SO4]C:201 |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
186 |
47.6 |
-6.3 |
0.734 |
0 |
0 |
0 |
0.011 |
| 67 |
75 |
|
J |
7 |
3 |
9362 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
3 |
8185 |
47.4 |
0.4 |
0.762 |
0 |
0 |
0 |
0.000 |
| 68 |
76 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
12 |
3 |
9157 |
44.0 |
-6.2 |
0.715 |
0 |
0 |
0 |
0.018 |
| 69 |
77 |
|
[SO4]E:204 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
8575 |
43.6 |
-5.0 |
0.858 |
1 |
0 |
0 |
0.000 |
| 70 |
78 |
|
D |
5 |
3 |
8257 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
3 |
9157 |
42.6 |
-0.6 |
0.468 |
0 |
0 |
0 |
0.002 |
| 71 |
79 |
|
[GOL]J:204 |
5 |
1 |
220 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8378 |
42.4 |
-0.0 |
0.600 |
1 |
0 |
0 |
0.004 |
| 72 |
80 |
|
[GOL]E:206 |
4 |
1 |
222 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
3 |
9157 |
42.2 |
0.6 |
0.710 |
0 |
0 |
0 |
0.000 |
| 73 |
81 |
|
[GOL]B:204 |
5 |
1 |
218 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
4 |
1 |
186 |
41.4 |
-5.2 |
0.673 |
1 |
0 |
0 |
0.056 |
| 74 |
82 |
|
[GOL]J:205 |
5 |
1 |
222 |
f |
[SO4]J:201 |
x,y,z |
1_555 |
3 |
1 |
187 |
38.2 |
-4.9 |
0.691 |
1 |
0 |
0 |
0.048 |
| 75 |
83 |
|
[GOL]J:207 |
3 |
1 |
219 |
f |
I |
x,y,z |
1_555 |
4 |
1 |
8378 |
37.6 |
-1.0 |
0.295 |
0 |
0 |
0 |
0.009 |
| 76 |
84 |
|
[SO4]E:202 |
4 |
1 |
187 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
9157 |
36.0 |
-3.9 |
0.721 |
1 |
0 |
0 |
0.013 |
| 77 |
85 |
|
[GOL]B:204 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
8185 |
34.5 |
-0.8 |
0.203 |
0 |
0 |
0 |
0.008 |
| 78 |
86 |
|
[GOL]J:206 |
4 |
1 |
220 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
3 |
1 |
9492 |
34.1 |
-0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
| 79 |
87 |
|
[GOL]D:204 |
3 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
8185 |
32.4 |
-0.4 |
0.389 |
0 |
0 |
0 |
0.007 |
| 80 |
88 |
|
[GOL]J:204 |
3 |
1 |
220 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
2 |
1 |
9492 |
29.9 |
-0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
| 81 |
89 |
|
J |
3 |
2 |
9362 |
◊ |
[GOL]G:203 |
-x+3,y-1/2,-z+3 |
2_848 |
3 |
1 |
218 |
29.4 |
0.6 |
0.685 |
0 |
0 |
0 |
0.000 |
| 82 |
90 |
|
[SO4]D:201 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8575 |
27.7 |
-3.8 |
0.358 |
0 |
0 |
0 |
0.037 |
| 83 |
91 |
|
[SO4]I:202 |
3 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
9362 |
26.9 |
-3.8 |
0.438 |
0 |
0 |
0 |
0.034 |
| 84 |
92 |
|
[SO4]C:201 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8750 |
25.8 |
-3.7 |
0.432 |
0 |
0 |
0 |
0.037 |
| 85 |
93 |
|
[SO4]A:203 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
8579 |
23.9 |
-3.1 |
0.441 |
0 |
0 |
0 |
0.029 |
| 86 |
94 |
|
[GOL]J:203 |
3 |
1 |
218 |
f |
[SO4]J:202 |
x,y,z |
1_555 |
2 |
1 |
187 |
19.4 |
-2.8 |
0.663 |
0 |
0 |
0 |
0.025 |
| 87 |
95 |
|
[GOL]E:206 |
2 |
1 |
222 |
f |
[SO4]E:202 |
x,y,z |
1_555 |
1 |
1 |
187 |
19.1 |
-2.0 |
0.745 |
1 |
0 |
0 |
0.024 |
| 88 |
96 |
|
[GOL]A:205 |
1 |
1 |
221 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
187 |
15.6 |
-1.7 |
0.632 |
1 |
0 |
0 |
0.021 |
| 89 |
97 |
|
[GOL]J:208 |
1 |
1 |
219 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
9492 |
13.9 |
0.3 |
0.657 |
0 |
0 |
0 |
0.000 |
| 90 |
98 |
|
[SO4]B:202 |
1 |
1 |
187 |
◊ |
I |
x,y,z-1 |
1_554 |
1 |
1 |
8378 |
7.7 |
-0.7 |
0.855 |
0 |
0 |
0 |
0.000 |
| 91 |
99 |
|
[GOL]J:206 |
1 |
1 |
220 |
f |
[GOL]J:205 |
x,y,z |
1_555 |
1 |
1 |
222 |
7.7 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 92 |
100 |
|
[SO4]B:203 |
1 |
1 |
186 |
f |
[SO4]B:201 |
x,y,z |
1_555 |
2 |
1 |
186 |
7.6 |
-1.8 |
0.876 |
0 |
0 |
0 |
0.018 |
| 93 |
101 |
|
I |
1 |
1 |
8378 |
◊ |
[SO4]A:203 |
-x+3,y-1/2,-z+3 |
2_848 |
2 |
1 |
186 |
5.8 |
-0.9 |
0.388 |
0 |
0 |
0 |
0.000 |
| 94 |
102 |
|
[GOL]J:206 |
1 |
1 |
220 |
f |
[SO4]J:201 |
x,y,z |
1_555 |
1 |
1 |
187 |
4.8 |
-0.5 |
0.632 |
0 |
0 |
0 |
0.005 |
| 95 |
103 |
|
[GOL]J:205 |
1 |
1 |
222 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
2 |
1 |
9492 |
4.6 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
| 96 |
104 |
|
[SO4]F:201 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
9492 |
4.4 |
-0.7 |
0.407 |
0 |
0 |
0 |
0.000 |
| 97 |
105 |
|
[GOL]B:204 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9157 |
4.2 |
-0.0 |
0.427 |
0 |
0 |
0 |
0.000 |
| 98 |
106 |
|
[GOL]E:206 |
1 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8257 |
2.2 |
-0.0 |
0.463 |
0 |
0 |
0 |
0.000 |
| 99 |
107 |
|
C |
1 |
1 |
8185 |
◊ |
H |
x-1,y,z-1 |
1_454 |
1 |
1 |
9792 |
1.6 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
| 100 |
108 |
|
[SO4]B:203 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9157 |
1.3 |
-0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
| 101 |
109 |
|
J |
1 |
1 |
9362 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
9792 |
0.8 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|