| ## |
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 |
57 |
16 |
8031 |
◊ |
D |
x,y,z |
1_555 |
59 |
17 |
8119 |
566.9 |
-1.6 |
0.667 |
9 |
0 |
0 |
0.000 |
2 |
|
N |
57 |
16 |
7785 |
◊ |
C |
x,y,z |
1_555 |
59 |
16 |
8133 |
565.5 |
-0.6 |
0.777 |
8 |
0 |
0 |
0.000 |
3 |
|
O |
57 |
16 |
8092 |
◊ |
J |
-x,-x+y,-z+1/3 |
6_555 |
57 |
16 |
7967 |
563.2 |
-0.8 |
0.703 |
8 |
0 |
0 |
0.000 |
4 |
|
P |
59 |
16 |
7987 |
◊ |
M |
x,y,z |
1_555 |
57 |
16 |
8124 |
561.2 |
-0.9 |
0.707 |
9 |
0 |
0 |
0.000 |
5 |
|
R |
56 |
16 |
8032 |
◊ |
E |
x,y,z |
1_555 |
59 |
16 |
8091 |
552.0 |
-1.1 |
0.715 |
8 |
0 |
0 |
0.000 |
6 |
|
Q |
56 |
17 |
8074 |
◊ |
G |
x,y,z |
1_555 |
57 |
16 |
7893 |
551.6 |
-1.2 |
0.710 |
8 |
0 |
0 |
0.000 |
7 |
|
H |
60 |
16 |
7973 |
◊ |
B |
x,y,z |
1_555 |
59 |
16 |
8154 |
550.9 |
-1.5 |
0.643 |
8 |
0 |
0 |
0.000 |
8 |
|
L |
58 |
16 |
8010 |
◊ |
A |
x,y,z |
1_555 |
57 |
16 |
7870 |
547.4 |
-1.8 |
0.734 |
8 |
0 |
0 |
0.000 |
9 |
|
K |
56 |
16 |
7879 |
◊ |
F |
x,y,z |
1_555 |
56 |
16 |
7996 |
547.3 |
-0.8 |
0.775 |
8 |
0 |
0 |
0.000 |
| Average: |
556.2 |
-1.1 |
0.714 |
8 |
0 |
0 |
0.000 |
| 2 |
10 |
|
B |
64 |
15 |
8154 |
◊ |
E |
-y,x-y+1,z-2/3 |
2_564 |
54 |
14 |
8091 |
528.6 |
-4.2 |
0.415 |
4 |
6 |
0 |
0.000 |
11 |
|
Q |
56 |
16 |
8074 |
◊ |
C |
x,y,z |
1_555 |
64 |
16 |
8133 |
524.7 |
-4.3 |
0.426 |
4 |
1 |
0 |
0.000 |
12 |
|
D |
60 |
18 |
8119 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
7870 |
507.3 |
-5.0 |
0.415 |
3 |
1 |
0 |
0.000 |
| Average: |
520.2 |
-4.5 |
0.419 |
4 |
3 |
0 |
0.000 |
| 3 |
13 |
|
[APR]E:201 |
36 |
1 |
728 |
f |
E |
x,y,z |
1_555 |
71 |
27 |
8091 |
526.6 |
-11.0 |
0.386 |
8 |
0 |
0 |
0.051 |
14 |
|
[APR]R:401 |
35 |
1 |
711 |
f |
R |
x,y,z |
1_555 |
75 |
29 |
8032 |
525.5 |
-10.3 |
0.489 |
8 |
0 |
0 |
0.051 |
15 |
|
[APR]B:201 |
36 |
1 |
726 |
f |
B |
x,y,z |
1_555 |
70 |
29 |
8154 |
525.5 |
-10.4 |
0.364 |
9 |
0 |
0 |
0.051 |
16 |
|
[APR]A:201 |
36 |
1 |
720 |
f |
A |
x,y,z |
1_555 |
71 |
29 |
7870 |
525.5 |
-11.2 |
0.409 |
9 |
0 |
0 |
0.051 |
17 |
|
[APR]L:201 |
36 |
1 |
712 |
f |
L |
x,y,z |
1_555 |
74 |
29 |
8010 |
521.4 |
-10.2 |
0.525 |
11 |
0 |
0 |
0.051 |
18 |
|
[APR]H:201 |
36 |
1 |
719 |
f |
H |
x,y,z |
1_555 |
71 |
28 |
7973 |
517.8 |
-9.7 |
0.444 |
11 |
0 |
0 |
0.051 |
19 |
|
[APR]N:201 |
36 |
1 |
712 |
f |
N |
x,y,z |
1_555 |
78 |
30 |
7785 |
517.7 |
-10.1 |
0.553 |
12 |
0 |
0 |
0.051 |
20 |
|
[APR]O:201 |
36 |
1 |
720 |
f |
O |
x,y,z |
1_555 |
69 |
28 |
8092 |
517.3 |
-9.2 |
0.403 |
7 |
0 |
0 |
0.051 |
21 |
|
[APR]K:201 |
36 |
1 |
724 |
f |
K |
x,y,z |
1_555 |
71 |
27 |
7879 |
514.6 |
-9.0 |
0.515 |
9 |
0 |
0 |
0.051 |
22 |
|
[APR]I:201 |
36 |
1 |
702 |
f |
I |
x,y,z |
1_555 |
74 |
29 |
8031 |
513.6 |
-8.1 |
0.507 |
8 |
0 |
0 |
0.051 |
23 |
|
[APR]Q:201 |
36 |
1 |
710 |
f |
Q |
x,y,z |
1_555 |
71 |
27 |
8074 |
512.6 |
-8.9 |
0.417 |
8 |
0 |
0 |
0.051 |
24 |
|
[APR]P:201 |
36 |
1 |
721 |
f |
P |
x,y,z |
1_555 |
72 |
28 |
7987 |
510.4 |
-9.6 |
0.430 |
9 |
0 |
0 |
0.051 |
25 |
|
[APR]F:201 |
36 |
1 |
717 |
f |
F |
x,y,z |
1_555 |
69 |
27 |
7996 |
510.4 |
-8.7 |
0.466 |
9 |
0 |
0 |
0.051 |
26 |
|
[APR]M:201 |
36 |
1 |
728 |
f |
M |
x,y,z |
1_555 |
72 |
27 |
8124 |
510.4 |
-8.6 |
0.397 |
8 |
0 |
0 |
0.051 |
27 |
|
[APR]J:201 |
36 |
1 |
699 |
f |
J |
x,y,z |
1_555 |
71 |
28 |
7967 |
499.4 |
-6.9 |
0.451 |
7 |
0 |
0 |
0.051 |
28 |
|
[APR]G:201 |
27 |
1 |
560 |
f |
G |
x,y,z |
1_555 |
57 |
22 |
7893 |
396.0 |
-4.1 |
0.516 |
8 |
0 |
0 |
0.051 |
29 |
|
[APR]D:201 |
27 |
1 |
559 |
f |
D |
x,y,z |
1_555 |
58 |
23 |
8119 |
392.7 |
-3.9 |
0.462 |
8 |
0 |
0 |
0.051 |
| Average: |
502.2 |
-8.8 |
0.455 |
9 |
0 |
0 |
0.051 |
| 4 |
30 |
|
[APR]C:201 |
36 |
1 |
720 |
cf |
C |
x,y,z |
1_555 |
70 |
27 |
8133 |
517.4 |
-11.1 |
0.354 |
8 |
0 |
0 |
0.049 |
| 5 |
31 |
|
Q |
33 |
13 |
8074 |
◊ |
E |
x,y,z |
1_555 |
34 |
13 |
8091 |
297.3 |
-2.6 |
0.427 |
2 |
2 |
0 |
0.000 |
32 |
|
J |
35 |
13 |
7967 |
◊ |
R |
-y,x-y+1,z+1/3 |
2_565 |
30 |
12 |
8032 |
284.3 |
-4.7 |
0.217 |
1 |
1 |
0 |
0.000 |
33 |
|
L |
35 |
13 |
8010 |
◊ |
F |
x,y,z |
1_555 |
33 |
14 |
7996 |
264.7 |
-3.5 |
0.388 |
0 |
0 |
0 |
0.000 |
34 |
|
O |
28 |
12 |
8092 |
◊ |
H |
x,y,z |
1_555 |
28 |
13 |
7973 |
250.9 |
-3.7 |
0.243 |
1 |
0 |
0 |
0.000 |
35 |
|
P |
26 |
11 |
7987 |
◊ |
N |
x,y,z |
1_555 |
24 |
11 |
7785 |
243.1 |
-4.3 |
0.206 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
28 |
12 |
8133 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
8154 |
236.2 |
-3.7 |
0.249 |
0 |
0 |
0 |
0.000 |
37 |
|
M |
27 |
12 |
8124 |
◊ |
I |
x,y,z |
1_555 |
25 |
10 |
8031 |
227.2 |
-4.1 |
0.199 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
19 |
8 |
8119 |
◊ |
D |
x-y,-y,-z-1/3 |
5_554 |
19 |
8 |
8119 |
185.1 |
-5.8 |
0.033 |
0 |
0 |
0 |
0.000 |
| Average: |
248.6 |
-4.0 |
0.245 |
1 |
0 |
0 |
0.000 |
| 6 |
39 |
|
K |
29 |
11 |
7879 |
◊ |
G |
x,y,z |
1_555 |
27 |
11 |
7893 |
271.6 |
-5.3 |
0.152 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
31 |
10 |
7870 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
31 |
10 |
7870 |
267.8 |
-4.7 |
0.247 |
0 |
0 |
0 |
0.000 |
| Average: |
269.7 |
-5.0 |
0.200 |
0 |
0 |
0 |
0.000 |
| 7 |
41 |
|
I |
30 |
7 |
8031 |
◊ |
D |
x-y,-y,-z-1/3 |
5_554 |
22 |
8 |
8119 |
243.1 |
1.4 |
0.755 |
1 |
1 |
0 |
0.000 |
42 |
|
G |
30 |
9 |
7893 |
◊ |
E |
x,y,z |
1_555 |
20 |
7 |
8091 |
228.8 |
0.5 |
0.771 |
2 |
1 |
0 |
0.000 |
43 |
|
R |
19 |
5 |
8032 |
◊ |
O |
y-1,x,-z |
4_455 |
29 |
8 |
8092 |
225.5 |
0.9 |
0.758 |
3 |
1 |
0 |
0.000 |
44 |
|
J |
29 |
7 |
7967 |
◊ |
H |
-x,-x+y,-z+1/3 |
6_555 |
18 |
6 |
7973 |
220.6 |
-0.4 |
0.563 |
3 |
1 |
0 |
0.000 |
45 |
|
H |
28 |
9 |
7973 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
8133 |
219.5 |
0.4 |
0.724 |
1 |
1 |
0 |
0.000 |
46 |
|
R |
28 |
9 |
8032 |
◊ |
Q |
x,y,z |
1_555 |
19 |
6 |
8074 |
216.4 |
0.5 |
0.734 |
3 |
1 |
0 |
0.000 |
47 |
|
L |
18 |
5 |
8010 |
◊ |
K |
x,y,z |
1_555 |
26 |
8 |
7879 |
213.6 |
0.7 |
0.792 |
2 |
2 |
0 |
0.000 |
48 |
|
P |
28 |
7 |
7987 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
8031 |
209.8 |
-0.6 |
0.503 |
2 |
1 |
0 |
0.000 |
49 |
|
G |
17 |
5 |
7893 |
◊ |
F |
x,y,z |
1_555 |
28 |
7 |
7996 |
207.4 |
-0.5 |
0.544 |
3 |
1 |
0 |
0.000 |
50 |
|
Q |
25 |
7 |
8074 |
◊ |
K |
x,y,z |
1_555 |
17 |
6 |
7879 |
206.0 |
-0.4 |
0.606 |
2 |
1 |
0 |
0.000 |
51 |
|
N |
17 |
6 |
7785 |
◊ |
M |
x,y,z |
1_555 |
27 |
7 |
8124 |
204.9 |
-0.6 |
0.554 |
3 |
1 |
0 |
0.000 |
52 |
|
M |
16 |
5 |
8124 |
◊ |
D |
x,y,z |
1_555 |
27 |
7 |
8119 |
203.1 |
-0.9 |
0.443 |
2 |
1 |
0 |
0.000 |
53 |
|
J |
17 |
6 |
7967 |
◊ |
E |
-y,x-y+1,z+1/3 |
2_565 |
26 |
7 |
8091 |
202.2 |
-0.2 |
0.601 |
2 |
1 |
0 |
0.000 |
54 |
|
P |
17 |
6 |
7987 |
◊ |
C |
x,y,z |
1_555 |
26 |
7 |
8133 |
200.1 |
-0.5 |
0.544 |
2 |
1 |
0 |
0.000 |
55 |
|
O |
17 |
5 |
8092 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
8154 |
196.3 |
-0.6 |
0.479 |
2 |
1 |
0 |
0.000 |
56 |
|
F |
17 |
6 |
7996 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
7870 |
194.3 |
-0.5 |
0.551 |
2 |
1 |
0 |
0.000 |
57 |
|
N |
28 |
8 |
7785 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
8154 |
192.2 |
-0.6 |
0.490 |
2 |
1 |
0 |
0.000 |
58 |
|
L |
24 |
7 |
8010 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
14 |
6 |
7870 |
169.3 |
-0.3 |
0.631 |
3 |
1 |
0 |
0.000 |
| Average: |
208.5 |
-0.1 |
0.613 |
2 |
1 |
0 |
0.000 |
| 8 |
59 |
|
P |
14 |
5 |
7987 |
◊ |
G |
x,y,z-1 |
1_554 |
18 |
4 |
7893 |
166.6 |
0.4 |
0.746 |
1 |
1 |
0 |
0.000 |
60 |
|
J |
17 |
5 |
7967 |
◊ |
H |
x,y,z |
1_555 |
16 |
4 |
7973 |
158.7 |
0.5 |
0.728 |
1 |
2 |
0 |
0.000 |
61 |
|
I |
14 |
4 |
8031 |
◊ |
F |
x,y,z-1 |
1_554 |
14 |
5 |
7996 |
153.1 |
0.0 |
0.685 |
2 |
2 |
0 |
0.000 |
| Average: |
159.5 |
0.3 |
0.720 |
1 |
2 |
0 |
0.000 |
| 9 |
62 |
|
O |
15 |
6 |
8092 |
◊ |
R |
-y,x-y+1,z+1/3 |
2_565 |
18 |
5 |
8032 |
144.7 |
-0.0 |
0.460 |
1 |
0 |
0 |
0.000 |
63 |
|
M |
14 |
7 |
8124 |
◊ |
L |
x,y,z-1 |
1_554 |
11 |
4 |
8010 |
103.6 |
-0.9 |
0.467 |
0 |
1 |
0 |
0.000 |
64 |
|
N |
5 |
4 |
7785 |
◊ |
K |
x,y,z-1 |
1_554 |
5 |
3 |
7879 |
28.7 |
-0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
| Average: |
92.3 |
-0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 10 |
65 |
|
P |
18 |
5 |
7987 |
◊ |
K |
x,y,z-1 |
1_554 |
18 |
4 |
7879 |
135.5 |
-0.9 |
0.568 |
0 |
0 |
0 |
0.000 |
66 |
|
M |
12 |
3 |
8124 |
◊ |
F |
x,y,z-1 |
1_554 |
14 |
5 |
7996 |
123.4 |
-0.7 |
0.518 |
0 |
1 |
0 |
0.000 |
67 |
|
O |
12 |
2 |
8092 |
◊ |
J |
x,y,z |
1_555 |
16 |
5 |
7967 |
112.4 |
-0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
| Average: |
123.8 |
-0.5 |
0.576 |
0 |
0 |
0 |
0.000 |
| 11 |
68 |
|
[SO4]I:202 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
14 |
5 |
8031 |
104.6 |
-14.1 |
0.904 |
4 |
0 |
0 |
0.058 |
| 12 |
69 |
|
[SO4]O:202 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
13 |
5 |
8092 |
99.1 |
-13.4 |
0.917 |
4 |
0 |
0 |
0.055 |
| 13 |
70 |
|
[SO4]N:202 |
5 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
14 |
5 |
7785 |
97.1 |
-13.5 |
0.920 |
3 |
0 |
0 |
0.049 |
| 14 |
71 |
|
[SO4]L:202 |
5 |
1 |
187 |
f |
L |
x,y,z |
1_555 |
14 |
5 |
8010 |
96.6 |
-13.8 |
0.915 |
3 |
0 |
0 |
0.050 |
| 15 |
72 |
|
[SO4]H:202 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
7973 |
94.2 |
-13.8 |
0.876 |
6 |
0 |
0 |
0.053 |
| 16 |
73 |
|
[SO4]K:202 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
7 |
4 |
7879 |
93.9 |
-13.8 |
0.907 |
4 |
0 |
0 |
0.055 |
| 17 |
74 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
7870 |
93.1 |
-13.3 |
0.925 |
5 |
0 |
0 |
0.051 |
| 18 |
75 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
8133 |
93.1 |
-13.9 |
0.872 |
3 |
0 |
0 |
0.051 |
| 19 |
76 |
|
[SO4]B:202 |
5 |
1 |
186 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
8154 |
93.0 |
-13.8 |
0.874 |
3 |
0 |
0 |
0.051 |
| 20 |
77 |
|
[SO4]R:402 |
5 |
1 |
186 |
f |
R |
x,y,z |
1_555 |
12 |
5 |
8032 |
92.3 |
-13.9 |
0.885 |
4 |
0 |
0 |
0.053 |
| 21 |
78 |
|
[SO4]Q:202 |
5 |
1 |
188 |
f |
Q |
x,y,z |
1_555 |
13 |
5 |
8074 |
92.3 |
-14.1 |
0.883 |
3 |
0 |
0 |
0.055 |
| 22 |
79 |
|
[SO4]G:202 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
7893 |
92.2 |
-13.8 |
0.903 |
6 |
0 |
0 |
0.068 |
| 23 |
80 |
|
[SO4]D:202 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
8119 |
91.4 |
-13.5 |
0.857 |
5 |
0 |
0 |
0.068 |
| 24 |
81 |
|
[SO4]P:202 |
5 |
1 |
188 |
f |
P |
x,y,z |
1_555 |
9 |
5 |
7987 |
91.4 |
-13.7 |
0.921 |
2 |
0 |
0 |
0.052 |
| 25 |
82 |
|
[SO4]E:202 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
8091 |
91.2 |
-13.5 |
0.878 |
3 |
0 |
0 |
0.050 |
| 26 |
83 |
|
[SO4]M:202 |
5 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
11 |
5 |
8124 |
89.9 |
-13.1 |
0.883 |
5 |
0 |
0 |
0.056 |
| 27 |
84 |
|
[SO4]F:202 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
7996 |
89.7 |
-13.1 |
0.913 |
3 |
0 |
0 |
0.053 |
| 28 |
85 |
|
[SO4]J:202 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
12 |
5 |
7967 |
89.4 |
-13.4 |
0.881 |
4 |
0 |
0 |
0.060 |
| 29 |
86 |
|
[SO4]M:202 |
4 |
1 |
187 |
◊ |
N |
x,y,z |
1_555 |
9 |
2 |
7785 |
58.1 |
-7.9 |
0.763 |
0 |
0 |
0 |
0.000 |
| 30 |
87 |
|
[SO4]J:202 |
4 |
1 |
188 |
◊ |
H |
-x,-x+y,-z+1/3 |
6_555 |
9 |
2 |
7973 |
56.0 |
-7.0 |
0.766 |
0 |
0 |
0 |
0.000 |
| 31 |
88 |
|
[SO4]D:202 |
4 |
1 |
187 |
◊ |
M |
x,y,z |
1_555 |
8 |
2 |
8124 |
54.1 |
-7.4 |
0.709 |
0 |
0 |
0 |
0.000 |
| 32 |
89 |
|
[SO4]B:202 |
4 |
1 |
186 |
◊ |
O |
x,y,z |
1_555 |
9 |
2 |
8092 |
53.7 |
-7.0 |
0.701 |
0 |
0 |
0 |
0.000 |
| 33 |
90 |
|
[SO4]F:202 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
7893 |
53.2 |
-7.2 |
0.805 |
2 |
0 |
0 |
0.000 |
| 34 |
91 |
|
[SO4]P:202 |
4 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
8031 |
52.8 |
-7.0 |
0.701 |
0 |
0 |
0 |
0.000 |
| 35 |
92 |
|
R |
8 |
2 |
8032 |
◊ |
[SO4]O:202 |
y-1,x,-z |
4_455 |
5 |
1 |
185 |
51.7 |
-6.5 |
0.650 |
0 |
0 |
0 |
0.000 |
| 36 |
93 |
|
J |
8 |
2 |
7967 |
◊ |
[SO4]E:202 |
-y,x-y+1,z+1/3 |
2_565 |
4 |
1 |
184 |
51.5 |
-6.6 |
0.775 |
0 |
0 |
0 |
0.000 |
| 37 |
94 |
|
[SO4]Q:202 |
4 |
1 |
188 |
◊ |
K |
x,y,z |
1_555 |
7 |
2 |
7879 |
51.3 |
-6.6 |
0.703 |
0 |
0 |
0 |
0.000 |
| 38 |
95 |
|
[SO4]H:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
8133 |
51.0 |
-6.3 |
0.661 |
0 |
0 |
0 |
0.000 |
| 39 |
96 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
7996 |
50.6 |
-6.3 |
0.690 |
0 |
0 |
0 |
0.000 |
| 40 |
97 |
|
[SO4]I:202 |
5 |
1 |
186 |
◊ |
D |
x-y,-y,-z-1/3 |
5_554 |
8 |
2 |
8119 |
49.5 |
-6.4 |
0.684 |
0 |
0 |
0 |
0.000 |
| 41 |
98 |
|
[SO4]G:202 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
8091 |
48.7 |
-6.2 |
0.668 |
0 |
0 |
0 |
0.000 |
| 42 |
99 |
|
[SO4]C:202 |
4 |
1 |
187 |
◊ |
P |
x,y,z |
1_555 |
7 |
2 |
7987 |
48.1 |
-6.8 |
0.683 |
0 |
0 |
0 |
0.000 |
| 43 |
100 |
|
[SO4]K:202 |
4 |
1 |
187 |
◊ |
L |
x,y,z |
1_555 |
8 |
2 |
8010 |
48.1 |
-6.6 |
0.731 |
0 |
0 |
0 |
0.000 |
| 44 |
101 |
|
[SO4]N:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
8154 |
47.9 |
-6.5 |
0.717 |
0 |
0 |
0 |
0.000 |
| 45 |
102 |
|
[SO4]R:402 |
4 |
1 |
186 |
◊ |
Q |
x,y,z |
1_555 |
6 |
2 |
8074 |
47.4 |
-5.9 |
0.645 |
0 |
0 |
0 |
0.000 |
| 46 |
103 |
|
[SO4]L:202 |
4 |
1 |
187 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
6 |
2 |
7870 |
35.9 |
-4.5 |
0.733 |
0 |
0 |
0 |
0.000 |
| 47 |
104 |
|
[APR]K:201 |
2 |
1 |
724 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
7893 |
11.5 |
-0.6 |
0.284 |
0 |
0 |
0 |
0.000 |
105 |
|
[APR]N:201 |
1 |
1 |
712 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
7987 |
5.9 |
-0.4 |
0.332 |
0 |
0 |
0 |
0.000 |
106 |
|
[APR]M:201 |
2 |
1 |
728 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
8031 |
5.2 |
-0.2 |
0.401 |
0 |
0 |
0 |
0.000 |
| Average: |
7.5 |
-0.4 |
0.339 |
0 |
0 |
0 |
0.000 |
| 48 |
107 |
|
[APR]M:201 |
1 |
1 |
728 |
◊ |
[APR]I:201 |
x,y,z |
1_555 |
2 |
1 |
702 |
1.7 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
|