## |
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 |
124 |
34 |
11485 |
◊ |
E |
x,y,z |
1_555 |
126 |
36 |
12299 |
1190.5 |
-12.6 |
0.341 |
13 |
0 |
0 |
0.427 |
2 |
|
H |
122 |
32 |
12033 |
◊ |
F |
x,y,z |
1_555 |
121 |
33 |
12146 |
1180.6 |
-12.9 |
0.248 |
14 |
0 |
0 |
0.427 |
3 |
|
G |
121 |
31 |
11973 |
◊ |
B |
y,x,-z-1/3 |
7_554 |
118 |
31 |
12341 |
1174.9 |
-12.6 |
0.262 |
13 |
0 |
0 |
0.427 |
4 |
|
A |
121 |
32 |
12297 |
◊ |
A |
y,x,-z-1/3 |
7_554 |
119 |
32 |
12297 |
1136.3 |
-12.8 |
0.165 |
14 |
0 |
0 |
0.427 |
5 |
|
D |
126 |
32 |
12313 |
◊ |
C |
x-y-1,-y-1,-z |
8_445 |
121 |
32 |
12387 |
1134.7 |
-13.7 |
0.171 |
16 |
0 |
0 |
0.427 |
Average: |
1163.4 |
-12.9 |
0.238 |
14 |
0 |
0 |
0.427 |
2 |
6 |
|
J |
100 |
27 |
2861 |
◊ |
A |
x,y,z |
1_555 |
109 |
31 |
12297 |
1027.7 |
-16.3 |
0.237 |
12 |
3 |
0 |
0.656 |
7 |
|
O |
79 |
21 |
2462 |
◊ |
F |
x,y,z |
1_555 |
98 |
31 |
12146 |
859.4 |
-13.0 |
0.289 |
10 |
2 |
0 |
0.656 |
8 |
|
L |
81 |
22 |
2509 |
◊ |
C |
x,y,z |
1_555 |
94 |
26 |
12387 |
840.4 |
-15.1 |
0.273 |
11 |
0 |
0 |
0.656 |
9 |
|
M |
68 |
18 |
2299 |
◊ |
D |
x,y,z |
1_555 |
83 |
25 |
12313 |
731.9 |
-10.5 |
0.416 |
6 |
3 |
0 |
0.656 |
Average: |
864.9 |
-13.7 |
0.303 |
10 |
2 |
0 |
0.656 |
3 |
10 |
|
N |
78 |
20 |
2436 |
◊ |
E |
x,y,z |
1_555 |
87 |
29 |
12299 |
859.2 |
-14.2 |
0.284 |
8 |
3 |
0 |
0.660 |
4 |
11 |
|
Q |
69 |
22 |
2402 |
◊ |
H |
x,y,z |
1_555 |
86 |
26 |
12033 |
774.6 |
-14.2 |
0.383 |
8 |
0 |
0 |
0.545 |
5 |
12 |
|
P |
62 |
15 |
2006 |
◊ |
G |
x,y,z |
1_555 |
87 |
28 |
11973 |
647.5 |
-7.6 |
0.632 |
8 |
3 |
0 |
0.434 |
6 |
13 |
|
R |
51 |
14 |
1740 |
◊ |
I |
x,y,z |
1_555 |
68 |
22 |
11485 |
552.3 |
-7.7 |
0.514 |
6 |
0 |
0 |
0.407 |
14 |
|
K |
36 |
11 |
1501 |
◊ |
B |
x,y,z |
1_555 |
56 |
20 |
12341 |
483.2 |
-6.4 |
0.662 |
6 |
0 |
0 |
0.407 |
Average: |
517.8 |
-7.0 |
0.588 |
6 |
0 |
0 |
0.407 |
7 |
15 |
|
E |
45 |
14 |
12299 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
12387 |
396.1 |
-3.4 |
0.369 |
2 |
0 |
0 |
0.089 |
16 |
|
H |
35 |
9 |
12033 |
◊ |
C |
x-y-1,-y-1,-z |
8_445 |
43 |
14 |
12387 |
386.6 |
-3.1 |
0.434 |
3 |
0 |
0 |
0.089 |
17 |
|
G |
34 |
9 |
11973 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
12297 |
381.8 |
-3.9 |
0.258 |
3 |
0 |
0 |
0.089 |
18 |
|
D |
40 |
14 |
12313 |
◊ |
I |
x-y-1,-y-1,-z |
8_445 |
34 |
11 |
11485 |
378.3 |
-3.8 |
0.358 |
3 |
0 |
0 |
0.089 |
19 |
|
B |
43 |
14 |
12341 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
12297 |
375.6 |
-3.1 |
0.381 |
4 |
0 |
0 |
0.089 |
20 |
|
F |
40 |
14 |
12146 |
◊ |
D |
x,y,z |
1_555 |
34 |
10 |
12313 |
366.8 |
-3.3 |
0.342 |
4 |
0 |
0 |
0.089 |
Average: |
380.9 |
-3.4 |
0.357 |
3 |
0 |
0 |
0.089 |
8 |
21 |
|
J |
35 |
7 |
2861 |
◊ |
J |
x,x-y,-z-1/6 |
12_554 |
35 |
7 |
2861 |
296.8 |
-3.4 |
0.790 |
0 |
0 |
0 |
0.000 |
22 |
|
O |
29 |
6 |
2462 |
◊ |
O |
x,x-y-1,-z-1/6 |
12_544 |
29 |
6 |
2462 |
255.2 |
-4.6 |
0.576 |
0 |
0 |
0 |
0.000 |
Average: |
276.0 |
-4.0 |
0.683 |
0 |
0 |
0 |
0.000 |
9 |
23 |
|
P |
27 |
5 |
2006 |
◊ |
L |
x,y,z |
1_555 |
24 |
5 |
2509 |
233.8 |
-4.8 |
0.605 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
N |
26 |
5 |
2436 |
◊ |
R |
x-y,x,z-1/6 |
6_554 |
26 |
5 |
1740 |
227.0 |
-4.1 |
0.706 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
K |
20 |
5 |
1501 |
◊ |
M |
x,y,z |
1_555 |
25 |
5 |
2299 |
199.2 |
-4.2 |
0.723 |
0 |
0 |
0 |
0.000 |
12 |
26 |
|
Q |
21 |
5 |
2402 |
◊ |
Q |
-y-1,-x-1,-z+1/6 |
10_445 |
20 |
5 |
2402 |
181.4 |
-5.3 |
0.639 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
G |
19 |
9 |
11973 |
◊ |
G |
y,x,-z-1/3 |
7_554 |
19 |
9 |
11973 |
167.8 |
0.1 |
0.687 |
2 |
0 |
0 |
0.003 |
28 |
|
H |
11 |
6 |
12033 |
◊ |
I |
x-y-1,-y-1,-z |
8_445 |
12 |
6 |
11485 |
132.4 |
-0.5 |
0.573 |
0 |
0 |
0 |
0.003 |
Average: |
150.1 |
-0.2 |
0.630 |
1 |
0 |
0 |
0.003 |
14 |
29 |
|
[PO4]E:401 |
5 |
1 |
190 |
f |
E |
x,y,z |
1_555 |
25 |
12 |
12299 |
111.4 |
-7.1 |
0.755 |
5 |
0 |
0 |
0.340 |
15 |
30 |
|
[PO4]G:401 |
5 |
1 |
189 |
f |
G |
x,y,z |
1_555 |
21 |
13 |
11973 |
110.4 |
-7.1 |
0.711 |
5 |
0 |
0 |
0.348 |
16 |
31 |
|
[PO4]C:401 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
12387 |
109.5 |
-6.9 |
0.740 |
5 |
0 |
0 |
0.261 |
17 |
32 |
|
[PO4]H:401 |
5 |
1 |
190 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
12033 |
108.8 |
-7.1 |
0.742 |
5 |
0 |
0 |
0.285 |
18 |
33 |
|
[PO4]D:401 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
12313 |
108.5 |
-7.1 |
0.739 |
4 |
0 |
0 |
0.313 |
19 |
34 |
|
[PO4]A:401 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
12297 |
108.3 |
-7.0 |
0.736 |
5 |
0 |
0 |
0.356 |
20 |
35 |
|
[PO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
12341 |
108.3 |
-7.0 |
0.756 |
6 |
0 |
0 |
0.399 |
21 |
36 |
|
[PO4]I:401 |
5 |
1 |
188 |
f |
I |
x,y,z |
1_555 |
23 |
13 |
11485 |
108.2 |
-6.6 |
0.773 |
7 |
0 |
0 |
0.383 |
22 |
37 |
|
[PO4]F:401 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
23 |
12 |
12146 |
106.6 |
-7.1 |
0.716 |
5 |
0 |
0 |
0.344 |
23 |
38 |
|
F |
11 |
5 |
12146 |
◊ |
F |
x,x-y-1,-z-1/6 |
12_544 |
11 |
5 |
12146 |
94.9 |
-1.7 |
0.295 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
G |
12 |
5 |
11973 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
12387 |
81.0 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
40 |
|
E |
5 |
3 |
12299 |
◊ |
I |
x-y,x,z-1/6 |
6_554 |
5 |
3 |
11485 |
44.1 |
-1.0 |
0.307 |
0 |
0 |
0 |
0.000 |
41 |
|
D |
2 |
2 |
12313 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12341 |
15.6 |
-0.5 |
0.193 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
1 |
1 |
12297 |
◊ |
A |
x,x-y,-z-1/6 |
12_554 |
1 |
1 |
12297 |
14.5 |
-0.5 |
0.148 |
0 |
0 |
0 |
0.000 |
Average: |
38.8 |
-0.5 |
0.320 |
0 |
0 |
0 |
0.000 |
25 |
43 |
|
[PO4]G:402 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
11973 |
77.2 |
-4.0 |
0.792 |
4 |
0 |
0 |
0.218 |
26 |
44 |
|
[PO4]D:402 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
12313 |
76.0 |
-4.0 |
0.807 |
4 |
0 |
0 |
0.204 |
27 |
45 |
|
[PO4]B:402 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12341 |
75.9 |
-4.2 |
0.849 |
3 |
0 |
0 |
0.227 |
28 |
46 |
|
[PO4]C:402 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12387 |
73.1 |
-3.9 |
0.796 |
4 |
0 |
0 |
0.164 |
29 |
47 |
|
[PO4]H:402 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
12033 |
72.2 |
-4.2 |
0.810 |
3 |
0 |
0 |
0.170 |
30 |
48 |
|
[PO4]I:402 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
11485 |
72.1 |
-4.0 |
0.808 |
3 |
0 |
0 |
0.209 |
31 |
49 |
|
[PO4]A:402 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12297 |
70.3 |
-3.7 |
0.803 |
5 |
0 |
0 |
0.230 |
32 |
50 |
|
N |
5 |
3 |
2436 |
◊ |
E |
x,x-y,-z-1/6 |
12_554 |
7 |
2 |
12299 |
57.4 |
-1.0 |
0.459 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
P |
6 |
2 |
2006 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12387 |
49.6 |
0.6 |
0.833 |
0 |
0 |
0 |
0.000 |
34 |
52 |
|
O |
5 |
2 |
2462 |
◊ |
F |
x,x-y-1,-z-1/6 |
12_544 |
8 |
3 |
12146 |
48.8 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
53 |
|
J |
5 |
2 |
2861 |
◊ |
A |
x,x-y,-z-1/6 |
12_554 |
9 |
3 |
12297 |
41.3 |
0.5 |
0.797 |
0 |
0 |
0 |
0.000 |
54 |
|
N |
2 |
1 |
2436 |
◊ |
I |
x-y,x,z-1/6 |
6_554 |
5 |
2 |
11485 |
26.3 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
55 |
|
Q |
6 |
1 |
2402 |
◊ |
H |
-y-1,-x-1,-z+1/6 |
10_445 |
3 |
1 |
12033 |
23.5 |
0.0 |
0.819 |
0 |
0 |
0 |
0.000 |
56 |
|
L |
3 |
1 |
2509 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11973 |
15.2 |
-0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
57 |
|
M |
1 |
1 |
2299 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12341 |
9.3 |
0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
27.4 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
35 |
58 |
|
G |
7 |
4 |
11973 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12341 |
47.0 |
1.7 |
0.927 |
0 |
0 |
0 |
0.000 |
36 |
59 |
|
G |
5 |
3 |
11973 |
◊ |
A |
y,x,-z-1/3 |
7_554 |
8 |
4 |
12297 |
44.8 |
1.9 |
0.923 |
0 |
0 |
0 |
0.000 |
60 |
|
I |
6 |
3 |
11485 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12387 |
40.1 |
2.1 |
0.940 |
0 |
0 |
0 |
0.000 |
61 |
|
H |
6 |
3 |
12033 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
12313 |
36.7 |
2.0 |
0.938 |
0 |
0 |
0 |
0.000 |
Average: |
40.5 |
2.0 |
0.933 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
N |
9 |
3 |
2436 |
◊ |
N |
x,x-y,-z-1/6 |
12_554 |
9 |
3 |
2436 |
43.5 |
-0.8 |
0.747 |
1 |
0 |
0 |
0.000 |
38 |
63 |
|
O |
4 |
2 |
2462 |
◊ |
L |
x,x-y-1,-z-1/6 |
12_544 |
5 |
2 |
2509 |
40.6 |
-0.3 |
0.700 |
0 |
0 |
0 |
0.000 |
39 |
64 |
|
[PO4]A:402 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12341 |
39.1 |
-1.5 |
0.934 |
1 |
0 |
0 |
0.017 |
40 |
65 |
|
H |
4 |
2 |
12033 |
◊ |
H |
-y-1,-x-1,-z+1/6 |
10_445 |
4 |
2 |
12033 |
38.6 |
-0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
41 |
66 |
|
[PO4]D:402 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
12146 |
38.6 |
-1.4 |
0.951 |
2 |
0 |
0 |
0.011 |
42 |
67 |
|
[PO4]C:402 |
4 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
12299 |
37.0 |
-1.4 |
0.939 |
2 |
0 |
0 |
0.011 |
43 |
68 |
|
[PO4]H:402 |
4 |
1 |
188 |
◊ |
C |
x-y-1,-y-1,-z |
8_445 |
7 |
4 |
12387 |
35.8 |
-1.2 |
0.938 |
1 |
0 |
0 |
0.007 |
44 |
69 |
|
D |
7 |
4 |
12313 |
◊ |
[PO4]I:402 |
x-y-1,-y-1,-z |
8_445 |
4 |
1 |
187 |
34.8 |
-1.3 |
0.940 |
1 |
0 |
0 |
0.008 |
45 |
70 |
|
B |
5 |
1 |
12341 |
◊ |
A |
y,x,-z-1/3 |
7_554 |
5 |
1 |
12297 |
34.4 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
71 |
|
D |
5 |
1 |
12313 |
◊ |
E |
x-y-1,-y-1,-z |
8_445 |
5 |
1 |
12299 |
33.9 |
0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
72 |
|
F |
5 |
1 |
12146 |
◊ |
C |
x-y-1,-y-1,-z |
8_445 |
6 |
2 |
12387 |
33.7 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
Average: |
34.0 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
46 |
73 |
|
[PO4]G:402 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12297 |
33.3 |
-1.3 |
0.954 |
2 |
0 |
0 |
0.019 |
47 |
74 |
|
[PO4]B:402 |
4 |
1 |
189 |
◊ |
G |
y,x,-z-1/3 |
7_554 |
5 |
1 |
11973 |
33.0 |
-1.4 |
0.917 |
0 |
0 |
0 |
0.027 |
48 |
75 |
|
[PO4]G:402 |
4 |
1 |
188 |
◊ |
[PO4]A:402 |
y,x,-z-1/3 |
7_554 |
4 |
1 |
189 |
30.6 |
-2.9 |
0.973 |
0 |
0 |
0 |
0.025 |
49 |
76 |
|
[PO4]H:402 |
4 |
1 |
188 |
◊ |
[PO4]D:402 |
x,y,z |
1_555 |
4 |
1 |
188 |
30.1 |
-2.7 |
0.973 |
0 |
0 |
0 |
0.012 |
50 |
77 |
|
[PO4]I:402 |
4 |
1 |
187 |
◊ |
[PO4]C:402 |
x,y,z |
1_555 |
4 |
1 |
189 |
30.0 |
-2.7 |
0.973 |
0 |
0 |
0 |
0.012 |
51 |
78 |
|
[PO4]B:402 |
4 |
1 |
189 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
11973 |
29.4 |
-0.8 |
0.945 |
1 |
0 |
0 |
0.011 |
52 |
79 |
|
J |
1 |
1 |
2861 |
◊ |
E |
x,x-y,-z-1/6 |
12_554 |
4 |
2 |
12299 |
28.0 |
-0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
80 |
|
M |
1 |
1 |
2299 |
◊ |
B |
x,x-y,-z-1/6 |
12_554 |
2 |
1 |
12341 |
8.5 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
18.2 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
53 |
81 |
|
K |
2 |
1 |
1501 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12313 |
21.6 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
82 |
|
E |
2 |
1 |
12299 |
◊ |
R |
x-y,x,z-1/6 |
6_554 |
2 |
1 |
1740 |
13.4 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
54 |
83 |
|
[PO4]A:402 |
3 |
1 |
189 |
◊ |
A |
y,x,-z-1/3 |
7_554 |
3 |
1 |
12297 |
20.3 |
-0.8 |
0.937 |
1 |
0 |
0 |
0.047 |
55 |
84 |
|
O |
2 |
2 |
2462 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
2509 |
20.0 |
-0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
56 |
85 |
|
[PO4]G:402 |
4 |
1 |
188 |
◊ |
B |
y,x,-z-1/3 |
7_554 |
4 |
2 |
12341 |
19.4 |
-0.7 |
0.910 |
1 |
0 |
0 |
0.022 |
57 |
86 |
|
[PO4]H:402 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
12146 |
18.7 |
-0.6 |
0.908 |
1 |
0 |
0 |
0.024 |
58 |
87 |
|
D |
3 |
1 |
12313 |
◊ |
[PO4]C:402 |
x-y-1,-y-1,-z |
8_445 |
3 |
1 |
189 |
18.6 |
-0.7 |
0.923 |
1 |
0 |
0 |
0.023 |
59 |
88 |
|
[PO4]D:402 |
3 |
1 |
188 |
◊ |
C |
x-y-1,-y-1,-z |
8_445 |
4 |
2 |
12387 |
18.6 |
-0.5 |
0.933 |
1 |
0 |
0 |
0.019 |
60 |
89 |
|
[PO4]I:402 |
3 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
12299 |
18.5 |
-0.7 |
0.893 |
0 |
0 |
0 |
0.017 |
61 |
90 |
|
P |
4 |
2 |
2006 |
◊ |
C |
x,x-y-1,-z-1/6 |
12_544 |
5 |
2 |
12387 |
16.9 |
-0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
62 |
91 |
|
[PO4]I:402 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
12387 |
13.5 |
-0.7 |
0.743 |
0 |
0 |
0 |
0.003 |
63 |
92 |
|
E |
1 |
1 |
12299 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12297 |
12.6 |
-0.4 |
0.165 |
0 |
0 |
0 |
0.000 |
64 |
93 |
|
[PO4]A:402 |
4 |
1 |
189 |
◊ |
G |
y,x,-z-1/3 |
7_554 |
5 |
4 |
11973 |
11.6 |
-0.6 |
0.770 |
0 |
0 |
0 |
0.005 |
65 |
94 |
|
[PO4]C:402 |
2 |
1 |
189 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
11485 |
10.7 |
-0.6 |
0.723 |
0 |
0 |
0 |
0.003 |
66 |
95 |
|
[PO4]G:402 |
2 |
1 |
188 |
◊ |
A |
y,x,-z-1/3 |
7_554 |
4 |
3 |
12297 |
10.4 |
-0.5 |
0.772 |
0 |
0 |
0 |
0.004 |
67 |
96 |
|
[PO4]D:402 |
1 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
3 |
3 |
12033 |
10.2 |
-0.6 |
0.686 |
0 |
0 |
0 |
0.003 |
68 |
97 |
|
[PO4]H:402 |
2 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
12313 |
8.8 |
-0.5 |
0.745 |
0 |
0 |
0 |
0.002 |
69 |
98 |
|
[PO4]G:401 |
1 |
1 |
189 |
◊ |
B |
y,x,-z-1/3 |
7_554 |
2 |
1 |
12341 |
6.9 |
-0.3 |
0.758 |
0 |
0 |
0 |
0.007 |
70 |
99 |
|
J |
1 |
1 |
2861 |
◊ |
R |
x-y,x,z-1/6 |
6_554 |
1 |
1 |
1740 |
6.8 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
71 |
100 |
|
[PO4]H:401 |
1 |
1 |
190 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12146 |
6.3 |
-0.3 |
0.703 |
0 |
0 |
0 |
0.008 |
72 |
101 |
|
N |
1 |
1 |
2436 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
2861 |
4.5 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
73 |
102 |
|
P |
1 |
1 |
2006 |
◊ |
O |
x,x-y-1,-z-1/6 |
12_544 |
1 |
1 |
2462 |
3.1 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
74 |
103 |
|
A |
1 |
1 |
12297 |
◊ |
R |
x-y,x,z-1/6 |
6_554 |
2 |
1 |
1740 |
2.0 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|