## |
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 |
295 |
72 |
12598 |
◊ |
A |
x,y,z |
1_555 |
288 |
66 |
13287 |
2789.9 |
-25.4 |
0.208 |
36 |
8 |
0 |
0.823 |
2 |
|
D |
285 |
69 |
12964 |
◊ |
B |
x,y,z |
1_555 |
272 |
66 |
13322 |
2772.3 |
-23.6 |
0.203 |
29 |
7 |
0 |
0.823 |
3 |
|
F |
270 |
68 |
12853 |
◊ |
E |
x,y,z |
1_555 |
279 |
67 |
13064 |
2706.1 |
-31.4 |
0.116 |
27 |
4 |
0 |
0.823 |
4 |
|
G |
270 |
68 |
12756 |
◊ |
C |
x,y,z |
1_555 |
280 |
68 |
13051 |
2613.1 |
-29.7 |
0.147 |
24 |
4 |
0 |
0.823 |
Average: |
2720.3 |
-27.5 |
0.169 |
29 |
6 |
0 |
0.823 |
2 |
5 |
|
P |
114 |
22 |
4991 |
◊ |
O |
x,y,z |
1_555 |
114 |
22 |
5012 |
1071.6 |
-17.2 |
0.540 |
84 |
0 |
0 |
1.000 |
6 |
|
N |
116 |
22 |
4967 |
◊ |
M |
x,y,z |
1_555 |
115 |
22 |
5001 |
1064.4 |
-17.5 |
0.591 |
85 |
0 |
0 |
1.000 |
7 |
|
J |
111 |
22 |
4970 |
◊ |
I |
x,y,z |
1_555 |
112 |
22 |
5005 |
1060.1 |
-18.7 |
0.513 |
84 |
0 |
0 |
1.000 |
8 |
|
L |
108 |
22 |
4973 |
◊ |
K |
x,y,z |
1_555 |
114 |
22 |
5008 |
1046.1 |
-17.7 |
0.551 |
81 |
0 |
0 |
1.000 |
Average: |
1060.6 |
-17.7 |
0.549 |
84 |
0 |
0 |
1.000 |
3 |
9 |
|
K |
76 |
7 |
5008 |
◊ |
D |
x,y,z |
1_555 |
88 |
33 |
12964 |
740.4 |
-10.2 |
0.333 |
14 |
0 |
0 |
0.793 |
10 |
|
M |
75 |
7 |
5001 |
◊ |
H |
x,y,z |
1_555 |
94 |
35 |
12598 |
737.4 |
-8.7 |
0.367 |
14 |
0 |
0 |
0.793 |
11 |
|
I |
62 |
6 |
5005 |
◊ |
G |
x,y,z |
1_555 |
83 |
35 |
12756 |
630.1 |
-13.7 |
0.225 |
11 |
0 |
0 |
0.793 |
Average: |
702.7 |
-10.9 |
0.308 |
13 |
0 |
0 |
0.793 |
4 |
12 |
|
J |
65 |
7 |
4970 |
◊ |
C |
x,y,z |
1_555 |
83 |
32 |
13051 |
677.0 |
-14.5 |
0.213 |
13 |
0 |
0 |
0.838 |
13 |
|
P |
64 |
7 |
4991 |
◊ |
F |
x,y,z |
1_555 |
89 |
32 |
12853 |
633.8 |
-12.8 |
0.259 |
11 |
0 |
0 |
0.838 |
Average: |
655.4 |
-13.7 |
0.236 |
12 |
0 |
0 |
0.838 |
5 |
14 |
|
L |
65 |
7 |
4973 |
◊ |
B |
x,y,z |
1_555 |
90 |
33 |
13322 |
673.1 |
-11.2 |
0.358 |
14 |
0 |
0 |
0.791 |
15 |
|
N |
67 |
7 |
4967 |
◊ |
A |
x,y,z |
1_555 |
91 |
32 |
13287 |
665.1 |
-10.6 |
0.396 |
15 |
0 |
0 |
0.791 |
Average: |
669.1 |
-10.9 |
0.377 |
15 |
0 |
0 |
0.791 |
6 |
16 |
|
O |
57 |
6 |
5012 |
◊ |
E |
x,y,z |
1_555 |
79 |
31 |
13064 |
624.6 |
-11.3 |
0.200 |
12 |
0 |
0 |
0.753 |
7 |
17 |
|
E |
66 |
21 |
13064 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
64 |
16 |
13322 |
605.1 |
-3.1 |
0.556 |
4 |
8 |
0 |
0.136 |
18 |
|
G |
64 |
20 |
12756 |
◊ |
A |
x-1,y,z |
1_455 |
61 |
17 |
13287 |
581.8 |
-4.7 |
0.463 |
3 |
8 |
0 |
0.136 |
Average: |
593.4 |
-3.9 |
0.509 |
4 |
8 |
0 |
0.136 |
8 |
19 |
|
K |
54 |
9 |
5008 |
◊ |
B |
x,y,z |
1_555 |
56 |
15 |
13322 |
478.4 |
-0.6 |
0.741 |
11 |
0 |
0 |
0.036 |
20 |
|
M |
57 |
9 |
5001 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
13287 |
477.7 |
-0.6 |
0.763 |
10 |
0 |
0 |
0.036 |
21 |
|
I |
50 |
9 |
5005 |
◊ |
C |
x,y,z |
1_555 |
50 |
16 |
13051 |
464.8 |
-1.4 |
0.664 |
9 |
0 |
0 |
0.036 |
Average: |
473.7 |
-0.9 |
0.722 |
10 |
0 |
0 |
0.036 |
9 |
22 |
|
N |
53 |
8 |
4967 |
◊ |
H |
x,y,z |
1_555 |
51 |
17 |
12598 |
471.7 |
-2.7 |
0.658 |
8 |
0 |
0 |
0.081 |
23 |
|
L |
51 |
8 |
4973 |
◊ |
D |
x,y,z |
1_555 |
51 |
16 |
12964 |
465.5 |
-2.2 |
0.673 |
8 |
0 |
0 |
0.081 |
24 |
|
P |
46 |
9 |
4991 |
◊ |
E |
x,y,z |
1_555 |
47 |
15 |
13064 |
417.1 |
-1.8 |
0.711 |
9 |
0 |
0 |
0.081 |
25 |
|
J |
45 |
8 |
4970 |
◊ |
G |
x,y,z |
1_555 |
44 |
12 |
12756 |
392.0 |
-0.9 |
0.759 |
8 |
0 |
0 |
0.081 |
Average: |
436.6 |
-1.9 |
0.700 |
8 |
0 |
0 |
0.081 |
10 |
26 |
|
O |
45 |
9 |
5012 |
◊ |
F |
x,y,z |
1_555 |
48 |
13 |
12853 |
403.4 |
-0.1 |
0.722 |
9 |
0 |
0 |
0.025 |
11 |
27 |
|
F |
36 |
11 |
12853 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
11 |
13322 |
382.6 |
-1.2 |
0.574 |
2 |
2 |
0 |
0.020 |
28 |
|
A |
37 |
10 |
13287 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
34 |
11 |
13051 |
361.4 |
-1.1 |
0.579 |
2 |
2 |
0 |
0.020 |
Average: |
372.0 |
-1.2 |
0.577 |
2 |
2 |
0 |
0.020 |
12 |
29 |
|
E |
38 |
10 |
13064 |
◊ |
D |
x,y,z |
1_555 |
45 |
13 |
12964 |
360.1 |
-2.2 |
0.430 |
2 |
1 |
0 |
0.000 |
30 |
|
H |
41 |
11 |
12598 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
34 |
8 |
12756 |
334.5 |
-3.9 |
0.345 |
0 |
0 |
0 |
0.000 |
Average: |
347.3 |
-3.1 |
0.387 |
1 |
1 |
0 |
0.000 |
13 |
31 |
|
F |
35 |
8 |
12853 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
34 |
9 |
12964 |
317.0 |
-2.3 |
0.434 |
2 |
0 |
0 |
0.034 |
32 |
|
H |
33 |
9 |
12598 |
◊ |
C |
x,y,z |
1_555 |
35 |
8 |
13051 |
314.3 |
-1.4 |
0.528 |
1 |
0 |
0 |
0.034 |
Average: |
315.7 |
-1.8 |
0.481 |
2 |
0 |
0 |
0.034 |
14 |
33 |
|
C |
25 |
6 |
13051 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
12 |
13287 |
280.8 |
-2.1 |
0.441 |
2 |
0 |
0 |
0.026 |
34 |
|
F |
23 |
8 |
12853 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
11 |
13322 |
234.2 |
-1.6 |
0.481 |
3 |
0 |
0 |
0.026 |
Average: |
257.5 |
-1.8 |
0.461 |
3 |
0 |
0 |
0.026 |
15 |
35 |
|
F |
29 |
7 |
12853 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
18 |
6 |
13064 |
213.6 |
-0.8 |
0.495 |
2 |
0 |
0 |
0.000 |
36 |
|
C |
25 |
7 |
13051 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
17 |
6 |
12756 |
212.1 |
-2.1 |
0.334 |
1 |
0 |
0 |
0.000 |
37 |
|
H |
20 |
5 |
12598 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
17 |
6 |
13287 |
158.6 |
-2.3 |
0.262 |
1 |
0 |
0 |
0.000 |
38 |
|
D |
16 |
4 |
12964 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
7 |
13322 |
124.1 |
-1.3 |
0.381 |
1 |
0 |
0 |
0.000 |
Average: |
177.1 |
-1.6 |
0.368 |
1 |
0 |
0 |
0.000 |
16 |
39 |
|
O |
18 |
2 |
5012 |
◊ |
N |
x-1,y,z |
1_455 |
23 |
3 |
4967 |
176.7 |
0.8 |
0.700 |
0 |
0 |
0 |
0.000 |
17 |
40 |
|
J |
23 |
2 |
4970 |
◊ |
L |
x-1,y,z-1 |
1_454 |
22 |
3 |
4973 |
176.6 |
-1.7 |
0.629 |
0 |
0 |
0 |
0.000 |
18 |
41 |
|
M |
19 |
3 |
5001 |
◊ |
P |
x,y,z-1 |
1_554 |
18 |
3 |
4991 |
160.5 |
-1.5 |
0.591 |
0 |
0 |
0 |
0.000 |
19 |
42 |
|
K |
16 |
2 |
5008 |
◊ |
I |
x,y,z |
1_555 |
18 |
3 |
5005 |
151.6 |
-1.1 |
0.457 |
1 |
0 |
0 |
0.000 |
20 |
43 |
|
P |
22 |
2 |
4991 |
◊ |
M |
x-1,y,z |
1_455 |
15 |
1 |
5001 |
145.0 |
0.6 |
0.720 |
0 |
0 |
0 |
0.000 |
21 |
44 |
|
L |
17 |
1 |
4973 |
◊ |
J |
x,y,z |
1_555 |
23 |
2 |
4970 |
144.6 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
22 |
45 |
|
I |
16 |
2 |
5005 |
◊ |
K |
x-1,y,z-1 |
1_454 |
14 |
2 |
5008 |
129.2 |
1.7 |
0.755 |
1 |
0 |
0 |
0.000 |
23 |
46 |
|
B |
12 |
3 |
13322 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
12964 |
115.9 |
-2.1 |
0.235 |
1 |
0 |
0 |
0.042 |
47 |
|
E |
13 |
4 |
13064 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
12853 |
114.6 |
-2.5 |
0.215 |
0 |
0 |
0 |
0.042 |
48 |
|
A |
13 |
3 |
13287 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
12598 |
110.2 |
-1.9 |
0.251 |
1 |
0 |
0 |
0.042 |
49 |
|
G |
11 |
4 |
12756 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
10 |
3 |
13051 |
109.0 |
-2.4 |
0.181 |
0 |
0 |
0 |
0.042 |
Average: |
112.4 |
-2.2 |
0.220 |
1 |
0 |
0 |
0.042 |
24 |
50 |
|
N |
14 |
2 |
4967 |
◊ |
O |
x,y,z-1 |
1_554 |
13 |
2 |
5012 |
115.0 |
-1.3 |
0.554 |
0 |
0 |
0 |
0.000 |
25 |
51 |
|
C |
14 |
4 |
13051 |
x |
C |
-x,y-1/2,-z |
2_545 |
16 |
5 |
13051 |
114.2 |
-1.4 |
0.339 |
1 |
0 |
0 |
0.000 |
52 |
|
F |
14 |
4 |
12853 |
x |
F |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
12853 |
110.5 |
-1.3 |
0.333 |
1 |
0 |
0 |
0.000 |
53 |
|
H |
15 |
6 |
12598 |
x |
H |
-x+1,y-1/2,-z |
2_645 |
12 |
5 |
12598 |
106.1 |
-1.6 |
0.335 |
0 |
0 |
0 |
0.000 |
54 |
|
D |
10 |
4 |
12964 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12964 |
93.8 |
-2.6 |
0.179 |
0 |
0 |
0 |
0.000 |
Average: |
106.1 |
-1.7 |
0.297 |
1 |
0 |
0 |
0.000 |
26 |
55 |
|
P |
17 |
3 |
4991 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
12964 |
91.3 |
-1.2 |
0.587 |
0 |
0 |
0 |
0.000 |
56 |
|
H |
6 |
2 |
12598 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
14 |
3 |
4970 |
88.5 |
-2.1 |
0.472 |
1 |
0 |
0 |
0.000 |
Average: |
89.9 |
-1.7 |
0.530 |
1 |
0 |
0 |
0.000 |
27 |
57 |
|
[PO4]F:216 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
18 |
6 |
12853 |
89.8 |
-5.9 |
0.768 |
3 |
0 |
0 |
0.241 |
28 |
58 |
|
N |
12 |
1 |
4967 |
◊ |
P |
x,y,z-1 |
1_554 |
12 |
1 |
4991 |
88.8 |
3.1 |
0.857 |
0 |
0 |
0 |
0.000 |
29 |
59 |
|
[PO4]H:216 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
12598 |
82.3 |
-5.5 |
0.769 |
3 |
0 |
0 |
0.314 |
30 |
60 |
|
[PO4]D:216 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
12964 |
81.1 |
-5.2 |
0.805 |
3 |
0 |
0 |
0.250 |
31 |
61 |
|
[PO4]E:215 |
4 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
13064 |
72.2 |
-4.6 |
0.651 |
2 |
0 |
0 |
0.247 |
32 |
62 |
|
[PO4]G:215 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
12756 |
70.2 |
-4.4 |
0.676 |
1 |
0 |
0 |
0.207 |
33 |
63 |
|
J |
10 |
1 |
4970 |
◊ |
K |
x-1,y,z-1 |
1_454 |
9 |
1 |
5008 |
68.0 |
1.2 |
0.705 |
0 |
0 |
0 |
0.000 |
34 |
64 |
|
[PO4]H:215 |
5 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
12598 |
66.4 |
-2.0 |
0.957 |
3 |
0 |
0 |
0.064 |
35 |
65 |
|
[PO4]A:215 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13287 |
65.4 |
-2.8 |
0.906 |
4 |
0 |
0 |
0.209 |
36 |
66 |
|
[PO4]B:216 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13322 |
63.9 |
-3.0 |
0.887 |
4 |
0 |
0 |
0.197 |
37 |
67 |
|
[PO4]D:215 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
12964 |
62.4 |
-2.7 |
0.870 |
1 |
0 |
0 |
0.122 |
38 |
68 |
|
[PO4]F:215 |
4 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
12853 |
60.8 |
-3.7 |
0.771 |
2 |
0 |
0 |
0.151 |
39 |
69 |
|
[PO4]H:215 |
4 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
13051 |
56.9 |
-3.5 |
0.669 |
1 |
0 |
0 |
0.162 |
40 |
70 |
|
[PO4]F:216 |
4 |
1 |
188 |
◊ |
O |
x,y,z |
1_555 |
7 |
3 |
5012 |
54.6 |
-2.7 |
0.795 |
1 |
0 |
0 |
0.019 |
41 |
71 |
|
A |
4 |
1 |
13287 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
7 |
2 |
5005 |
52.5 |
-2.7 |
0.160 |
0 |
0 |
0 |
0.000 |
72 |
|
O |
3 |
1 |
5012 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13322 |
4.0 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
28.3 |
-1.4 |
0.359 |
0 |
0 |
0 |
0.000 |
42 |
73 |
|
A |
2 |
1 |
13287 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
11 |
2 |
4970 |
51.9 |
0.5 |
0.760 |
1 |
0 |
0 |
0.000 |
74 |
|
P |
10 |
2 |
4991 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
13322 |
49.6 |
-0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
Average: |
50.7 |
0.2 |
0.718 |
1 |
0 |
0 |
0.000 |
43 |
75 |
|
E |
7 |
4 |
13064 |
x |
E |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
13064 |
51.4 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
76 |
|
G |
7 |
4 |
12756 |
x |
G |
-x,y-1/2,-z |
2_545 |
9 |
3 |
12756 |
46.5 |
-0.2 |
0.526 |
0 |
0 |
0 |
0.000 |
77 |
|
A |
5 |
2 |
13287 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
13287 |
43.1 |
-0.5 |
0.438 |
0 |
0 |
0 |
0.000 |
78 |
|
B |
1 |
1 |
13322 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
13322 |
3.6 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
Average: |
36.1 |
-0.2 |
0.482 |
0 |
0 |
0 |
0.000 |
44 |
79 |
|
F |
5 |
2 |
12853 |
◊ |
[PO4]D:215 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
189 |
46.0 |
-2.6 |
0.706 |
0 |
0 |
0 |
0.004 |
45 |
80 |
|
P |
7 |
1 |
4991 |
◊ |
N |
x-1,y,z |
1_455 |
6 |
1 |
4967 |
44.7 |
-0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
46 |
81 |
|
L |
7 |
1 |
4973 |
◊ |
I |
x,y,z |
1_555 |
8 |
1 |
5005 |
44.1 |
1.2 |
0.712 |
1 |
0 |
0 |
0.000 |
47 |
82 |
|
[PO4]B:215 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13322 |
43.9 |
-1.1 |
0.959 |
2 |
0 |
0 |
0.083 |
48 |
83 |
|
[PO4]H:216 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13051 |
37.7 |
-0.6 |
0.969 |
2 |
0 |
0 |
0.028 |
49 |
84 |
|
J |
3 |
1 |
4970 |
◊ |
K |
x,y,z |
1_555 |
5 |
1 |
5008 |
31.7 |
-2.3 |
0.276 |
0 |
0 |
0 |
0.000 |
50 |
85 |
|
F |
1 |
1 |
12853 |
◊ |
[PO4]D:216 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
187 |
31.7 |
-0.7 |
0.964 |
1 |
0 |
0 |
0.002 |
51 |
86 |
|
I |
5 |
1 |
5005 |
◊ |
L |
x-1,y,z-1 |
1_454 |
3 |
1 |
4973 |
27.8 |
-0.9 |
0.405 |
0 |
0 |
0 |
0.000 |
52 |
87 |
|
O |
5 |
1 |
5012 |
◊ |
M |
x-1,y,z |
1_455 |
4 |
1 |
5001 |
26.1 |
-0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
53 |
88 |
|
E |
2 |
1 |
13064 |
◊ |
[PO4]B:215 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
189 |
22.9 |
-1.2 |
0.786 |
0 |
0 |
0 |
0.022 |
54 |
89 |
|
P |
3 |
1 |
4991 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
4 |
12964 |
15.9 |
0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
90 |
|
H |
3 |
2 |
12598 |
◊ |
J |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
4970 |
15.7 |
0.4 |
0.647 |
0 |
0 |
0 |
0.000 |
Average: |
15.8 |
0.4 |
0.654 |
0 |
0 |
0 |
0.000 |
55 |
91 |
|
O |
3 |
1 |
5012 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
13322 |
14.8 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.000 |
92 |
|
A |
3 |
2 |
13287 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
5 |
2 |
5005 |
13.7 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
14.3 |
-0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
56 |
93 |
|
E |
1 |
1 |
13064 |
◊ |
[PO4]B:216 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
188 |
11.9 |
-0.8 |
0.422 |
0 |
0 |
0 |
0.015 |
57 |
94 |
|
G |
2 |
2 |
12756 |
◊ |
[PO4]A:215 |
x-1,y,z |
1_455 |
2 |
1 |
188 |
11.0 |
-0.7 |
0.622 |
0 |
0 |
0 |
0.014 |
58 |
95 |
|
F |
1 |
1 |
12853 |
◊ |
[PO4]B:216 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
188 |
6.7 |
-0.2 |
0.886 |
0 |
0 |
0 |
0.002 |
59 |
96 |
|
H |
1 |
1 |
12598 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13051 |
6.2 |
0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
60 |
97 |
|
[PO4]F:216 |
1 |
1 |
188 |
◊ |
P |
x,y,z |
1_555 |
2 |
2 |
4991 |
4.9 |
-0.5 |
0.503 |
0 |
0 |
0 |
0.018 |
61 |
98 |
|
A |
2 |
1 |
13287 |
◊ |
K |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
5008 |
4.2 |
-0.3 |
0.302 |
0 |
0 |
0 |
0.000 |
62 |
99 |
|
C |
1 |
1 |
13051 |
◊ |
[PO4]A:215 |
x-1,y,z |
1_455 |
1 |
1 |
188 |
2.9 |
-0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
63 |
100 |
|
A |
1 |
1 |
13287 |
◊ |
[PO4]H:215 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
189 |
0.8 |
-0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
64 |
101 |
|
M |
1 |
1 |
5001 |
◊ |
O |
x,y,z-1 |
1_554 |
1 |
1 |
5012 |
0.3 |
0.0 |
0.442 |
0 |
0 |
0 |
0.000 |
|