| ## |
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 |
|
J |
98 |
25 |
8150 |
◊ |
F |
x,y,z |
1_555 |
122 |
36 |
8288 |
1100.4 |
-11.3 |
0.191 |
5 |
4 |
0 |
0.144 |
2 |
|
C |
123 |
37 |
8223 |
◊ |
B |
x,y,z |
1_555 |
98 |
25 |
8284 |
1098.2 |
-12.6 |
0.144 |
7 |
4 |
0 |
0.144 |
3 |
|
E |
119 |
37 |
8256 |
◊ |
D |
x,y,z |
1_555 |
97 |
25 |
8265 |
1096.2 |
-11.2 |
0.153 |
11 |
5 |
0 |
0.144 |
4 |
|
H |
121 |
36 |
8185 |
◊ |
G |
x,y,z |
1_555 |
103 |
25 |
8254 |
1095.8 |
-12.5 |
0.155 |
7 |
4 |
0 |
0.144 |
5 |
|
D |
113 |
37 |
8265 |
◊ |
C |
x,y,z |
1_555 |
100 |
25 |
8223 |
1086.0 |
-12.8 |
0.123 |
8 |
5 |
0 |
0.144 |
6 |
|
J |
120 |
35 |
8150 |
◊ |
I |
x,y,z |
1_555 |
93 |
25 |
8230 |
1075.3 |
-12.3 |
0.161 |
10 |
5 |
0 |
0.144 |
7 |
|
E |
96 |
26 |
8256 |
◊ |
A |
x,y,z |
1_555 |
122 |
37 |
8289 |
1073.3 |
-11.1 |
0.196 |
9 |
5 |
0 |
0.144 |
8 |
|
G |
119 |
36 |
8254 |
◊ |
F |
x,y,z |
1_555 |
98 |
25 |
8288 |
1070.8 |
-12.3 |
0.137 |
5 |
5 |
0 |
0.144 |
9 |
|
I |
117 |
37 |
8230 |
◊ |
H |
x,y,z |
1_555 |
96 |
26 |
8185 |
1066.7 |
-14.0 |
0.111 |
8 |
5 |
0 |
0.144 |
10 |
|
B |
112 |
35 |
8284 |
◊ |
A |
x,y,z |
1_555 |
94 |
26 |
8289 |
1062.0 |
-12.2 |
0.130 |
6 |
4 |
0 |
0.144 |
| Average: |
1082.5 |
-12.2 |
0.150 |
8 |
5 |
0 |
0.144 |
| 2 |
11 |
|
G |
66 |
20 |
8254 |
◊ |
A |
x,y,z |
1_555 |
68 |
19 |
8289 |
691.7 |
3.4 |
0.867 |
12 |
4 |
0 |
0.018 |
12 |
|
H |
65 |
20 |
8185 |
◊ |
E |
x,y,z |
1_555 |
67 |
19 |
8256 |
657.7 |
4.6 |
0.905 |
12 |
6 |
0 |
0.018 |
13 |
|
F |
69 |
18 |
8288 |
◊ |
B |
x,y,z |
1_555 |
65 |
19 |
8284 |
655.3 |
5.2 |
0.915 |
13 |
6 |
0 |
0.018 |
14 |
|
I |
69 |
18 |
8230 |
◊ |
D |
x,y,z |
1_555 |
66 |
18 |
8265 |
641.0 |
3.9 |
0.902 |
15 |
7 |
0 |
0.018 |
15 |
|
J |
66 |
19 |
8150 |
◊ |
C |
x,y,z |
1_555 |
65 |
17 |
8223 |
614.0 |
5.6 |
0.942 |
13 |
6 |
0 |
0.018 |
| Average: |
652.0 |
4.6 |
0.906 |
13 |
6 |
0 |
0.018 |
| 3 |
16 |
|
G |
37 |
9 |
8254 |
◊ |
C |
x,y-1,z+1 |
1_546 |
34 |
12 |
8223 |
355.3 |
-3.8 |
0.312 |
2 |
0 |
0 |
0.000 |
17 |
|
F |
33 |
10 |
8288 |
◊ |
D |
x-1,y,z+1 |
1_456 |
34 |
10 |
8265 |
350.4 |
-3.2 |
0.353 |
1 |
0 |
0 |
0.000 |
| Average: |
352.9 |
-3.5 |
0.333 |
2 |
0 |
0 |
0.000 |
| 4 |
18 |
|
[PUG]F:701 |
21 |
1 |
447 |
f |
F |
x,y,z |
1_555 |
34 |
13 |
8288 |
269.6 |
-1.7 |
0.422 |
7 |
0 |
0 |
0.047 |
19 |
|
[PUG]C:701 |
20 |
1 |
445 |
f |
C |
x,y,z |
1_555 |
38 |
13 |
8223 |
268.1 |
-1.6 |
0.447 |
6 |
0 |
0 |
0.047 |
20 |
|
[PUG]I:701 |
20 |
1 |
446 |
f |
I |
x,y,z |
1_555 |
37 |
13 |
8230 |
268.0 |
-1.5 |
0.483 |
6 |
0 |
0 |
0.047 |
21 |
|
[PUG]B:701 |
20 |
1 |
447 |
f |
B |
x,y,z |
1_555 |
36 |
13 |
8284 |
266.7 |
-1.5 |
0.497 |
7 |
0 |
0 |
0.047 |
22 |
|
[PUG]H:701 |
21 |
1 |
450 |
f |
H |
x,y,z |
1_555 |
36 |
13 |
8185 |
264.7 |
-1.7 |
0.450 |
6 |
0 |
0 |
0.047 |
23 |
|
[PUG]A:701 |
21 |
1 |
447 |
f |
A |
x,y,z |
1_555 |
38 |
13 |
8289 |
263.6 |
-0.4 |
0.591 |
7 |
0 |
0 |
0.047 |
24 |
|
[PUG]E:701 |
20 |
1 |
447 |
f |
E |
x,y,z |
1_555 |
38 |
13 |
8256 |
263.2 |
-0.7 |
0.545 |
8 |
0 |
0 |
0.047 |
25 |
|
[PUG]D:701 |
20 |
1 |
444 |
f |
D |
x,y,z |
1_555 |
36 |
13 |
8265 |
261.5 |
-1.6 |
0.427 |
7 |
0 |
0 |
0.047 |
26 |
|
[PUG]G:701 |
19 |
1 |
449 |
f |
G |
x,y,z |
1_555 |
38 |
13 |
8254 |
261.4 |
-1.7 |
0.465 |
5 |
0 |
0 |
0.047 |
27 |
|
[PUG]J:701 |
21 |
1 |
443 |
f |
J |
x,y,z |
1_555 |
37 |
13 |
8150 |
259.0 |
-1.2 |
0.525 |
9 |
0 |
0 |
0.047 |
| Average: |
264.6 |
-1.4 |
0.485 |
7 |
0 |
0 |
0.047 |
| 5 |
28 |
|
A |
23 |
7 |
8289 |
◊ |
J |
x,y-1,z |
1_545 |
21 |
7 |
8150 |
210.9 |
-1.5 |
0.437 |
1 |
3 |
0 |
0.000 |
29 |
|
B |
20 |
6 |
8284 |
◊ |
I |
x-1,y,z |
1_455 |
21 |
7 |
8230 |
204.1 |
-1.1 |
0.503 |
2 |
3 |
0 |
0.000 |
| Average: |
207.5 |
-1.3 |
0.470 |
2 |
3 |
0 |
0.000 |
| 6 |
30 |
|
I |
14 |
3 |
8230 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
8223 |
124.7 |
3.8 |
0.957 |
3 |
5 |
0 |
0.000 |
31 |
|
F |
13 |
3 |
8288 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
8289 |
120.0 |
3.1 |
0.927 |
2 |
4 |
0 |
0.000 |
32 |
|
J |
15 |
3 |
8150 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
8284 |
119.8 |
3.3 |
0.935 |
2 |
5 |
0 |
0.000 |
33 |
|
G |
12 |
3 |
8254 |
◊ |
E |
x,y,z |
1_555 |
14 |
3 |
8256 |
118.5 |
3.3 |
0.932 |
4 |
5 |
0 |
0.000 |
34 |
|
H |
12 |
3 |
8185 |
◊ |
D |
x,y,z |
1_555 |
15 |
3 |
8265 |
118.4 |
3.5 |
0.946 |
4 |
5 |
0 |
0.000 |
| Average: |
120.3 |
3.4 |
0.940 |
3 |
5 |
0 |
0.000 |
| 7 |
35 |
|
I |
18 |
5 |
8230 |
◊ |
E |
x,y,z |
1_555 |
19 |
6 |
8256 |
123.8 |
-1.6 |
0.389 |
0 |
0 |
0 |
0.006 |
36 |
|
F |
20 |
5 |
8288 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
8223 |
118.2 |
-1.7 |
0.379 |
0 |
0 |
0 |
0.006 |
37 |
|
H |
18 |
5 |
8185 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
8289 |
115.6 |
-1.8 |
0.350 |
0 |
0 |
0 |
0.006 |
38 |
|
J |
17 |
4 |
8150 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
8265 |
114.4 |
-1.6 |
0.396 |
0 |
0 |
0 |
0.006 |
39 |
|
G |
18 |
5 |
8254 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
8284 |
109.7 |
-1.7 |
0.326 |
0 |
0 |
0 |
0.006 |
| Average: |
116.3 |
-1.7 |
0.368 |
0 |
0 |
0 |
0.006 |
| 8 |
40 |
|
[K]J:1161 |
1 |
1 |
216 |
f |
J |
x,y,z |
1_555 |
19 |
9 |
8150 |
117.0 |
-78.7 |
0.000 |
0 |
0 |
0 |
0.768 |
41 |
|
[K]E:1161 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
8256 |
117.0 |
-79.7 |
0.000 |
0 |
0 |
0 |
0.768 |
42 |
|
[K]F:1161 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
19 |
9 |
8288 |
115.7 |
-77.4 |
0.000 |
0 |
0 |
0 |
0.768 |
43 |
|
[K]C:1161 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
8223 |
115.5 |
-79.0 |
0.000 |
0 |
0 |
0 |
0.768 |
44 |
|
[K]A:1161 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
8289 |
114.5 |
-78.3 |
0.000 |
0 |
0 |
0 |
0.768 |
45 |
|
[K]H:1161 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
19 |
10 |
8185 |
114.0 |
-76.6 |
0.000 |
0 |
0 |
0 |
0.768 |
46 |
|
[K]I:1161 |
1 |
1 |
216 |
f |
I |
x,y,z |
1_555 |
20 |
9 |
8230 |
113.2 |
-77.0 |
0.000 |
0 |
0 |
0 |
0.768 |
47 |
|
[K]D:1161 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
8265 |
111.8 |
-75.2 |
0.000 |
0 |
0 |
0 |
0.768 |
48 |
|
[K]B:1161 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
8284 |
111.8 |
-76.9 |
0.000 |
0 |
0 |
0 |
0.768 |
49 |
|
[K]G:1162 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
20 |
9 |
8254 |
111.2 |
-76.0 |
0.000 |
0 |
0 |
0 |
0.768 |
| Average: |
114.2 |
-77.5 |
0.000 |
0 |
0 |
0 |
0.768 |
| 9 |
50 |
|
[PUG]E:701 |
8 |
1 |
447 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
8289 |
114.5 |
-1.6 |
0.357 |
3 |
0 |
0 |
0.030 |
51 |
|
[PUG]D:701 |
8 |
1 |
444 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
8256 |
113.8 |
-1.4 |
0.364 |
3 |
0 |
0 |
0.030 |
52 |
|
[PUG]J:701 |
8 |
1 |
443 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
8288 |
109.3 |
-1.9 |
0.340 |
3 |
0 |
0 |
0.030 |
53 |
|
[PUG]B:701 |
8 |
1 |
447 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
8223 |
108.9 |
-1.9 |
0.364 |
3 |
0 |
0 |
0.030 |
54 |
|
[PUG]A:701 |
8 |
1 |
447 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
8284 |
107.8 |
-2.4 |
0.302 |
3 |
0 |
0 |
0.030 |
55 |
|
[PUG]F:701 |
9 |
1 |
447 |
◊ |
G |
x,y,z |
1_555 |
14 |
6 |
8254 |
107.5 |
-2.5 |
0.307 |
2 |
0 |
0 |
0.030 |
56 |
|
[PUG]C:701 |
7 |
1 |
445 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
8265 |
107.1 |
-1.7 |
0.317 |
4 |
0 |
0 |
0.030 |
57 |
|
[PUG]G:701 |
9 |
1 |
449 |
◊ |
H |
x,y,z |
1_555 |
14 |
6 |
8185 |
104.7 |
-2.0 |
0.349 |
3 |
0 |
0 |
0.030 |
58 |
|
[PUG]H:701 |
8 |
1 |
450 |
◊ |
I |
x,y,z |
1_555 |
14 |
6 |
8230 |
103.5 |
-2.5 |
0.299 |
2 |
0 |
0 |
0.030 |
59 |
|
[PUG]I:701 |
8 |
1 |
446 |
◊ |
J |
x,y,z |
1_555 |
15 |
7 |
8150 |
101.1 |
-2.9 |
0.260 |
2 |
0 |
0 |
0.030 |
| Average: |
107.8 |
-2.1 |
0.326 |
3 |
0 |
0 |
0.030 |
| 10 |
60 |
|
[PO4]I:1162 |
5 |
1 |
188 |
f |
I |
x,y,z |
1_555 |
14 |
6 |
8230 |
97.2 |
-6.6 |
0.677 |
4 |
0 |
0 |
0.041 |
| 11 |
61 |
|
[PO4]H:1162 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
8185 |
91.9 |
-5.8 |
0.718 |
3 |
0 |
0 |
0.035 |
| 12 |
62 |
|
[PO4]A:1163 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8289 |
90.9 |
-5.9 |
0.637 |
4 |
0 |
0 |
0.038 |
| 13 |
63 |
|
[PO4]F:1162 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
8288 |
90.1 |
-5.9 |
0.660 |
3 |
0 |
0 |
0.036 |
| 14 |
64 |
|
[K]G:1161 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
8254 |
88.5 |
-58.6 |
0.000 |
0 |
0 |
0 |
0.378 |
65 |
|
[K]E:1162 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
8256 |
86.4 |
-55.1 |
0.000 |
0 |
0 |
0 |
0.378 |
66 |
|
[K]D:1162 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
8265 |
85.5 |
-54.5 |
0.000 |
0 |
0 |
0 |
0.378 |
67 |
|
[K]C:1162 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
8223 |
85.0 |
-57.0 |
0.000 |
0 |
0 |
0 |
0.378 |
68 |
|
[K]A:1162 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8289 |
84.6 |
-55.4 |
0.000 |
0 |
0 |
0 |
0.378 |
69 |
|
[K]D:1162 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
14 |
5 |
8150 |
83.8 |
-53.0 |
0.000 |
0 |
0 |
0 |
0.378 |
70 |
|
[K]E:1162 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
14 |
5 |
8230 |
83.0 |
-52.6 |
0.000 |
0 |
0 |
0 |
0.378 |
71 |
|
[K]A:1162 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
8185 |
81.8 |
-52.6 |
0.000 |
0 |
0 |
0 |
0.378 |
72 |
|
[K]C:1162 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
8288 |
80.6 |
-50.8 |
0.000 |
0 |
0 |
0 |
0.378 |
73 |
|
[K]G:1161 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8284 |
78.5 |
-49.3 |
0.000 |
0 |
0 |
0 |
0.378 |
| Average: |
83.8 |
-53.9 |
0.000 |
0 |
0 |
0 |
0.378 |
| 15 |
74 |
|
[PO4]J:1162 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
15 |
6 |
8150 |
87.5 |
-5.7 |
0.696 |
3 |
0 |
0 |
0.034 |
| 16 |
75 |
|
[PO4]C:1163 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
8223 |
86.6 |
-5.5 |
0.685 |
5 |
0 |
0 |
0.038 |
| 17 |
76 |
|
[PO4]B:1162 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8284 |
84.9 |
-5.5 |
0.670 |
3 |
0 |
0 |
0.034 |
77 |
|
[PO4]E:1163 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
8256 |
83.9 |
-5.2 |
0.722 |
3 |
0 |
0 |
0.034 |
78 |
|
[PO4]D:1163 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8265 |
83.8 |
-5.3 |
0.657 |
2 |
0 |
0 |
0.034 |
| Average: |
84.2 |
-5.3 |
0.683 |
3 |
0 |
0 |
0.034 |
| 18 |
79 |
|
[PO4]G:1163 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
8254 |
84.7 |
-5.5 |
0.633 |
4 |
0 |
0 |
0.036 |
| 19 |
80 |
|
[PO4]B:1162 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8223 |
55.3 |
-1.8 |
0.936 |
2 |
0 |
0 |
0.013 |
81 |
|
[PO4]D:1163 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
8256 |
43.9 |
-1.3 |
0.932 |
3 |
0 |
0 |
0.013 |
82 |
|
[PO4]E:1163 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8289 |
40.9 |
-1.9 |
0.851 |
0 |
0 |
0 |
0.013 |
| Average: |
46.7 |
-1.7 |
0.906 |
2 |
0 |
0 |
0.013 |
| 20 |
83 |
|
[PO4]J:1162 |
5 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
8288 |
55.2 |
-1.5 |
0.951 |
2 |
0 |
0 |
0.004 |
| 21 |
84 |
|
[PO4]F:1162 |
4 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
8254 |
49.9 |
-1.4 |
0.945 |
2 |
0 |
0 |
0.004 |
| 22 |
85 |
|
[PO4]C:1163 |
4 |
1 |
190 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
8265 |
48.7 |
-2.5 |
0.847 |
0 |
0 |
0 |
0.004 |
| 23 |
86 |
|
[MPD]J:1163 |
5 |
1 |
280 |
f |
I |
x,y,z |
1_555 |
7 |
1 |
8230 |
47.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 24 |
87 |
|
[MPD]J:1163 |
5 |
1 |
280 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
8185 |
47.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 25 |
88 |
|
[MPD]C:1164 |
5 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
8223 |
47.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 26 |
89 |
|
[PO4]G:1163 |
4 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8185 |
47.1 |
-1.6 |
0.941 |
2 |
0 |
0 |
0.004 |
| 27 |
90 |
|
[MPD]J:1163 |
5 |
1 |
280 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
8288 |
45.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| 28 |
91 |
|
[MPD]J:1163 |
4 |
1 |
280 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
8254 |
44.9 |
-2.1 |
0.780 |
0 |
0 |
0 |
0.004 |
| 29 |
92 |
|
[MPD]C:1164 |
5 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
8284 |
44.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| 30 |
93 |
|
[MPD]C:1164 |
4 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
8265 |
44.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 31 |
94 |
|
[MPD]C:1164 |
4 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
8289 |
43.1 |
-2.2 |
0.000 |
1 |
0 |
0 |
0.013 |
| 32 |
95 |
|
[PO4]H:1162 |
3 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
8230 |
42.3 |
-1.6 |
0.912 |
3 |
0 |
0 |
0.005 |
| 33 |
96 |
|
[PO4]A:1163 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8284 |
41.0 |
-1.4 |
0.881 |
2 |
0 |
0 |
0.004 |
| 34 |
97 |
|
[MPD]C:1164 |
4 |
1 |
279 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
8256 |
40.1 |
-1.8 |
0.000 |
1 |
0 |
0 |
0.004 |
| 35 |
98 |
|
[MPD]J:1163 |
5 |
1 |
280 |
◊ |
J |
x,y,z |
1_555 |
5 |
1 |
8150 |
38.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| 36 |
99 |
|
[PO4]I:1162 |
4 |
1 |
188 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
8150 |
35.9 |
-1.6 |
0.875 |
0 |
0 |
0 |
0.003 |
| 37 |
100 |
|
[K]I:1161 |
1 |
1 |
216 |
◊ |
[K]D:1161 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.3 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.113 |
| 38 |
101 |
|
[K]F:1161 |
1 |
1 |
216 |
◊ |
[K]B:1161 |
x,y,z |
1_555 |
1 |
1 |
216 |
20.7 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.102 |
| 39 |
102 |
|
[K]G:1162 |
1 |
1 |
216 |
◊ |
[K]A:1161 |
x,y,z |
1_555 |
1 |
1 |
216 |
20.5 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 40 |
103 |
|
[K]H:1161 |
1 |
1 |
216 |
◊ |
[K]E:1161 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.4 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.095 |
| 41 |
104 |
|
[K]J:1161 |
1 |
1 |
216 |
◊ |
[K]C:1161 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.0 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.093 |
| 42 |
105 |
|
[K]H:1161 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8256 |
6.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.017 |
106 |
|
[K]C:1161 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
8150 |
3.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
107 |
|
[K]B:1161 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8288 |
3.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
108 |
|
[K]G:1162 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8289 |
2.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
109 |
|
[K]A:1161 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8254 |
2.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.017 |
110 |
|
[K]J:1161 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8223 |
2.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
111 |
|
[K]F:1161 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8284 |
1.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.017 |
112 |
|
[K]D:1161 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
8230 |
0.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.017 |
113 |
|
[K]E:1161 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
8185 |
0.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
2.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| 43 |
114 |
|
[PO4]D:1163 |
1 |
1 |
188 |
f |
[PUG]D:701 |
x,y,z |
1_555 |
2 |
1 |
444 |
4.8 |
-0.3 |
0.587 |
0 |
0 |
0 |
0.001 |
115 |
|
[PO4]E:1163 |
1 |
1 |
189 |
f |
[PUG]E:701 |
x,y,z |
1_555 |
2 |
1 |
447 |
1.7 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.001 |
| Average: |
3.2 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.001 |
| 44 |
116 |
|
[PO4]H:1162 |
1 |
1 |
187 |
f |
[PUG]H:701 |
x,y,z |
1_555 |
1 |
1 |
450 |
4.4 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.001 |
| 45 |
117 |
|
[PO4]J:1162 |
1 |
1 |
188 |
f |
[PUG]J:701 |
x,y,z |
1_555 |
2 |
1 |
443 |
3.5 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.000 |
| 46 |
118 |
|
[PO4]G:1163 |
1 |
1 |
188 |
f |
[PUG]G:701 |
x,y,z |
1_555 |
1 |
1 |
449 |
3.5 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
| 47 |
119 |
|
[PO4]C:1163 |
1 |
1 |
190 |
f |
[PUG]C:701 |
x,y,z |
1_555 |
2 |
1 |
445 |
2.4 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 48 |
120 |
|
[PO4]F:1162 |
1 |
1 |
188 |
f |
[PUG]F:701 |
x,y,z |
1_555 |
1 |
1 |
447 |
0.6 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
|