| ## |
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 |
159 |
40 |
11521 |
◊ |
G |
x,y,z |
1_555 |
148 |
38 |
10837 |
1509.0 |
-11.8 |
0.153 |
26 |
7 |
0 |
0.927 |
2 |
|
B |
150 |
37 |
11209 |
◊ |
A |
x,y,z |
1_555 |
145 |
38 |
11150 |
1475.4 |
-13.2 |
0.122 |
21 |
7 |
0 |
0.927 |
3 |
|
D |
148 |
38 |
10573 |
◊ |
C |
x,y,z |
1_555 |
150 |
38 |
10955 |
1455.1 |
-14.9 |
0.070 |
26 |
7 |
0 |
0.927 |
4 |
|
F |
134 |
34 |
10402 |
◊ |
E |
x,y,z |
1_555 |
140 |
36 |
11112 |
1388.5 |
-15.6 |
0.050 |
20 |
6 |
0 |
0.927 |
| Average: |
1457.0 |
-13.9 |
0.099 |
23 |
7 |
0 |
0.927 |
| 2 |
5 |
|
E |
62 |
22 |
11112 |
◊ |
H |
x,y-1,z |
1_545 |
78 |
19 |
11521 |
633.6 |
1.3 |
0.680 |
7 |
3 |
0 |
0.000 |
6 |
|
E |
64 |
16 |
11112 |
◊ |
C |
x,y,z |
1_555 |
59 |
20 |
10955 |
541.9 |
0.1 |
0.610 |
8 |
3 |
0 |
0.000 |
7 |
|
C |
54 |
15 |
10955 |
◊ |
B |
x,y,z |
1_555 |
55 |
17 |
11209 |
468.1 |
-0.5 |
0.571 |
5 |
4 |
0 |
0.000 |
| Average: |
547.9 |
0.3 |
0.620 |
7 |
3 |
0 |
0.000 |
| 3 |
8 |
|
H |
74 |
27 |
11521 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
76 |
28 |
10955 |
629.2 |
-4.3 |
0.322 |
2 |
5 |
0 |
0.000 |
9 |
|
E |
71 |
25 |
11112 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
71 |
24 |
11209 |
626.8 |
-2.1 |
0.476 |
5 |
6 |
0 |
0.000 |
| Average: |
628.0 |
-3.2 |
0.399 |
4 |
6 |
0 |
0.000 |
| 4 |
10 |
|
H |
60 |
17 |
11521 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
51 |
11 |
11150 |
471.7 |
-1.9 |
0.478 |
4 |
5 |
0 |
0.000 |
11 |
|
D |
52 |
14 |
10573 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
58 |
16 |
11209 |
446.6 |
-2.3 |
0.440 |
5 |
4 |
0 |
0.000 |
| Average: |
459.2 |
-2.1 |
0.459 |
5 |
5 |
0 |
0.000 |
| 5 |
12 |
|
G |
45 |
11 |
10837 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
11150 |
420.6 |
-1.3 |
0.492 |
4 |
0 |
0 |
0.000 |
13 |
|
G |
36 |
10 |
10837 |
◊ |
F |
x,y,z |
1_555 |
32 |
7 |
10402 |
302.6 |
-0.2 |
0.567 |
3 |
0 |
0 |
0.000 |
| Average: |
361.6 |
-0.8 |
0.529 |
4 |
0 |
0 |
0.000 |
| 6 |
14 |
|
H |
41 |
11 |
11521 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
11 |
11209 |
373.8 |
-2.7 |
0.278 |
1 |
2 |
0 |
0.000 |
| 7 |
15 |
|
F |
28 |
9 |
10402 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
33 |
9 |
11150 |
285.6 |
3.5 |
0.868 |
7 |
4 |
0 |
0.000 |
16 |
|
D |
23 |
7 |
10573 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
9 |
10837 |
233.8 |
0.7 |
0.659 |
5 |
1 |
0 |
0.000 |
| Average: |
259.7 |
2.1 |
0.763 |
6 |
3 |
0 |
0.000 |
| 8 |
17 |
|
H |
23 |
6 |
11521 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
11150 |
222.5 |
1.3 |
0.644 |
5 |
1 |
0 |
0.000 |
| 9 |
18 |
|
F |
20 |
6 |
10402 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
23 |
8 |
10955 |
212.5 |
-1.4 |
0.393 |
2 |
1 |
0 |
0.000 |
| 10 |
19 |
|
[FQ0]C:302 |
21 |
1 |
580 |
f |
C |
x,y,z |
1_555 |
72 |
23 |
10955 |
207.7 |
1.9 |
0.424 |
4 |
0 |
0 |
0.020 |
20 |
|
[FQ0]H:302 |
20 |
1 |
570 |
f |
H |
x,y,z |
1_555 |
71 |
24 |
11521 |
199.5 |
1.6 |
0.452 |
3 |
0 |
0 |
0.020 |
21 |
|
[FQ0]F:302 |
21 |
1 |
572 |
f |
F |
x,y,z |
1_555 |
71 |
22 |
10402 |
198.3 |
1.5 |
0.437 |
2 |
0 |
0 |
0.020 |
22 |
|
[FQ0]A:302 |
20 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
72 |
23 |
11150 |
194.1 |
1.6 |
0.453 |
2 |
0 |
0 |
0.020 |
23 |
|
[FQ0]G:302 |
20 |
1 |
568 |
f |
G |
x,y,z |
1_555 |
71 |
23 |
10837 |
194.0 |
1.5 |
0.417 |
1 |
0 |
0 |
0.020 |
24 |
|
[FQ0]D:302 |
21 |
1 |
568 |
f |
D |
x,y,z |
1_555 |
72 |
23 |
10573 |
194.0 |
1.6 |
0.435 |
3 |
0 |
0 |
0.020 |
25 |
|
[FQ0]B:302 |
21 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
68 |
24 |
11209 |
193.8 |
1.4 |
0.426 |
4 |
0 |
0 |
0.020 |
26 |
|
[FQ0]E:302 |
20 |
1 |
571 |
f |
E |
x,y,z |
1_555 |
75 |
25 |
11112 |
193.2 |
1.5 |
0.442 |
3 |
0 |
0 |
0.020 |
| Average: |
196.8 |
1.6 |
0.436 |
3 |
0 |
0 |
0.020 |
| 11 |
27 |
|
C |
27 |
9 |
10955 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
11150 |
207.4 |
0.4 |
0.630 |
1 |
0 |
0 |
0.000 |
28 |
|
E |
24 |
7 |
11112 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
10573 |
146.1 |
0.0 |
0.463 |
1 |
1 |
0 |
0.000 |
| Average: |
176.8 |
0.2 |
0.546 |
1 |
1 |
0 |
0.000 |
| 12 |
29 |
|
[FQF]F:303 |
21 |
1 |
572 |
◊ |
F |
x,y,z |
1_555 |
72 |
23 |
10402 |
207.3 |
2.5 |
0.416 |
4 |
0 |
0 |
0.000 |
30 |
|
[FQF]H:303 |
21 |
1 |
573 |
◊ |
H |
x,y,z |
1_555 |
71 |
24 |
11521 |
203.9 |
2.8 |
0.425 |
1 |
0 |
0 |
0.000 |
31 |
|
[FQF]A:303 |
21 |
1 |
568 |
◊ |
A |
x,y,z |
1_555 |
71 |
23 |
11150 |
203.4 |
2.7 |
0.438 |
4 |
0 |
0 |
0.000 |
32 |
|
[FQF]D:303 |
21 |
1 |
575 |
◊ |
D |
x,y,z |
1_555 |
72 |
23 |
10573 |
202.5 |
2.6 |
0.427 |
4 |
0 |
0 |
0.000 |
33 |
|
[FQF]C:303 |
20 |
1 |
569 |
◊ |
C |
x,y,z |
1_555 |
75 |
23 |
10955 |
201.1 |
2.4 |
0.388 |
3 |
0 |
0 |
0.000 |
| Average: |
203.6 |
2.6 |
0.419 |
3 |
0 |
0 |
0.000 |
| 13 |
34 |
|
[FV3]H:304 |
21 |
1 |
579 |
f |
H |
x,y,z |
1_555 |
71 |
24 |
11521 |
206.9 |
3.0 |
0.446 |
3 |
0 |
0 |
0.000 |
| 14 |
35 |
|
[FQF]G:303 |
21 |
1 |
581 |
◊ |
G |
x,y,z |
1_555 |
70 |
22 |
10837 |
206.8 |
2.6 |
0.389 |
2 |
0 |
0 |
0.000 |
36 |
|
[FQF]B:303 |
21 |
1 |
570 |
◊ |
B |
x,y,z |
1_555 |
65 |
23 |
11209 |
194.4 |
2.1 |
0.407 |
4 |
0 |
0 |
0.000 |
| Average: |
200.6 |
2.3 |
0.398 |
3 |
0 |
0 |
0.000 |
| 15 |
37 |
|
[FQF]E:303 |
21 |
1 |
568 |
f |
E |
x,y,z |
1_555 |
71 |
24 |
11112 |
198.7 |
2.6 |
0.435 |
2 |
0 |
0 |
0.000 |
| 16 |
38 |
|
[FV3]A:304 |
21 |
1 |
575 |
f |
A |
x,y,z |
1_555 |
72 |
23 |
11150 |
198.0 |
2.4 |
0.454 |
2 |
0 |
0 |
0.000 |
39 |
|
[FV3]D:304 |
20 |
1 |
572 |
f |
D |
x,y,z |
1_555 |
73 |
24 |
10573 |
196.4 |
2.6 |
0.430 |
2 |
0 |
0 |
0.000 |
40 |
|
[FV3]C:304 |
20 |
1 |
562 |
f |
C |
x,y,z |
1_555 |
75 |
23 |
10955 |
195.3 |
2.4 |
0.402 |
3 |
0 |
0 |
0.000 |
41 |
|
[FV3]F:304 |
21 |
1 |
572 |
f |
F |
x,y,z |
1_555 |
69 |
23 |
10402 |
194.5 |
2.6 |
0.429 |
3 |
0 |
0 |
0.000 |
42 |
|
[FV3]E:304 |
21 |
1 |
572 |
f |
E |
x,y,z |
1_555 |
72 |
23 |
11112 |
194.1 |
2.4 |
0.413 |
3 |
0 |
0 |
0.000 |
43 |
|
[FV3]B:304 |
20 |
1 |
570 |
f |
B |
x,y,z |
1_555 |
67 |
24 |
11209 |
192.7 |
2.5 |
0.418 |
4 |
0 |
0 |
0.000 |
44 |
|
[FV3]G:304 |
20 |
1 |
572 |
f |
G |
x,y,z |
1_555 |
68 |
22 |
10837 |
189.3 |
2.2 |
0.393 |
1 |
0 |
0 |
0.000 |
| Average: |
194.3 |
2.4 |
0.420 |
3 |
0 |
0 |
0.000 |
| 17 |
45 |
|
D |
17 |
5 |
10573 |
◊ |
A |
x,y-1,z |
1_545 |
15 |
4 |
11150 |
149.3 |
-0.7 |
0.465 |
2 |
0 |
0 |
0.000 |
| 18 |
46 |
|
[FV3]F:304 |
21 |
1 |
572 |
◊ |
[FQF]F:303 |
x,y,z |
1_555 |
21 |
1 |
572 |
142.2 |
2.7 |
0.168 |
0 |
0 |
0 |
0.000 |
47 |
|
[FV3]A:304 |
21 |
1 |
575 |
◊ |
[FQF]A:303 |
x,y,z |
1_555 |
21 |
1 |
568 |
141.0 |
2.9 |
0.196 |
0 |
0 |
0 |
0.000 |
48 |
|
[FV3]D:304 |
20 |
1 |
572 |
◊ |
[FQF]D:303 |
x,y,z |
1_555 |
21 |
1 |
575 |
139.7 |
2.6 |
0.145 |
0 |
0 |
0 |
0.000 |
49 |
|
[FV3]C:304 |
20 |
1 |
562 |
◊ |
[FQF]C:303 |
x,y,z |
1_555 |
20 |
1 |
569 |
137.5 |
3.1 |
0.166 |
0 |
0 |
0 |
0.000 |
| Average: |
140.1 |
2.8 |
0.169 |
0 |
0 |
0 |
0.000 |
| 19 |
50 |
|
[FV3]G:304 |
20 |
1 |
572 |
◊ |
[FQF]G:303 |
x,y,z |
1_555 |
21 |
1 |
581 |
141.7 |
3.4 |
0.200 |
0 |
0 |
0 |
0.000 |
51 |
|
[FV3]H:304 |
21 |
1 |
579 |
◊ |
[FQF]H:303 |
x,y,z |
1_555 |
21 |
1 |
573 |
138.2 |
3.1 |
0.162 |
0 |
0 |
0 |
0.000 |
52 |
|
[FV3]B:304 |
20 |
1 |
570 |
◊ |
[FQF]B:303 |
x,y,z |
1_555 |
21 |
1 |
570 |
133.5 |
2.8 |
0.202 |
0 |
0 |
0 |
0.000 |
| Average: |
137.8 |
3.1 |
0.188 |
0 |
0 |
0 |
0.000 |
| 20 |
53 |
|
[FQF]F:303 |
21 |
1 |
572 |
◊ |
[FQ0]F:302 |
x,y,z |
1_555 |
21 |
1 |
572 |
141.3 |
2.6 |
0.249 |
0 |
0 |
0 |
0.000 |
54 |
|
[FQF]D:303 |
21 |
1 |
575 |
◊ |
[FQ0]D:302 |
x,y,z |
1_555 |
21 |
1 |
568 |
140.6 |
2.5 |
0.230 |
0 |
0 |
0 |
0.000 |
55 |
|
[FQF]C:303 |
20 |
1 |
569 |
◊ |
[FQ0]C:302 |
x,y,z |
1_555 |
21 |
1 |
580 |
138.3 |
2.2 |
0.164 |
0 |
0 |
0 |
0.000 |
56 |
|
[FQF]H:303 |
21 |
1 |
573 |
◊ |
[FQ0]H:302 |
x,y,z |
1_555 |
20 |
1 |
570 |
137.0 |
2.0 |
0.184 |
0 |
0 |
0 |
0.000 |
57 |
|
[FQF]A:303 |
21 |
1 |
568 |
◊ |
[FQ0]A:302 |
x,y,z |
1_555 |
19 |
1 |
568 |
135.8 |
2.7 |
0.245 |
0 |
0 |
0 |
0.000 |
| Average: |
138.6 |
2.4 |
0.214 |
0 |
0 |
0 |
0.000 |
| 21 |
58 |
|
[FV3]C:304 |
20 |
1 |
562 |
f |
[FQ0]C:302 |
x,y,z |
1_555 |
21 |
1 |
580 |
141.2 |
2.5 |
0.207 |
0 |
0 |
0 |
0.000 |
59 |
|
[FV3]E:304 |
21 |
1 |
572 |
f |
[FQ0]E:302 |
x,y,z |
1_555 |
20 |
1 |
571 |
135.6 |
2.8 |
0.282 |
0 |
0 |
0 |
0.000 |
| Average: |
138.4 |
2.7 |
0.245 |
0 |
0 |
0 |
0.000 |
| 22 |
60 |
|
[FV3]H:304 |
21 |
1 |
579 |
f |
[FQ0]H:302 |
x,y,z |
1_555 |
20 |
1 |
570 |
140.0 |
2.8 |
0.252 |
0 |
0 |
0 |
0.000 |
| 23 |
61 |
|
[FV3]F:304 |
21 |
1 |
572 |
f |
[FQ0]F:302 |
x,y,z |
1_555 |
21 |
1 |
572 |
138.7 |
2.9 |
0.262 |
0 |
0 |
0 |
0.000 |
62 |
|
[FV3]A:304 |
20 |
1 |
575 |
f |
[FQ0]A:302 |
x,y,z |
1_555 |
20 |
1 |
568 |
137.5 |
2.8 |
0.297 |
0 |
0 |
0 |
0.000 |
63 |
|
[FV3]D:304 |
20 |
1 |
572 |
f |
[FQ0]D:302 |
x,y,z |
1_555 |
20 |
1 |
568 |
137.3 |
2.4 |
0.214 |
0 |
0 |
0 |
0.000 |
64 |
|
[FV3]G:304 |
20 |
1 |
572 |
f |
[FQ0]G:302 |
x,y,z |
1_555 |
20 |
1 |
568 |
131.7 |
2.5 |
0.221 |
0 |
0 |
0 |
0.000 |
| Average: |
136.3 |
2.6 |
0.249 |
0 |
0 |
0 |
0.000 |
| 24 |
65 |
|
[FQF]B:303 |
21 |
1 |
570 |
◊ |
[FQ0]B:302 |
x,y,z |
1_555 |
21 |
1 |
573 |
135.7 |
2.7 |
0.298 |
0 |
0 |
0 |
0.000 |
| 25 |
66 |
|
[FV3]B:304 |
20 |
1 |
570 |
f |
[FQ0]B:302 |
x,y,z |
1_555 |
21 |
1 |
573 |
135.3 |
2.5 |
0.241 |
0 |
0 |
0 |
0.000 |
| 26 |
67 |
|
[FQF]G:303 |
19 |
1 |
581 |
◊ |
[FQ0]G:302 |
x,y,z |
1_555 |
19 |
1 |
568 |
135.1 |
3.0 |
0.276 |
0 |
0 |
0 |
0.000 |
| 27 |
68 |
|
[FV3]E:304 |
21 |
1 |
572 |
f |
[FQF]E:303 |
x,y,z |
1_555 |
21 |
1 |
568 |
134.5 |
2.8 |
0.197 |
0 |
0 |
0 |
0.000 |
| 28 |
69 |
|
[FQF]E:303 |
21 |
1 |
568 |
f |
[FQ0]E:302 |
x,y,z |
1_555 |
20 |
1 |
571 |
132.4 |
1.9 |
0.203 |
1 |
0 |
0 |
0.000 |
| 29 |
70 |
|
E |
20 |
7 |
11112 |
◊ |
G |
-x-1,y-1/2,-z+1/2 |
3_445 |
9 |
4 |
10837 |
132.1 |
0.9 |
0.648 |
3 |
4 |
0 |
0.000 |
| 30 |
71 |
|
[DPO]B:301 |
9 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
11209 |
122.2 |
1.3 |
0.625 |
14 |
0 |
0 |
0.256 |
72 |
|
[DPO]E:301 |
9 |
1 |
265 |
f |
E |
x,y,z |
1_555 |
25 |
9 |
11112 |
118.8 |
1.3 |
0.619 |
12 |
0 |
0 |
0.256 |
| Average: |
120.5 |
1.3 |
0.622 |
13 |
0 |
0 |
0.256 |
| 31 |
73 |
|
[DPO]G:301 |
9 |
1 |
263 |
f |
G |
x,y,z |
1_555 |
24 |
9 |
10837 |
115.1 |
1.8 |
0.670 |
13 |
0 |
0 |
1.000 |
| 32 |
74 |
|
[PO4]H:301 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
23 |
9 |
11521 |
106.9 |
-6.7 |
0.763 |
8 |
0 |
0 |
0.324 |
| 33 |
75 |
|
[PO4]C:301 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
10955 |
106.4 |
-6.6 |
0.750 |
10 |
0 |
0 |
0.256 |
| 34 |
76 |
|
[PO4]F:301 |
5 |
1 |
190 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
10402 |
105.9 |
-7.1 |
0.739 |
11 |
0 |
0 |
0.440 |
| 35 |
77 |
|
[PO4]A:301 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
11150 |
100.9 |
-6.8 |
0.742 |
10 |
0 |
0 |
0.345 |
| 36 |
78 |
|
[PO4]D:301 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
10573 |
99.5 |
-6.9 |
0.733 |
9 |
0 |
0 |
0.252 |
| 37 |
79 |
|
F |
13 |
3 |
10402 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
2 |
10573 |
91.9 |
-0.9 |
0.386 |
1 |
0 |
0 |
0.000 |
| 38 |
80 |
|
G |
12 |
7 |
10837 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
6 |
11209 |
85.3 |
0.5 |
0.649 |
0 |
0 |
0 |
0.000 |
| 39 |
81 |
|
[DPO]E:301 |
5 |
1 |
265 |
f |
[FQ0]E:302 |
x,y,z |
1_555 |
5 |
1 |
571 |
29.9 |
0.6 |
0.455 |
2 |
0 |
0 |
0.009 |
| 40 |
82 |
|
[DPO]B:301 |
5 |
1 |
264 |
f |
[FQ0]B:302 |
x,y,z |
1_555 |
5 |
1 |
573 |
27.7 |
0.6 |
0.435 |
3 |
0 |
0 |
0.041 |
| 41 |
83 |
|
[DPO]E:301 |
5 |
1 |
265 |
f |
[FQF]E:303 |
x,y,z |
1_555 |
6 |
1 |
568 |
27.5 |
0.6 |
0.393 |
1 |
0 |
0 |
0.000 |
| 42 |
84 |
|
[DPO]B:301 |
4 |
1 |
264 |
◊ |
[FQF]B:303 |
x,y,z |
1_555 |
5 |
1 |
570 |
26.9 |
0.6 |
0.386 |
1 |
0 |
0 |
0.000 |
| 43 |
85 |
|
[DPO]E:301 |
5 |
1 |
265 |
f |
[FV3]E:304 |
x,y,z |
1_555 |
6 |
1 |
572 |
26.6 |
0.7 |
0.382 |
1 |
0 |
0 |
0.000 |
| 44 |
86 |
|
[DPO]B:301 |
5 |
1 |
264 |
f |
[FV3]B:304 |
x,y,z |
1_555 |
5 |
1 |
570 |
26.5 |
0.9 |
0.438 |
0 |
0 |
0 |
0.000 |
| 45 |
87 |
|
[DPO]G:301 |
4 |
1 |
263 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
11521 |
26.3 |
-0.1 |
0.390 |
0 |
0 |
0 |
0.003 |
| 46 |
88 |
|
[DPO]G:301 |
4 |
1 |
263 |
f |
[FQ0]G:302 |
x,y,z |
1_555 |
7 |
1 |
568 |
26.2 |
-0.6 |
0.254 |
1 |
0 |
0 |
0.278 |
| 47 |
89 |
|
[DPO]G:301 |
4 |
1 |
263 |
◊ |
[FQF]G:303 |
x,y,z |
1_555 |
5 |
1 |
581 |
25.8 |
0.4 |
0.404 |
0 |
0 |
0 |
0.000 |
| 48 |
90 |
|
[DPO]G:301 |
4 |
1 |
263 |
f |
[FV3]G:304 |
x,y,z |
1_555 |
5 |
1 |
572 |
24.7 |
0.2 |
0.356 |
2 |
0 |
0 |
0.193 |
| 49 |
91 |
|
F |
4 |
2 |
10402 |
◊ |
H |
x,y-1,z |
1_545 |
2 |
2 |
11521 |
14.1 |
0.6 |
0.816 |
0 |
0 |
0 |
0.000 |
| 50 |
92 |
|
[FV3]H:304 |
2 |
1 |
579 |
f |
[PO4]H:301 |
x,y,z |
1_555 |
3 |
1 |
189 |
12.1 |
-0.7 |
0.638 |
0 |
0 |
0 |
0.022 |
| 51 |
93 |
|
[FV3]A:304 |
2 |
1 |
575 |
f |
[PO4]A:301 |
x,y,z |
1_555 |
3 |
1 |
189 |
11.2 |
-0.5 |
0.662 |
0 |
0 |
0 |
0.020 |
94 |
|
[FV3]F:304 |
2 |
1 |
572 |
f |
[PO4]F:301 |
x,y,z |
1_555 |
3 |
1 |
190 |
9.9 |
-0.5 |
0.638 |
0 |
0 |
0 |
0.020 |
| Average: |
10.5 |
-0.5 |
0.650 |
0 |
0 |
0 |
0.020 |
| 52 |
95 |
|
[FV3]C:304 |
2 |
1 |
562 |
f |
[PO4]C:301 |
x,y,z |
1_555 |
3 |
1 |
188 |
11.0 |
-0.6 |
0.645 |
0 |
0 |
0 |
0.013 |
| 53 |
96 |
|
[FQ0]H:302 |
2 |
1 |
570 |
f |
[PO4]H:301 |
x,y,z |
1_555 |
3 |
1 |
189 |
10.8 |
-0.6 |
0.727 |
0 |
0 |
0 |
0.020 |
| 54 |
97 |
|
[FQ0]D:302 |
2 |
1 |
568 |
f |
[PO4]D:301 |
x,y,z |
1_555 |
3 |
1 |
188 |
10.7 |
-0.6 |
0.719 |
0 |
0 |
0 |
0.014 |
| 55 |
98 |
|
[FV3]D:304 |
2 |
1 |
572 |
f |
[PO4]D:301 |
x,y,z |
1_555 |
3 |
1 |
188 |
9.5 |
-0.4 |
0.708 |
0 |
0 |
0 |
0.009 |
| 56 |
99 |
|
[FQ0]C:302 |
2 |
1 |
580 |
f |
[PO4]C:301 |
x,y,z |
1_555 |
3 |
1 |
188 |
9.0 |
-0.5 |
0.682 |
0 |
0 |
0 |
0.011 |
| 57 |
100 |
|
[FQF]A:303 |
2 |
1 |
568 |
◊ |
[PO4]A:301 |
x,y,z |
1_555 |
3 |
1 |
189 |
8.7 |
-0.5 |
0.618 |
0 |
0 |
0 |
0.000 |
| 58 |
101 |
|
[FQF]F:303 |
1 |
1 |
572 |
◊ |
[PO4]F:301 |
x,y,z |
1_555 |
3 |
1 |
190 |
8.5 |
-0.5 |
0.721 |
0 |
0 |
0 |
0.000 |
| 59 |
102 |
|
[FQ0]A:302 |
1 |
1 |
568 |
f |
[PO4]A:301 |
x,y,z |
1_555 |
3 |
1 |
189 |
7.7 |
-0.4 |
0.739 |
0 |
0 |
0 |
0.012 |
103 |
|
[FQ0]F:302 |
1 |
1 |
572 |
f |
[PO4]F:301 |
x,y,z |
1_555 |
3 |
1 |
190 |
4.8 |
-0.2 |
0.784 |
0 |
0 |
0 |
0.012 |
| Average: |
6.3 |
-0.3 |
0.761 |
0 |
0 |
0 |
0.012 |
| 60 |
104 |
|
[FQF]C:303 |
2 |
1 |
569 |
◊ |
[PO4]C:301 |
x,y,z |
1_555 |
3 |
1 |
188 |
7.3 |
-0.4 |
0.612 |
0 |
0 |
0 |
0.000 |
| 61 |
105 |
|
[FQF]D:303 |
1 |
1 |
575 |
◊ |
[PO4]D:301 |
x,y,z |
1_555 |
2 |
1 |
188 |
6.6 |
-0.4 |
0.709 |
0 |
0 |
0 |
0.000 |
| 62 |
106 |
|
D |
2 |
1 |
10573 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11209 |
5.8 |
0.3 |
0.784 |
0 |
0 |
0 |
0.000 |
| 63 |
107 |
|
H |
1 |
1 |
11521 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
11209 |
3.1 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
| 64 |
108 |
|
[FQF]H:303 |
1 |
1 |
573 |
◊ |
[PO4]H:301 |
x,y,z |
1_555 |
1 |
1 |
189 |
2.4 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
|