## |
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 |
|
M |
308 |
82 |
21443 |
◊ |
L |
x,y,z |
1_555 |
310 |
86 |
21298 |
2822.0 |
-17.3 |
0.122 |
34 |
9 |
0 |
0.483 |
2 |
2 |
|
O |
258 |
69 |
21308 |
◊ |
K |
x,y,z |
1_555 |
253 |
73 |
21568 |
2386.9 |
-14.6 |
0.221 |
27 |
9 |
0 |
0.448 |
3 |
|
X |
262 |
69 |
21293 |
◊ |
T |
x,y,z |
1_555 |
256 |
71 |
21681 |
2368.6 |
-17.0 |
0.176 |
25 |
7 |
0 |
0.448 |
4 |
|
F |
251 |
67 |
21116 |
◊ |
B |
x,y,z |
1_555 |
252 |
71 |
21825 |
2313.7 |
-12.6 |
0.317 |
29 |
13 |
0 |
0.448 |
5 |
|
V |
248 |
70 |
21717 |
◊ |
U |
x,y,z |
1_555 |
256 |
74 |
21255 |
2299.9 |
-11.4 |
0.264 |
21 |
4 |
0 |
0.448 |
6 |
|
D |
233 |
68 |
21482 |
◊ |
C |
x,y,z |
1_555 |
235 |
66 |
21192 |
2119.3 |
-16.6 |
0.151 |
24 |
4 |
0 |
0.448 |
Average: |
2297.7 |
-14.4 |
0.226 |
25 |
7 |
0 |
0.448 |
3 |
7 |
|
X |
252 |
75 |
21293 |
◊ |
U |
x,y,z |
1_555 |
245 |
65 |
21255 |
2313.7 |
-10.8 |
0.292 |
23 |
12 |
0 |
0.400 |
8 |
|
V |
252 |
72 |
21717 |
◊ |
S |
x,y,z |
1_555 |
241 |
64 |
20991 |
2267.8 |
-11.8 |
0.198 |
22 |
8 |
0 |
0.400 |
9 |
|
D |
236 |
73 |
21482 |
◊ |
A |
x,y,z |
1_555 |
230 |
64 |
21066 |
2211.6 |
-12.4 |
0.199 |
22 |
8 |
0 |
0.400 |
10 |
|
F |
234 |
71 |
21116 |
◊ |
C |
x,y,z |
1_555 |
232 |
67 |
21192 |
2191.3 |
-10.9 |
0.262 |
17 |
8 |
0 |
0.400 |
11 |
|
M |
224 |
68 |
21443 |
◊ |
J |
x,y,z |
1_555 |
241 |
63 |
21139 |
2168.7 |
-10.8 |
0.240 |
23 |
9 |
0 |
0.400 |
12 |
|
O |
229 |
66 |
21308 |
◊ |
L |
x,y,z |
1_555 |
229 |
62 |
21298 |
2166.0 |
-8.9 |
0.303 |
24 |
9 |
0 |
0.400 |
Average: |
2219.8 |
-10.9 |
0.249 |
22 |
9 |
0 |
0.400 |
4 |
13 |
|
N |
208 |
57 |
21463 |
◊ |
J |
x,y,z |
1_555 |
222 |
64 |
21139 |
2023.2 |
-16.8 |
0.139 |
22 |
8 |
0 |
0.564 |
14 |
|
E |
192 |
55 |
21071 |
◊ |
A |
x,y,z |
1_555 |
216 |
61 |
21066 |
1956.7 |
-13.6 |
0.227 |
26 |
9 |
0 |
0.564 |
15 |
|
W |
194 |
57 |
21065 |
◊ |
S |
x,y,z |
1_555 |
205 |
58 |
20991 |
1915.9 |
-10.2 |
0.305 |
24 |
8 |
0 |
0.564 |
Average: |
1965.3 |
-13.5 |
0.224 |
24 |
8 |
0 |
0.564 |
5 |
16 |
|
W |
202 |
60 |
21065 |
◊ |
T |
x,y,z |
1_555 |
202 |
56 |
21681 |
1893.8 |
-11.7 |
0.189 |
23 |
4 |
0 |
0.554 |
17 |
|
N |
192 |
61 |
21463 |
◊ |
K |
x,y,z |
1_555 |
191 |
54 |
21568 |
1847.9 |
-14.2 |
0.122 |
16 |
5 |
0 |
0.554 |
18 |
|
E |
192 |
59 |
21071 |
◊ |
B |
x,y,z |
1_555 |
193 |
53 |
21825 |
1823.5 |
-11.7 |
0.221 |
22 |
5 |
0 |
0.554 |
Average: |
1855.1 |
-12.5 |
0.177 |
20 |
5 |
0 |
0.554 |
6 |
19 |
|
I |
114 |
28 |
4337 |
◊ |
G |
x,y,z |
1_555 |
123 |
32 |
14682 |
1139.1 |
-11.0 |
0.674 |
13 |
1 |
0 |
0.344 |
7 |
20 |
|
H |
91 |
28 |
7227 |
◊ |
G |
x,y,z |
1_555 |
107 |
28 |
14682 |
953.0 |
-14.0 |
0.294 |
12 |
0 |
0 |
1.000 |
8 |
21 |
|
Q |
85 |
29 |
6065 |
◊ |
P |
x,y,z |
1_555 |
80 |
21 |
14434 |
772.8 |
-10.8 |
0.474 |
6 |
0 |
0 |
1.000 |
9 |
22 |
|
R |
63 |
19 |
2958 |
◊ |
P |
x,y,z |
1_555 |
78 |
26 |
14434 |
697.7 |
-9.8 |
0.598 |
4 |
0 |
0 |
0.377 |
10 |
23 |
|
L |
87 |
26 |
21298 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
83 |
26 |
21066 |
652.1 |
0.1 |
0.628 |
6 |
2 |
0 |
0.000 |
11 |
24 |
|
P |
56 |
19 |
14434 |
◊ |
M |
x,y,z |
1_555 |
62 |
19 |
21443 |
566.1 |
-5.2 |
0.363 |
4 |
2 |
0 |
0.113 |
25 |
|
G |
48 |
16 |
14682 |
◊ |
D |
x,y,z |
1_555 |
42 |
14 |
21482 |
458.7 |
-7.2 |
0.144 |
2 |
3 |
0 |
0.113 |
Average: |
512.4 |
-6.2 |
0.254 |
3 |
3 |
0 |
0.113 |
12 |
26 |
|
I |
52 |
17 |
4337 |
◊ |
H |
x,y,z |
1_555 |
64 |
24 |
7227 |
561.7 |
-9.4 |
0.552 |
6 |
6 |
0 |
1.000 |
13 |
27 |
|
G |
63 |
26 |
14682 |
◊ |
F |
x,y,z |
1_555 |
53 |
18 |
21116 |
551.5 |
-5.9 |
0.319 |
5 |
1 |
0 |
0.039 |
28 |
|
P |
53 |
22 |
14434 |
◊ |
O |
x,y,z |
1_555 |
46 |
13 |
21308 |
479.5 |
-5.0 |
0.341 |
2 |
1 |
0 |
0.039 |
Average: |
515.5 |
-5.4 |
0.330 |
4 |
1 |
0 |
0.039 |
14 |
29 |
|
P |
47 |
16 |
14434 |
◊ |
N |
x,y,z |
1_555 |
54 |
18 |
21463 |
541.8 |
-7.3 |
0.147 |
7 |
3 |
0 |
0.150 |
30 |
|
G |
45 |
16 |
14682 |
◊ |
E |
x,y,z |
1_555 |
46 |
18 |
21071 |
448.9 |
-6.1 |
0.162 |
5 |
2 |
0 |
0.150 |
Average: |
495.3 |
-6.7 |
0.155 |
6 |
3 |
0 |
0.150 |
15 |
31 |
|
G |
52 |
18 |
14682 |
◊ |
A |
x,y,z |
1_555 |
56 |
18 |
21066 |
504.8 |
-8.1 |
0.122 |
0 |
3 |
0 |
0.139 |
32 |
|
P |
54 |
21 |
14434 |
◊ |
J |
x,y,z |
1_555 |
51 |
16 |
21139 |
493.5 |
-5.7 |
0.227 |
2 |
2 |
0 |
0.139 |
Average: |
499.1 |
-6.9 |
0.175 |
1 |
3 |
0 |
0.139 |
16 |
33 |
|
Y |
57 |
23 |
12669 |
◊ |
X |
x,y,z |
1_555 |
44 |
14 |
21293 |
483.5 |
-5.5 |
0.399 |
3 |
2 |
0 |
0.047 |
17 |
34 |
|
Y |
39 |
14 |
12669 |
◊ |
W |
x,y,z |
1_555 |
46 |
16 |
21065 |
457.5 |
-7.0 |
0.140 |
3 |
0 |
0 |
0.085 |
18 |
35 |
|
Y |
47 |
16 |
12669 |
◊ |
S |
x,y,z |
1_555 |
55 |
18 |
20991 |
424.4 |
-6.3 |
0.263 |
1 |
2 |
0 |
0.071 |
19 |
36 |
|
1 |
37 |
17 |
2335 |
◊ |
Y |
x,y,z |
1_555 |
48 |
18 |
12669 |
416.5 |
-6.9 |
0.547 |
2 |
0 |
0 |
0.000 |
20 |
37 |
|
Y |
34 |
15 |
12669 |
◊ |
V |
x,y,z |
1_555 |
49 |
16 |
21717 |
407.1 |
-5.6 |
0.248 |
0 |
1 |
0 |
0.057 |
21 |
38 |
|
[ANP]D:600 |
30 |
1 |
620 |
f |
D |
x,y,z |
1_555 |
63 |
21 |
21482 |
399.4 |
-1.6 |
0.492 |
14 |
0 |
0 |
0.160 |
39 |
|
[ANP]F:600 |
31 |
1 |
617 |
f |
F |
x,y,z |
1_555 |
63 |
20 |
21116 |
394.8 |
-2.7 |
0.461 |
13 |
0 |
0 |
0.160 |
40 |
|
[ANP]V:600 |
31 |
1 |
626 |
f |
V |
x,y,z |
1_555 |
63 |
22 |
21717 |
393.1 |
-1.8 |
0.445 |
15 |
0 |
0 |
0.160 |
41 |
|
[ANP]O:600 |
31 |
1 |
617 |
f |
O |
x,y,z |
1_555 |
63 |
21 |
21308 |
386.7 |
-2.8 |
0.448 |
13 |
0 |
0 |
0.160 |
42 |
|
[ANP]X:600 |
31 |
1 |
628 |
f |
X |
x,y,z |
1_555 |
59 |
19 |
21293 |
384.8 |
-2.1 |
0.464 |
12 |
0 |
0 |
0.160 |
Average: |
391.8 |
-2.2 |
0.462 |
13 |
0 |
0 |
0.160 |
22 |
43 |
|
[ANP]M:600 |
30 |
1 |
622 |
f |
M |
x,y,z |
1_555 |
63 |
22 |
21443 |
380.7 |
-2.3 |
0.470 |
14 |
0 |
0 |
0.151 |
23 |
44 |
|
[ANP]U:600 |
31 |
1 |
620 |
f |
U |
x,y,z |
1_555 |
56 |
17 |
21255 |
377.2 |
-1.1 |
0.556 |
13 |
0 |
0 |
0.178 |
45 |
|
[ANP]T:600 |
30 |
1 |
627 |
f |
T |
x,y,z |
1_555 |
52 |
16 |
21681 |
369.6 |
0.1 |
0.630 |
14 |
0 |
0 |
0.178 |
46 |
|
[ANP]L:600 |
29 |
1 |
623 |
f |
L |
x,y,z |
1_555 |
46 |
17 |
21298 |
369.0 |
-0.8 |
0.552 |
13 |
0 |
0 |
0.178 |
47 |
|
[ANP]J:600 |
30 |
1 |
622 |
f |
J |
x,y,z |
1_555 |
45 |
16 |
21139 |
368.1 |
-1.7 |
0.513 |
11 |
0 |
0 |
0.178 |
48 |
|
[ANP]C:600 |
31 |
1 |
618 |
f |
C |
x,y,z |
1_555 |
51 |
17 |
21192 |
363.4 |
-0.8 |
0.577 |
11 |
0 |
0 |
0.178 |
49 |
|
[ANP]S:600 |
28 |
1 |
628 |
f |
S |
x,y,z |
1_555 |
53 |
19 |
20991 |
354.9 |
-1.7 |
0.481 |
12 |
0 |
0 |
0.178 |
50 |
|
[ANP]A:600 |
29 |
1 |
622 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
21066 |
342.7 |
-2.7 |
0.429 |
11 |
0 |
0 |
0.178 |
Average: |
363.5 |
-1.2 |
0.534 |
12 |
0 |
0 |
0.178 |
24 |
51 |
|
[ANP]B:600 |
31 |
1 |
619 |
f |
B |
x,y,z |
1_555 |
48 |
16 |
21825 |
362.7 |
-0.7 |
0.603 |
16 |
0 |
0 |
0.191 |
52 |
|
[ANP]K:600 |
30 |
1 |
618 |
f |
K |
x,y,z |
1_555 |
50 |
17 |
21568 |
357.9 |
-0.9 |
0.573 |
11 |
0 |
0 |
0.191 |
Average: |
360.3 |
-0.8 |
0.588 |
14 |
0 |
0 |
0.191 |
25 |
53 |
|
G |
32 |
11 |
14682 |
◊ |
C |
x,y,z |
1_555 |
41 |
15 |
21192 |
346.8 |
-1.0 |
0.563 |
3 |
1 |
0 |
0.009 |
26 |
54 |
|
X |
35 |
16 |
21293 |
◊ |
K |
x,y,z |
1_555 |
34 |
11 |
21568 |
328.1 |
-1.4 |
0.481 |
5 |
0 |
0 |
0.000 |
27 |
55 |
|
U |
34 |
9 |
21255 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
11 |
21482 |
297.3 |
2.0 |
0.791 |
3 |
0 |
0 |
0.000 |
28 |
56 |
|
M |
25 |
8 |
21443 |
◊ |
W |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
8 |
21065 |
280.2 |
0.7 |
0.598 |
3 |
3 |
0 |
0.000 |
29 |
57 |
|
Y |
20 |
11 |
12669 |
◊ |
T |
x,y,z |
1_555 |
35 |
12 |
21681 |
274.2 |
-2.7 |
0.356 |
2 |
0 |
0 |
0.037 |
30 |
58 |
|
U |
34 |
13 |
21255 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
11 |
21192 |
262.7 |
2.0 |
0.775 |
3 |
3 |
0 |
0.000 |
31 |
59 |
|
M |
30 |
10 |
21443 |
◊ |
S |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
7 |
20991 |
254.2 |
2.2 |
0.699 |
2 |
0 |
0 |
0.000 |
32 |
60 |
|
R |
28 |
11 |
2958 |
◊ |
Q |
x,y,z |
1_555 |
20 |
11 |
6065 |
254.1 |
-5.2 |
0.486 |
1 |
0 |
0 |
0.185 |
33 |
61 |
|
P |
30 |
11 |
14434 |
◊ |
K |
x,y,z |
1_555 |
32 |
14 |
21568 |
252.5 |
-2.2 |
0.440 |
1 |
1 |
0 |
0.022 |
62 |
|
G |
24 |
9 |
14682 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
21825 |
231.1 |
-2.2 |
0.402 |
1 |
5 |
0 |
0.022 |
Average: |
241.8 |
-2.2 |
0.421 |
1 |
3 |
0 |
0.022 |
34 |
63 |
|
P |
25 |
8 |
14434 |
◊ |
L |
x,y,z |
1_555 |
33 |
13 |
21298 |
246.4 |
-1.9 |
0.441 |
1 |
0 |
0 |
0.008 |
35 |
64 |
|
A |
26 |
10 |
21066 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
6 |
21192 |
227.5 |
-0.2 |
0.581 |
2 |
1 |
0 |
0.000 |
36 |
65 |
|
N |
26 |
13 |
21463 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
21071 |
193.8 |
3.2 |
0.889 |
3 |
1 |
0 |
0.000 |
37 |
66 |
|
H |
26 |
8 |
7227 |
◊ |
W |
x-1,y,z-1 |
1_454 |
21 |
5 |
21065 |
185.3 |
-3.6 |
0.296 |
0 |
0 |
0 |
0.000 |
38 |
67 |
|
H |
20 |
6 |
7227 |
◊ |
F |
x-1,y,z |
1_455 |
23 |
7 |
21116 |
177.0 |
0.9 |
0.876 |
3 |
0 |
0 |
0.000 |
39 |
68 |
|
Y |
18 |
7 |
12669 |
◊ |
U |
x,y,z |
1_555 |
24 |
12 |
21255 |
165.6 |
-0.0 |
0.618 |
3 |
0 |
0 |
0.007 |
40 |
69 |
|
[ANP]M:600 |
14 |
1 |
622 |
◊ |
L |
x,y,z |
1_555 |
20 |
6 |
21298 |
142.1 |
0.0 |
0.618 |
2 |
0 |
0 |
0.012 |
41 |
70 |
|
M |
15 |
5 |
21443 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
3 |
21482 |
138.8 |
0.7 |
0.719 |
0 |
1 |
0 |
0.000 |
42 |
71 |
|
B |
12 |
4 |
21825 |
◊ |
V |
x-1,y,z-1 |
1_454 |
17 |
4 |
21717 |
133.5 |
-1.7 |
0.323 |
0 |
0 |
0 |
0.000 |
43 |
72 |
|
[ANP]X:600 |
13 |
1 |
628 |
◊ |
T |
x,y,z |
1_555 |
16 |
5 |
21681 |
130.5 |
-0.1 |
0.581 |
2 |
0 |
0 |
0.015 |
73 |
|
[ANP]O:600 |
12 |
1 |
617 |
◊ |
K |
x,y,z |
1_555 |
17 |
6 |
21568 |
126.2 |
-0.8 |
0.525 |
2 |
0 |
0 |
0.015 |
74 |
|
[ANP]F:600 |
11 |
1 |
617 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
21825 |
122.9 |
-0.7 |
0.517 |
3 |
0 |
0 |
0.015 |
75 |
|
[ANP]V:600 |
10 |
1 |
626 |
◊ |
U |
x,y,z |
1_555 |
18 |
4 |
21255 |
112.8 |
1.5 |
0.722 |
2 |
0 |
0 |
0.015 |
76 |
|
[ANP]D:600 |
10 |
1 |
620 |
◊ |
C |
x,y,z |
1_555 |
16 |
3 |
21192 |
108.0 |
0.4 |
0.630 |
3 |
0 |
0 |
0.015 |
Average: |
120.1 |
0.1 |
0.595 |
2 |
0 |
0 |
0.015 |
44 |
77 |
|
N |
13 |
4 |
21463 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
21825 |
127.8 |
0.9 |
0.657 |
1 |
1 |
0 |
0.000 |
45 |
78 |
|
E |
15 |
4 |
21071 |
◊ |
T |
x,y,z |
1_555 |
16 |
5 |
21681 |
119.3 |
-1.0 |
0.441 |
0 |
0 |
0 |
0.000 |
46 |
79 |
|
X |
21 |
9 |
21293 |
◊ |
O |
x,y,z |
1_555 |
12 |
5 |
21308 |
114.1 |
1.8 |
0.788 |
0 |
0 |
0 |
0.000 |
47 |
80 |
|
[PO4]N:800 |
5 |
1 |
187 |
f |
N |
x,y,z |
1_555 |
14 |
9 |
21463 |
112.8 |
-5.9 |
0.806 |
6 |
0 |
0 |
0.180 |
48 |
81 |
|
G |
11 |
3 |
14682 |
◊ |
W |
x-1,y,z-1 |
1_454 |
14 |
4 |
21065 |
108.0 |
1.4 |
0.812 |
2 |
0 |
0 |
0.000 |
49 |
82 |
|
G |
13 |
4 |
14682 |
◊ |
S |
x-1,y,z-1 |
1_454 |
8 |
2 |
20991 |
107.7 |
-0.2 |
0.396 |
0 |
0 |
0 |
0.000 |
50 |
83 |
|
[ANP]U:600 |
11 |
1 |
620 |
◊ |
X |
x,y,z |
1_555 |
15 |
7 |
21293 |
95.1 |
0.0 |
0.600 |
0 |
0 |
0 |
0.002 |
84 |
|
[ANP]J:600 |
10 |
1 |
622 |
◊ |
M |
x,y,z |
1_555 |
13 |
7 |
21443 |
79.8 |
0.9 |
0.680 |
0 |
0 |
0 |
0.002 |
85 |
|
[ANP]C:600 |
9 |
1 |
618 |
◊ |
F |
x,y,z |
1_555 |
13 |
7 |
21116 |
72.9 |
0.2 |
0.629 |
0 |
0 |
0 |
0.002 |
86 |
|
[ANP]L:600 |
8 |
1 |
623 |
◊ |
O |
x,y,z |
1_555 |
11 |
7 |
21308 |
65.0 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.002 |
87 |
|
[ANP]A:600 |
9 |
1 |
622 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
21482 |
55.4 |
0.3 |
0.605 |
0 |
0 |
0 |
0.002 |
88 |
|
[ANP]S:600 |
8 |
1 |
628 |
◊ |
V |
x,y,z |
1_555 |
11 |
6 |
21717 |
51.8 |
0.3 |
0.617 |
0 |
0 |
0 |
0.002 |
Average: |
70.0 |
0.3 |
0.619 |
0 |
0 |
0 |
0.002 |
51 |
89 |
|
P |
12 |
3 |
14434 |
◊ |
J |
x-1,y,z |
1_455 |
16 |
6 |
21139 |
91.1 |
0.5 |
0.699 |
0 |
0 |
0 |
0.000 |
52 |
90 |
|
O |
7 |
3 |
21308 |
◊ |
M |
x,y,z |
1_555 |
6 |
3 |
21443 |
80.7 |
-2.0 |
0.106 |
0 |
0 |
0 |
0.010 |
91 |
|
F |
2 |
1 |
21116 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
21482 |
10.5 |
-0.3 |
0.325 |
0 |
0 |
0 |
0.010 |
92 |
|
X |
1 |
1 |
21293 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
21717 |
0.9 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.010 |
Average: |
30.7 |
-0.8 |
0.319 |
0 |
0 |
0 |
0.010 |
53 |
93 |
|
1 |
10 |
4 |
2335 |
◊ |
Z |
x,y,z |
1_555 |
6 |
3 |
1337 |
72.5 |
-2.1 |
0.539 |
0 |
0 |
0 |
0.000 |
54 |
94 |
|
E |
8 |
3 |
21071 |
◊ |
K |
x,y,z |
1_555 |
10 |
5 |
21568 |
63.2 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
55 |
95 |
|
[ANP]T:600 |
7 |
1 |
627 |
◊ |
W |
x,y,z |
1_555 |
8 |
2 |
21065 |
53.3 |
-2.0 |
0.339 |
0 |
0 |
0 |
0.049 |
96 |
|
[ANP]K:600 |
8 |
1 |
618 |
◊ |
N |
x,y,z |
1_555 |
10 |
2 |
21463 |
47.4 |
-0.8 |
0.512 |
0 |
0 |
0 |
0.049 |
97 |
|
[ANP]B:600 |
6 |
1 |
619 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
21071 |
33.7 |
-0.7 |
0.479 |
0 |
0 |
0 |
0.049 |
Average: |
44.8 |
-1.2 |
0.443 |
0 |
0 |
0 |
0.049 |
56 |
98 |
|
A |
5 |
1 |
21066 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
21116 |
52.0 |
0.5 |
0.748 |
0 |
0 |
0 |
0.000 |
57 |
99 |
|
F |
6 |
1 |
21116 |
◊ |
S |
x,y,z-1 |
1_554 |
7 |
3 |
20991 |
46.0 |
0.5 |
0.708 |
0 |
0 |
0 |
0.000 |
58 |
100 |
|
[MG]U:700 |
1 |
1 |
98 |
f |
U |
x,y,z |
1_555 |
9 |
5 |
21255 |
44.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.130 |
101 |
|
[MG]B:700 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21825 |
44.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.130 |
102 |
|
[MG]C:700 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
21192 |
43.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.130 |
103 |
|
[MG]T:700 |
1 |
1 |
98 |
f |
T |
x,y,z |
1_555 |
8 |
5 |
21681 |
43.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.130 |
104 |
|
[MG]K:700 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
10 |
6 |
21568 |
42.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.130 |
105 |
|
[MG]A:700 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21066 |
42.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.130 |
106 |
|
[MG]S:700 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
10 |
6 |
20991 |
42.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.130 |
107 |
|
[MG]L:700 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
21298 |
42.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.130 |
108 |
|
[MG]J:700 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
21139 |
39.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
42.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.130 |
59 |
109 |
|
[MG]D:700 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
21482 |
43.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.102 |
110 |
|
[MG]O:700 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
9 |
6 |
21308 |
40.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.102 |
111 |
|
[MG]F:700 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
21116 |
38.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.102 |
112 |
|
[MG]M:700 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
9 |
6 |
21443 |
37.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.102 |
113 |
|
[MG]X:700 |
1 |
1 |
98 |
f |
X |
x,y,z |
1_555 |
11 |
5 |
21293 |
37.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.102 |
114 |
|
[MG]V:700 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
10 |
6 |
21717 |
36.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.102 |
Average: |
38.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.102 |
60 |
115 |
|
[PO4]N:800 |
4 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
21139 |
41.9 |
-0.7 |
0.965 |
2 |
0 |
0 |
0.022 |
61 |
116 |
|
[MG]J:700 |
1 |
1 |
98 |
f |
[ANP]J:600 |
x,y,z |
1_555 |
6 |
1 |
622 |
39.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.176 |
117 |
|
[MG]A:700 |
1 |
1 |
98 |
f |
[ANP]A:600 |
x,y,z |
1_555 |
4 |
1 |
622 |
38.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.176 |
118 |
|
[MG]L:700 |
1 |
1 |
98 |
f |
[ANP]L:600 |
x,y,z |
1_555 |
4 |
1 |
623 |
37.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.176 |
119 |
|
[MG]U:700 |
1 |
1 |
98 |
f |
[ANP]U:600 |
x,y,z |
1_555 |
3 |
1 |
620 |
37.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.176 |
120 |
|
[MG]B:700 |
1 |
1 |
98 |
f |
[ANP]B:600 |
x,y,z |
1_555 |
3 |
1 |
619 |
37.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.176 |
121 |
|
[MG]C:700 |
1 |
1 |
98 |
f |
[ANP]C:600 |
x,y,z |
1_555 |
5 |
1 |
618 |
36.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.176 |
122 |
|
[MG]S:700 |
1 |
1 |
98 |
f |
[ANP]S:600 |
x,y,z |
1_555 |
4 |
1 |
628 |
36.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.176 |
123 |
|
[MG]K:700 |
1 |
1 |
98 |
f |
[ANP]K:600 |
x,y,z |
1_555 |
5 |
1 |
618 |
36.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.176 |
124 |
|
[MG]T:700 |
1 |
1 |
98 |
f |
[ANP]T:600 |
x,y,z |
1_555 |
5 |
1 |
627 |
35.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.176 |
125 |
|
[MG]F:700 |
1 |
1 |
98 |
f |
[ANP]F:600 |
x,y,z |
1_555 |
5 |
1 |
617 |
31.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.176 |
126 |
|
[MG]D:700 |
1 |
1 |
98 |
f |
[ANP]D:600 |
x,y,z |
1_555 |
6 |
1 |
620 |
30.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.176 |
127 |
|
[MG]O:700 |
1 |
1 |
98 |
f |
[ANP]O:600 |
x,y,z |
1_555 |
5 |
1 |
617 |
30.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.176 |
128 |
|
[MG]X:700 |
1 |
1 |
98 |
f |
[ANP]X:600 |
x,y,z |
1_555 |
5 |
1 |
628 |
30.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.176 |
129 |
|
[MG]V:700 |
1 |
1 |
98 |
f |
[ANP]V:600 |
x,y,z |
1_555 |
5 |
1 |
626 |
29.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.176 |
130 |
|
[MG]M:700 |
1 |
1 |
98 |
f |
[ANP]M:600 |
x,y,z |
1_555 |
4 |
1 |
622 |
29.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.176 |
Average: |
34.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.176 |
62 |
131 |
|
P |
4 |
2 |
14434 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
5 |
3 |
14682 |
37.6 |
-0.7 |
0.404 |
0 |
0 |
0 |
0.000 |
63 |
132 |
|
H |
4 |
2 |
7227 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
21192 |
30.5 |
0.4 |
0.604 |
0 |
0 |
0 |
0.000 |
64 |
133 |
|
B |
3 |
1 |
21825 |
◊ |
T |
x,y,z-1 |
1_554 |
4 |
1 |
21681 |
30.0 |
0.8 |
0.785 |
0 |
0 |
0 |
0.000 |
65 |
134 |
|
B |
2 |
1 |
21825 |
◊ |
S |
x-1,y,z-1 |
1_454 |
5 |
3 |
20991 |
27.8 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
66 |
135 |
|
F |
3 |
1 |
21116 |
◊ |
W |
x,y,z-1 |
1_554 |
2 |
1 |
21065 |
25.9 |
1.0 |
0.897 |
1 |
0 |
0 |
0.000 |
67 |
136 |
|
L |
3 |
3 |
21298 |
◊ |
W |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
21065 |
25.9 |
-0.5 |
0.324 |
0 |
0 |
0 |
0.000 |
68 |
137 |
|
J |
2 |
1 |
21139 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
2 |
2 |
4337 |
22.0 |
0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
69 |
138 |
|
[MG]M:700 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
21298 |
8.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
139 |
|
[MG]V:700 |
1 |
1 |
98 |
◊ |
U |
x,y,z |
1_555 |
1 |
1 |
21255 |
8.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
140 |
|
[MG]F:700 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21825 |
7.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
141 |
|
[MG]O:700 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
21568 |
7.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
142 |
|
[MG]D:700 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21192 |
5.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
143 |
|
[MG]X:700 |
1 |
1 |
98 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
21681 |
3.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
6.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
70 |
144 |
|
O |
1 |
1 |
21308 |
◊ |
U |
x-1,y,z |
1_455 |
1 |
1 |
21255 |
3.0 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
71 |
145 |
|
L |
2 |
2 |
21298 |
◊ |
T |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
21681 |
2.6 |
0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
72 |
146 |
|
I |
1 |
1 |
4337 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21192 |
1.3 |
0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
73 |
147 |
|
K |
1 |
1 |
21568 |
◊ |
Y |
x-1,y,z |
1_455 |
1 |
1 |
12669 |
0.2 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
|