## |
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 |
|
B |
175 |
47 |
15374 |
◊ |
A |
x,y,z |
1_555 |
168 |
42 |
15562 |
1644.6 |
-27.0 |
0.021 |
23 |
2 |
0 |
0.143 |
2 |
|
D |
160 |
43 |
15437 |
◊ |
C |
x,y,z |
1_555 |
168 |
46 |
15557 |
1611.1 |
-25.3 |
0.029 |
21 |
3 |
0 |
0.143 |
Average: |
1627.9 |
-26.2 |
0.025 |
22 |
3 |
0 |
0.143 |
2 |
3 |
|
[NAD]D:4377 |
43 |
1 |
858 |
f |
D |
x,y,z |
1_555 |
69 |
35 |
15437 |
575.2 |
-5.8 |
0.580 |
16 |
0 |
0 |
0.110 |
4 |
|
[NAD]A:1377 |
43 |
1 |
856 |
f |
A |
x,y,z |
1_555 |
66 |
34 |
15562 |
571.9 |
-5.8 |
0.548 |
16 |
0 |
0 |
0.110 |
5 |
|
[NAD]B:2377 |
44 |
1 |
856 |
f |
B |
x,y,z |
1_555 |
64 |
34 |
15374 |
568.6 |
-8.0 |
0.396 |
14 |
0 |
0 |
0.110 |
6 |
|
[NAD]C:3377 |
42 |
1 |
851 |
f |
C |
x,y,z |
1_555 |
71 |
34 |
15557 |
561.7 |
-6.1 |
0.545 |
18 |
0 |
0 |
0.110 |
Average: |
569.4 |
-6.4 |
0.517 |
16 |
0 |
0 |
0.110 |
3 |
7 |
|
A |
56 |
21 |
15562 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
57 |
23 |
15437 |
545.2 |
0.2 |
0.771 |
6 |
0 |
0 |
0.000 |
4 |
8 |
|
A |
27 |
9 |
15562 |
◊ |
C |
x-1,y,z-1 |
1_454 |
35 |
15 |
15557 |
282.6 |
0.2 |
0.655 |
3 |
4 |
0 |
0.006 |
5 |
9 |
|
B |
27 |
12 |
15374 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
11 |
15437 |
247.9 |
-0.1 |
0.714 |
1 |
5 |
0 |
0.004 |
6 |
10 |
|
D |
22 |
8 |
15437 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
15374 |
227.8 |
1.2 |
0.792 |
3 |
2 |
0 |
0.000 |
7 |
11 |
|
A |
20 |
7 |
15562 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
4 |
15557 |
168.1 |
1.5 |
0.749 |
4 |
3 |
0 |
0.000 |
12 |
|
B |
16 |
5 |
15374 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
15437 |
159.1 |
1.5 |
0.752 |
3 |
3 |
0 |
0.000 |
Average: |
163.6 |
1.5 |
0.750 |
4 |
3 |
0 |
0.000 |
8 |
13 |
|
[CAC]B:995 |
5 |
1 |
232 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
15374 |
99.8 |
2.2 |
0.226 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
15 |
6 |
15557 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
15374 |
96.2 |
-0.7 |
0.555 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[ACT]D:509 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
15437 |
92.2 |
0.6 |
0.734 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[CAC]A:994 |
4 |
1 |
231 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
15562 |
87.4 |
2.3 |
0.292 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[ACT]A:502 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
15562 |
85.3 |
0.2 |
0.807 |
2 |
0 |
0 |
0.002 |
13 |
18 |
|
[CAC]A:994 |
4 |
1 |
231 |
f |
D |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
5 |
15437 |
83.9 |
2.0 |
0.286 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[ACT]A:501 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15562 |
82.7 |
-1.8 |
0.253 |
4 |
0 |
0 |
0.013 |
15 |
20 |
|
[ACT]B:506 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
15374 |
81.0 |
-1.8 |
0.218 |
3 |
0 |
0 |
0.009 |
16 |
21 |
|
[ACT]D:511 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
15437 |
81.0 |
-2.1 |
0.206 |
3 |
0 |
0 |
0.014 |
17 |
22 |
|
[ACT]C:505 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
15557 |
80.6 |
-1.7 |
0.266 |
4 |
0 |
0 |
0.014 |
18 |
23 |
|
A |
9 |
4 |
15562 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
15437 |
74.6 |
1.4 |
0.839 |
1 |
2 |
0 |
0.000 |
24 |
|
A |
6 |
3 |
15562 |
◊ |
D |
x-1,y,z-1 |
1_454 |
7 |
4 |
15437 |
41.1 |
0.7 |
0.774 |
0 |
0 |
0 |
0.000 |
Average: |
57.8 |
1.0 |
0.807 |
1 |
1 |
0 |
0.000 |
19 |
25 |
|
[CAC]B:991 |
4 |
1 |
232 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
4 |
15437 |
70.3 |
2.4 |
0.432 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15562 |
64.6 |
-1.0 |
0.319 |
1 |
0 |
0 |
0.005 |
21 |
27 |
|
[CAC]B:995 |
4 |
1 |
232 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15562 |
64.5 |
2.0 |
0.289 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[ACT]C:510 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
15557 |
64.5 |
-0.5 |
0.311 |
0 |
0 |
0 |
0.002 |
23 |
29 |
|
[ACT]D:508 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
15437 |
62.3 |
0.6 |
0.794 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
[ACT]A:513 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
15562 |
62.2 |
-0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[ACT]B:507 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
15374 |
62.0 |
-0.6 |
0.347 |
1 |
0 |
0 |
0.003 |
26 |
32 |
|
[ACT]D:512 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
15437 |
61.0 |
0.1 |
0.735 |
1 |
0 |
0 |
0.001 |
27 |
33 |
|
[CAC]B:991 |
4 |
1 |
232 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15374 |
58.7 |
1.5 |
0.306 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
B |
6 |
3 |
15374 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
15374 |
57.6 |
-0.3 |
0.575 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[ACT]D:514 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
15437 |
55.3 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[NAD]C:3377 |
9 |
1 |
851 |
f |
[ACT]C:505 |
x,y,z |
1_555 |
4 |
1 |
181 |
44.8 |
-0.8 |
0.647 |
0 |
0 |
0 |
0.003 |
31 |
37 |
|
[CAC]B:993 |
5 |
1 |
230 |
f |
[CAC]B:992 |
x,y,z |
1_555 |
4 |
1 |
233 |
44.2 |
1.3 |
0.007 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[NAD]B:2377 |
9 |
1 |
856 |
f |
[ACT]B:506 |
x,y,z |
1_555 |
4 |
1 |
182 |
43.1 |
-0.6 |
0.659 |
0 |
0 |
0 |
0.002 |
33 |
39 |
|
[NAD]A:1377 |
10 |
1 |
856 |
f |
[ACT]A:501 |
x,y,z |
1_555 |
4 |
1 |
183 |
43.0 |
-0.6 |
0.665 |
0 |
0 |
0 |
0.002 |
34 |
40 |
|
[CAC]B:993 |
4 |
1 |
230 |
f |
[CAC]B:991 |
x,y,z |
1_555 |
4 |
1 |
232 |
40.6 |
1.7 |
0.053 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[ZN]D:409 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
15437 |
40.1 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.129 |
42 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
15562 |
40.0 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.129 |
43 |
|
[ZN]C:407 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
15557 |
39.0 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.129 |
44 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
15374 |
38.4 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
39.4 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.129 |
36 |
45 |
|
[ACT]D:508 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15374 |
40.1 |
-0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[NAD]D:4377 |
9 |
1 |
858 |
f |
[ACT]D:511 |
x,y,z |
1_555 |
4 |
1 |
182 |
40.0 |
-0.4 |
0.671 |
0 |
0 |
0 |
0.001 |
38 |
47 |
|
[ZN]D:410 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
15437 |
39.3 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.112 |
48 |
|
[ZN]A:408 |
1 |
1 |
98 |
◊ |
C |
x-1,y,z-1 |
1_454 |
8 |
4 |
15557 |
31.2 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.112 |
49 |
|
[ZN]B:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
15374 |
30.9 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.112 |
50 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15562 |
27.4 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
32.2 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.112 |
39 |
51 |
|
[ZN]A:408 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15562 |
38.6 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.085 |
52 |
|
[ZN]B:404 |
1 |
1 |
98 |
cf |
D |
x-1,y,z |
1_455 |
7 |
3 |
15437 |
35.9 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
37.2 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.085 |
40 |
53 |
|
[NAD]B:2377 |
2 |
1 |
856 |
f |
[ACT]B:507 |
x,y,z |
1_555 |
3 |
1 |
182 |
37.9 |
0.9 |
0.855 |
2 |
0 |
0 |
0.000 |
41 |
54 |
|
[NAD]C:3377 |
3 |
1 |
851 |
f |
[ACT]C:510 |
x,y,z |
1_555 |
4 |
1 |
183 |
37.8 |
0.6 |
0.795 |
1 |
0 |
0 |
0.000 |
42 |
55 |
|
[NAD]A:1377 |
4 |
1 |
856 |
f |
[ACT]A:504 |
x,y,z |
1_555 |
3 |
1 |
183 |
37.5 |
0.6 |
0.722 |
1 |
0 |
0 |
0.000 |
43 |
56 |
|
[ACT]D:514 |
3 |
1 |
184 |
f |
[ZN]D:410 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.3 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.168 |
57 |
|
[ACT]A:513 |
3 |
1 |
183 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.168 |
58 |
|
[ACT]C:510 |
3 |
1 |
183 |
f |
[ZN]C:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.168 |
59 |
|
[ACT]A:502 |
3 |
1 |
182 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.168 |
60 |
|
[ACT]B:507 |
3 |
1 |
182 |
cf |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.168 |
61 |
|
[ACT]A:504 |
3 |
1 |
183 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.168 |
62 |
|
[ACT]D:512 |
3 |
1 |
182 |
f |
[ZN]D:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.168 |
63 |
|
[ACT]D:509 |
3 |
1 |
181 |
f |
[ZN]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.168 |
64 |
|
[ACT]D:508 |
3 |
1 |
181 |
f |
[ZN]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
28.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.168 |
44 |
65 |
|
[CAC]B:993 |
3 |
1 |
230 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
15374 |
36.0 |
0.6 |
0.209 |
0 |
0 |
0 |
0.000 |
45 |
66 |
|
[ACT]D:509 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
15374 |
34.4 |
0.5 |
0.831 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[NAD]C:3377 |
3 |
1 |
851 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15437 |
33.7 |
-0.3 |
0.243 |
0 |
0 |
0 |
0.003 |
68 |
|
[NAD]D:4377 |
4 |
1 |
858 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15557 |
31.9 |
-0.5 |
0.241 |
0 |
0 |
0 |
0.003 |
69 |
|
[NAD]B:2377 |
4 |
1 |
856 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15562 |
31.5 |
-0.5 |
0.235 |
0 |
0 |
0 |
0.003 |
70 |
|
[NAD]A:1377 |
4 |
1 |
856 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15374 |
31.2 |
-0.4 |
0.250 |
0 |
0 |
0 |
0.003 |
Average: |
32.1 |
-0.4 |
0.242 |
0 |
0 |
0 |
0.003 |
47 |
71 |
|
[CAC]B:993 |
2 |
1 |
230 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
3 |
15437 |
31.9 |
1.4 |
0.542 |
0 |
0 |
0 |
0.000 |
48 |
72 |
|
[ZN]A:376 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
15562 |
31.8 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.192 |
73 |
|
[ZN]C:376 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
15557 |
31.3 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.192 |
74 |
|
[ZN]B:376 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
15374 |
30.9 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.192 |
75 |
|
[ZN]D:376 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
15437 |
30.7 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.192 |
Average: |
31.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.192 |
49 |
76 |
|
[NAD]B:2377 |
3 |
1 |
856 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.104 |
77 |
|
[NAD]D:4377 |
3 |
1 |
858 |
f |
[ZN]D:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.104 |
78 |
|
[NAD]A:1377 |
3 |
1 |
856 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.104 |
79 |
|
[NAD]C:3377 |
3 |
1 |
851 |
f |
[ZN]C:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
29.8 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.104 |
50 |
80 |
|
[CAC]B:992 |
4 |
1 |
233 |
f |
[CAC]B:991 |
x,y,z |
1_555 |
4 |
1 |
232 |
30.8 |
0.6 |
0.014 |
0 |
0 |
0 |
0.000 |
51 |
81 |
|
[NAD]D:4377 |
4 |
1 |
858 |
f |
[ACT]D:512 |
x,y,z |
1_555 |
4 |
1 |
182 |
30.6 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
52 |
82 |
|
[ZN]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15374 |
28.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.031 |
53 |
83 |
|
[ACT]A:513 |
3 |
1 |
183 |
f |
[ACT]A:502 |
x,y,z |
1_555 |
3 |
1 |
182 |
28.3 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
54 |
84 |
|
[CAC]B:992 |
3 |
1 |
233 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
15374 |
27.3 |
0.9 |
0.227 |
0 |
0 |
0 |
0.000 |
55 |
85 |
|
[CAC]B:993 |
3 |
1 |
230 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
26.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.029 |
56 |
86 |
|
[ZN]B:406 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
15374 |
26.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.030 |
57 |
87 |
|
[ZN]B:405 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
15437 |
26.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
88 |
|
[CAC]B:992 |
4 |
1 |
233 |
f |
[ZN]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.071 |
89 |
|
[CAC]B:993 |
4 |
1 |
230 |
f |
[ZN]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.071 |
90 |
|
[CAC]B:991 |
4 |
1 |
232 |
cf |
[ZN]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
23.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.071 |
59 |
91 |
|
[CAC]B:992 |
2 |
1 |
233 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
3 |
15437 |
25.5 |
0.8 |
0.412 |
0 |
0 |
0 |
0.000 |
60 |
92 |
|
[CAC]B:992 |
4 |
1 |
233 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
25.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.046 |
93 |
|
[CAC]B:991 |
4 |
1 |
232 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
19.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
22.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.046 |
61 |
94 |
|
[ACT]D:509 |
3 |
1 |
181 |
f |
[ACT]D:508 |
x,y,z |
1_555 |
3 |
1 |
181 |
23.3 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
62 |
95 |
|
[ACT]D:511 |
2 |
1 |
182 |
f |
[ZN]D:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.071 |
96 |
|
[ACT]C:505 |
2 |
1 |
181 |
f |
[ZN]C:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.071 |
97 |
|
[ACT]A:501 |
3 |
1 |
183 |
f |
[ZN]A:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
21.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.071 |
63 |
98 |
|
[ACT]B:506 |
3 |
1 |
182 |
f |
[ZN]B:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.026 |
64 |
99 |
|
[ZN]D:411 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
15437 |
19.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.022 |
65 |
100 |
|
[NAD]D:4377 |
3 |
1 |
858 |
f |
[ZN]D:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.058 |
101 |
|
[NAD]C:3377 |
3 |
1 |
851 |
f |
[ZN]C:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.058 |
102 |
|
[NAD]B:2377 |
3 |
1 |
856 |
f |
[ZN]B:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.058 |
103 |
|
[NAD]A:1377 |
3 |
1 |
856 |
f |
[ZN]A:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
18.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.058 |
66 |
104 |
|
[CAC]B:995 |
1 |
1 |
232 |
f |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
15437 |
13.6 |
0.8 |
0.733 |
0 |
0 |
0 |
0.000 |
67 |
105 |
|
[ZN]B:406 |
1 |
1 |
98 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
8.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.019 |
68 |
106 |
|
[CAC]B:991 |
2 |
1 |
232 |
◊ |
[ZN]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.009 |
69 |
107 |
|
[ACT]D:511 |
1 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15557 |
5.9 |
-0.0 |
0.382 |
0 |
0 |
0 |
0.000 |
70 |
108 |
|
[ACT]C:505 |
1 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15437 |
5.5 |
-0.0 |
0.384 |
0 |
0 |
0 |
0.000 |
71 |
109 |
|
[ACT]B:506 |
2 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15562 |
4.6 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
72 |
110 |
|
[ACT]A:501 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15374 |
3.9 |
-0.0 |
0.422 |
0 |
0 |
0 |
0.000 |
73 |
111 |
|
C |
2 |
1 |
15557 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
15374 |
2.2 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
74 |
112 |
|
B |
1 |
1 |
15374 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
1.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
|