## |
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 |
170 |
46 |
15510 |
◊ |
A |
x,y,z |
1_555 |
163 |
42 |
15763 |
1620.8 |
-26.4 |
0.023 |
23 |
2 |
0 |
0.146 |
2 |
|
D |
160 |
43 |
15706 |
◊ |
C |
x,y,z |
1_555 |
165 |
46 |
15749 |
1612.8 |
-26.2 |
0.024 |
21 |
2 |
0 |
0.146 |
Average: |
1616.8 |
-26.3 |
0.023 |
22 |
2 |
0 |
0.146 |
2 |
3 |
|
[NAD]C:3377 |
43 |
1 |
863 |
f |
C |
x,y,z |
1_555 |
77 |
35 |
15749 |
585.0 |
-6.2 |
0.570 |
16 |
0 |
0 |
0.105 |
4 |
|
[NAD]A:1377 |
43 |
1 |
858 |
f |
A |
x,y,z |
1_555 |
70 |
35 |
15763 |
579.1 |
-6.7 |
0.520 |
17 |
0 |
0 |
0.105 |
5 |
|
[NAD]D:4377 |
43 |
1 |
855 |
f |
D |
x,y,z |
1_555 |
69 |
35 |
15706 |
575.4 |
-5.8 |
0.571 |
15 |
0 |
0 |
0.105 |
6 |
|
[NAD]B:2377 |
43 |
1 |
858 |
f |
B |
x,y,z |
1_555 |
70 |
34 |
15510 |
574.2 |
-8.0 |
0.414 |
14 |
0 |
0 |
0.105 |
Average: |
578.4 |
-6.7 |
0.519 |
16 |
0 |
0 |
0.105 |
3 |
7 |
|
A |
54 |
21 |
15763 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
20 |
15706 |
532.3 |
-1.4 |
0.675 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
A |
33 |
11 |
15763 |
◊ |
C |
x-1,y,z-1 |
1_454 |
34 |
15 |
15749 |
316.2 |
0.1 |
0.716 |
3 |
4 |
0 |
0.007 |
5 |
9 |
|
B |
27 |
11 |
15510 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
11 |
15706 |
250.3 |
0.5 |
0.764 |
1 |
4 |
0 |
0.001 |
6 |
10 |
|
D |
24 |
8 |
15706 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
15510 |
235.0 |
2.3 |
0.884 |
5 |
3 |
0 |
0.000 |
7 |
11 |
|
A |
16 |
6 |
15763 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
15749 |
160.1 |
0.8 |
0.588 |
1 |
2 |
0 |
0.000 |
12 |
|
B |
16 |
4 |
15510 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
15706 |
155.1 |
1.1 |
0.657 |
3 |
3 |
0 |
0.000 |
Average: |
157.6 |
0.9 |
0.622 |
2 |
3 |
0 |
0.000 |
8 |
13 |
|
[CAC]B:555 |
5 |
1 |
230 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
15510 |
97.9 |
2.0 |
0.191 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
13 |
5 |
15749 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
15510 |
95.2 |
-0.9 |
0.499 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[ACT]D:509 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
15706 |
90.8 |
0.5 |
0.802 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[CAC]A:554 |
4 |
1 |
232 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
15763 |
87.0 |
2.5 |
0.307 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[CAC]A:554 |
4 |
1 |
232 |
f |
D |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
15706 |
86.4 |
2.1 |
0.275 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[ACT]A:501 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15763 |
84.9 |
-1.9 |
0.192 |
3 |
0 |
0 |
0.012 |
14 |
19 |
|
[ACT]D:511 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
15706 |
81.6 |
-1.7 |
0.278 |
4 |
0 |
0 |
0.014 |
15 |
20 |
|
[ACT]A:502 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
15763 |
81.3 |
0.1 |
0.784 |
1 |
0 |
0 |
0.001 |
16 |
21 |
|
[ACT]C:505 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
15749 |
80.7 |
-1.7 |
0.238 |
4 |
0 |
0 |
0.014 |
17 |
22 |
|
[ACT]B:506 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
15510 |
78.2 |
-1.8 |
0.181 |
4 |
0 |
0 |
0.010 |
18 |
23 |
|
[CAC]B:551 |
4 |
1 |
231 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
4 |
15706 |
71.1 |
2.5 |
0.431 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[ACT]A:504 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15763 |
63.4 |
-0.8 |
0.325 |
1 |
0 |
0 |
0.005 |
20 |
25 |
|
[ACT]B:507 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
15510 |
61.7 |
-0.6 |
0.355 |
1 |
0 |
0 |
0.003 |
21 |
26 |
|
[ACT]D:512 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
15706 |
61.6 |
-0.1 |
0.714 |
1 |
0 |
0 |
0.002 |
22 |
27 |
|
[CAC]B:555 |
4 |
1 |
230 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15763 |
61.6 |
2.0 |
0.288 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[ACT]D:508 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
15706 |
59.3 |
0.6 |
0.788 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[CAC]B:551 |
4 |
1 |
231 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15510 |
59.0 |
1.4 |
0.297 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[ACT]C:510 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
15749 |
58.8 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[ACT]A:513 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15763 |
57.0 |
-0.0 |
0.728 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
A |
10 |
4 |
15763 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
4 |
15706 |
56.2 |
0.8 |
0.779 |
0 |
2 |
0 |
0.000 |
33 |
|
A |
6 |
3 |
15763 |
◊ |
D |
x-1,y,z-1 |
1_454 |
7 |
4 |
15706 |
32.8 |
0.8 |
0.800 |
0 |
1 |
0 |
0.000 |
Average: |
44.5 |
0.8 |
0.789 |
0 |
2 |
0 |
0.000 |
28 |
34 |
|
B |
7 |
3 |
15510 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
15510 |
55.7 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[ACT]D:514 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
15706 |
50.6 |
0.2 |
0.719 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[CAC]B:553 |
3 |
1 |
230 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15510 |
46.9 |
1.2 |
0.335 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[CAC]B:553 |
4 |
1 |
230 |
f |
[CAC]B:552 |
x,y,z |
1_555 |
4 |
1 |
232 |
46.3 |
1.4 |
0.028 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[NAD]C:3377 |
10 |
1 |
863 |
f |
[ACT]C:505 |
x,y,z |
1_555 |
4 |
1 |
184 |
45.3 |
-0.7 |
0.666 |
0 |
0 |
0 |
0.003 |
33 |
39 |
|
[NAD]D:4377 |
10 |
1 |
855 |
f |
[ACT]D:511 |
x,y,z |
1_555 |
4 |
1 |
182 |
45.0 |
-0.8 |
0.670 |
0 |
0 |
0 |
0.003 |
34 |
40 |
|
[NAD]A:1377 |
10 |
1 |
858 |
f |
[ACT]A:501 |
x,y,z |
1_555 |
4 |
1 |
182 |
44.1 |
-0.6 |
0.673 |
0 |
0 |
0 |
0.002 |
35 |
41 |
|
[NAD]B:2377 |
9 |
1 |
858 |
f |
[ACT]B:506 |
x,y,z |
1_555 |
4 |
1 |
182 |
43.9 |
-0.7 |
0.654 |
0 |
0 |
0 |
0.002 |
36 |
42 |
|
[ACT]D:508 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15510 |
41.5 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15763 |
39.9 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.125 |
44 |
|
[ZN]D:409 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
15706 |
39.3 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.125 |
45 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
15510 |
38.8 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.125 |
46 |
|
[ZN]C:407 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
15749 |
38.5 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
39.1 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.125 |
38 |
47 |
|
[ZN]D:410 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
15706 |
39.5 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.112 |
48 |
|
[ZN]A:408 |
1 |
1 |
98 |
◊ |
C |
x-1,y,z-1 |
1_454 |
8 |
4 |
15749 |
31.9 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.112 |
49 |
|
[ZN]B:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
15510 |
31.5 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.112 |
50 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15763 |
28.2 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
32.8 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.112 |
39 |
51 |
|
[NAD]B:2377 |
2 |
1 |
858 |
f |
[ACT]B:507 |
x,y,z |
1_555 |
3 |
1 |
182 |
39.4 |
0.9 |
0.856 |
2 |
0 |
0 |
0.000 |
40 |
52 |
|
[ZN]A:408 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
5 |
3 |
15763 |
38.6 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.084 |
53 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
D |
x-1,y,z |
1_455 |
7 |
3 |
15706 |
36.1 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
37.3 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.084 |
41 |
54 |
|
[CAC]B:553 |
4 |
1 |
230 |
f |
[CAC]B:551 |
x,y,z |
1_555 |
4 |
1 |
231 |
38.2 |
1.4 |
0.053 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[ACT]D:514 |
3 |
1 |
185 |
cf |
[ZN]D:410 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.4 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.100 |
43 |
56 |
|
[NAD]C:3377 |
2 |
1 |
863 |
f |
[ACT]C:510 |
x,y,z |
1_555 |
4 |
1 |
183 |
36.2 |
0.6 |
0.812 |
1 |
0 |
0 |
0.000 |
44 |
57 |
|
[NAD]A:1377 |
4 |
1 |
858 |
f |
[ACT]A:504 |
x,y,z |
1_555 |
3 |
1 |
182 |
35.3 |
0.6 |
0.809 |
1 |
0 |
0 |
0.000 |
45 |
58 |
|
[NAD]C:3377 |
3 |
1 |
863 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15706 |
32.3 |
-0.3 |
0.250 |
0 |
0 |
0 |
0.003 |
59 |
|
[NAD]B:2377 |
4 |
1 |
858 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15763 |
31.4 |
-0.4 |
0.248 |
0 |
0 |
0 |
0.003 |
60 |
|
[NAD]A:1377 |
3 |
1 |
858 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15510 |
31.2 |
-0.3 |
0.257 |
0 |
0 |
0 |
0.003 |
61 |
|
[NAD]D:4377 |
3 |
1 |
855 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15749 |
29.1 |
-0.4 |
0.283 |
0 |
0 |
0 |
0.003 |
Average: |
31.0 |
-0.4 |
0.259 |
0 |
0 |
0 |
0.003 |
46 |
62 |
|
[ZN]A:376 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15763 |
32.3 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.187 |
63 |
|
[ZN]C:376 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
15749 |
31.0 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.187 |
64 |
|
[ZN]B:376 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
15510 |
30.9 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.187 |
65 |
|
[ZN]D:376 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
15706 |
30.3 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.187 |
Average: |
31.1 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.187 |
47 |
66 |
|
[NAD]D:4377 |
3 |
1 |
855 |
f |
[ACT]D:512 |
x,y,z |
1_555 |
4 |
1 |
182 |
32.1 |
0.3 |
0.792 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
[CAC]B:552 |
4 |
1 |
232 |
f |
[CAC]B:551 |
x,y,z |
1_555 |
3 |
1 |
231 |
31.0 |
0.7 |
0.028 |
0 |
0 |
0 |
0.000 |
49 |
68 |
|
[NAD]D:4377 |
3 |
1 |
855 |
f |
[ZN]D:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.104 |
69 |
|
[NAD]A:1377 |
4 |
1 |
858 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.104 |
70 |
|
[NAD]B:2377 |
3 |
1 |
858 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.104 |
71 |
|
[NAD]C:3377 |
3 |
1 |
863 |
f |
[ZN]C:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
30.2 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.104 |
50 |
72 |
|
[ACT]D:509 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
15510 |
30.6 |
0.3 |
0.816 |
0 |
0 |
0 |
0.000 |
51 |
73 |
|
[ACT]C:510 |
3 |
1 |
183 |
f |
[ZN]C:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.166 |
74 |
|
[ACT]A:502 |
3 |
1 |
181 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.166 |
75 |
|
[ACT]A:513 |
3 |
1 |
181 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.166 |
76 |
|
[ACT]B:507 |
2 |
1 |
182 |
cf |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.166 |
77 |
|
[ACT]A:504 |
3 |
1 |
182 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.166 |
Average: |
29.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.166 |
52 |
78 |
|
[ACT]A:513 |
3 |
1 |
181 |
f |
[ACT]A:502 |
x,y,z |
1_555 |
3 |
1 |
181 |
27.9 |
0.6 |
0.875 |
0 |
0 |
0 |
0.000 |
53 |
79 |
|
[ZN]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15510 |
27.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.034 |
54 |
80 |
|
[CAC]B:552 |
3 |
1 |
232 |
cf |
[ZN]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.071 |
81 |
|
[CAC]B:553 |
4 |
1 |
230 |
f |
[ZN]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.071 |
82 |
|
[CAC]B:551 |
3 |
1 |
231 |
cf |
[ZN]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
24.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.071 |
55 |
83 |
|
[CAC]B:552 |
3 |
1 |
232 |
cf |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
26.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.074 |
84 |
|
[CAC]B:553 |
4 |
1 |
230 |
cf |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
25.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.074 |
85 |
|
[CAC]B:551 |
4 |
1 |
231 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
20.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
24.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.074 |
56 |
86 |
|
[CAC]B:552 |
2 |
1 |
232 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
15510 |
26.4 |
0.7 |
0.419 |
0 |
0 |
0 |
0.000 |
57 |
87 |
|
[ZN]B:406 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
15510 |
26.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.029 |
58 |
88 |
|
[ACT]D:512 |
3 |
1 |
182 |
f |
[ZN]D:409 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.073 |
89 |
|
[ACT]D:509 |
3 |
1 |
182 |
f |
[ZN]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.073 |
90 |
|
[ACT]D:508 |
3 |
1 |
183 |
f |
[ZN]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
24.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.073 |
59 |
91 |
|
[ACT]D:509 |
3 |
1 |
182 |
f |
[ACT]D:508 |
x,y,z |
1_555 |
3 |
1 |
183 |
24.3 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
60 |
92 |
|
[ZN]B:405 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
15706 |
24.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
93 |
|
[CAC]B:552 |
2 |
1 |
232 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
3 |
15706 |
24.1 |
0.7 |
0.414 |
0 |
0 |
0 |
0.000 |
62 |
94 |
|
[CAC]B:553 |
2 |
1 |
230 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
15706 |
23.3 |
0.6 |
0.416 |
0 |
0 |
0 |
0.000 |
63 |
95 |
|
[ACT]C:505 |
3 |
1 |
184 |
f |
[ZN]C:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.080 |
96 |
|
[ACT]D:511 |
2 |
1 |
182 |
f |
[ZN]D:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.080 |
97 |
|
[ACT]A:501 |
3 |
1 |
182 |
f |
[ZN]A:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
22.4 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.080 |
64 |
98 |
|
[ACT]B:506 |
3 |
1 |
182 |
f |
[ZN]B:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.027 |
65 |
99 |
|
[ZN]D:411 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15706 |
20.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.025 |
66 |
100 |
|
[NAD]B:2377 |
3 |
1 |
858 |
f |
[ZN]B:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.053 |
101 |
|
[NAD]A:1377 |
3 |
1 |
858 |
f |
[ZN]A:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.053 |
102 |
|
[NAD]C:3377 |
3 |
1 |
863 |
f |
[ZN]C:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.053 |
103 |
|
[NAD]D:4377 |
3 |
1 |
855 |
f |
[ZN]D:376 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
17.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.053 |
67 |
104 |
|
[ZN]B:406 |
1 |
1 |
98 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
8.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.021 |
68 |
105 |
|
[CAC]B:551 |
2 |
1 |
231 |
◊ |
[ZN]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.007 |
69 |
106 |
|
[ACT]B:506 |
1 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15763 |
5.0 |
-0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
70 |
107 |
|
[ACT]A:501 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15510 |
4.6 |
-0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
71 |
108 |
|
[ACT]C:505 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15706 |
3.2 |
-0.0 |
0.430 |
0 |
0 |
0 |
0.000 |
72 |
109 |
|
[ACT]D:511 |
1 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15749 |
2.5 |
-0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
73 |
110 |
|
[CAC]B:555 |
1 |
1 |
230 |
f |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
15706 |
1.3 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
74 |
111 |
|
B |
1 |
1 |
15510 |
f |
[ZN]D:411 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|