| ## |
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 |
67 |
16 |
2890 |
◊ |
F |
x,y,z |
1_555 |
70 |
19 |
3214 |
671.1 |
-9.9 |
0.720 |
6 |
0 |
0 |
1.000 |
2 |
|
L |
67 |
16 |
2881 |
◊ |
J |
x,y,z |
1_555 |
63 |
16 |
3006 |
610.6 |
-11.1 |
0.692 |
8 |
0 |
0 |
1.000 |
3 |
|
D |
54 |
13 |
2922 |
◊ |
B |
x,y,z |
1_555 |
59 |
15 |
2770 |
551.9 |
-8.4 |
0.739 |
6 |
0 |
0 |
1.000 |
| Average: |
611.2 |
-9.8 |
0.717 |
7 |
0 |
0 |
1.000 |
| 2 |
4 |
|
F |
56 |
16 |
3214 |
◊ |
E |
x,y,z |
1_555 |
58 |
13 |
2100 |
574.0 |
-12.6 |
0.351 |
7 |
0 |
2 |
1.000 |
| 3 |
5 |
|
B |
54 |
14 |
2770 |
◊ |
A |
x,y,z |
1_555 |
49 |
12 |
2030 |
542.2 |
-12.0 |
0.310 |
5 |
1 |
2 |
1.000 |
6 |
|
J |
51 |
15 |
3006 |
◊ |
I |
x,y,z |
1_555 |
49 |
13 |
2136 |
537.9 |
-12.3 |
0.239 |
7 |
1 |
2 |
1.000 |
7 |
|
D |
52 |
14 |
2922 |
◊ |
C |
x,y,z |
1_555 |
47 |
12 |
2080 |
520.4 |
-11.7 |
0.282 |
5 |
0 |
2 |
1.000 |
8 |
|
H |
43 |
13 |
2890 |
◊ |
G |
x,y,z |
1_555 |
42 |
11 |
2097 |
463.4 |
-10.8 |
0.231 |
7 |
0 |
2 |
1.000 |
| Average: |
515.9 |
-11.7 |
0.266 |
6 |
1 |
2 |
1.000 |
| 4 |
9 |
|
L |
53 |
15 |
2881 |
◊ |
K |
x,y,z |
1_555 |
47 |
12 |
2097 |
516.8 |
-11.7 |
0.286 |
6 |
2 |
2 |
0.958 |
| 5 |
10 |
|
B |
25 |
5 |
2770 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
25 |
7 |
2080 |
231.9 |
-1.9 |
0.767 |
4 |
0 |
0 |
0.002 |
| 6 |
11 |
|
E |
29 |
8 |
2100 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
24 |
5 |
2890 |
229.1 |
-2.0 |
0.741 |
3 |
0 |
0 |
0.002 |
| 7 |
12 |
|
I |
22 |
6 |
2136 |
◊ |
G |
x,y,z-1 |
1_554 |
20 |
5 |
2097 |
187.6 |
-0.4 |
0.822 |
2 |
2 |
0 |
0.000 |
| 8 |
13 |
|
F |
19 |
3 |
3214 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
2030 |
142.6 |
-2.6 |
0.593 |
0 |
0 |
0 |
0.061 |
14 |
|
H |
18 |
4 |
2890 |
◊ |
K |
x,y,z |
1_555 |
17 |
6 |
2097 |
139.4 |
-2.1 |
0.634 |
1 |
0 |
0 |
0.061 |
15 |
|
B |
18 |
4 |
2770 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
2136 |
136.8 |
-2.3 |
0.583 |
1 |
0 |
0 |
0.061 |
16 |
|
D |
18 |
4 |
2922 |
◊ |
G |
x,y,z |
1_555 |
19 |
6 |
2097 |
135.2 |
-2.7 |
0.585 |
0 |
0 |
0 |
0.061 |
17 |
|
L |
15 |
3 |
2881 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
2080 |
123.3 |
-3.1 |
0.448 |
0 |
0 |
0 |
0.061 |
| Average: |
135.4 |
-2.6 |
0.569 |
0 |
0 |
0 |
0.061 |
| 9 |
18 |
|
J |
11 |
5 |
3006 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
2922 |
131.3 |
-2.9 |
0.343 |
0 |
0 |
0 |
0.047 |
19 |
|
L |
15 |
4 |
2881 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
3214 |
118.0 |
-2.3 |
0.511 |
0 |
0 |
0 |
0.047 |
20 |
|
H |
8 |
4 |
2890 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
2770 |
96.7 |
-2.1 |
0.424 |
0 |
0 |
0 |
0.047 |
| Average: |
115.3 |
-2.4 |
0.426 |
0 |
0 |
0 |
0.047 |
| 10 |
21 |
|
J |
13 |
6 |
3006 |
◊ |
F |
x,y,z |
1_555 |
16 |
4 |
3214 |
123.0 |
-2.7 |
0.440 |
0 |
0 |
0 |
0.096 |
22 |
|
L |
14 |
6 |
2881 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
2922 |
121.9 |
-2.5 |
0.469 |
0 |
0 |
0 |
0.096 |
23 |
|
J |
16 |
5 |
3006 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
2770 |
112.3 |
-2.0 |
0.561 |
0 |
0 |
0 |
0.096 |
24 |
|
F |
13 |
5 |
3214 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
2770 |
109.1 |
-2.5 |
0.450 |
0 |
0 |
0 |
0.096 |
25 |
|
H |
13 |
4 |
2890 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
2922 |
103.2 |
-3.0 |
0.322 |
0 |
0 |
0 |
0.096 |
26 |
|
L |
14 |
4 |
2881 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
2890 |
100.7 |
-2.3 |
0.405 |
0 |
0 |
0 |
0.096 |
| Average: |
111.7 |
-2.5 |
0.441 |
0 |
0 |
0 |
0.096 |
| 11 |
27 |
|
J |
13 |
3 |
3006 |
◊ |
G |
x,y,z-1 |
1_554 |
14 |
4 |
2097 |
122.1 |
-1.5 |
0.613 |
2 |
0 |
0 |
0.000 |
| 12 |
28 |
|
F |
14 |
4 |
3214 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
16 |
3 |
2080 |
115.1 |
-1.9 |
0.629 |
0 |
0 |
0 |
0.001 |
| 13 |
29 |
|
J |
15 |
4 |
3006 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
12 |
3 |
2080 |
110.6 |
0.1 |
0.863 |
1 |
0 |
0 |
0.000 |
| 14 |
30 |
|
J |
16 |
4 |
3006 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
2100 |
109.8 |
-2.5 |
0.580 |
0 |
0 |
0 |
0.018 |
| 15 |
31 |
|
J |
12 |
3 |
3006 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
10 |
2 |
2922 |
106.3 |
-0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
| 16 |
32 |
|
F |
11 |
2 |
3214 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
14 |
4 |
2881 |
101.9 |
1.1 |
0.902 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
E |
10 |
4 |
2100 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
11 |
4 |
2881 |
99.1 |
0.7 |
0.895 |
5 |
0 |
0 |
0.001 |
| 18 |
34 |
|
F |
11 |
2 |
3214 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
10 |
4 |
2097 |
95.1 |
-2.4 |
0.441 |
0 |
0 |
0 |
0.000 |
| 19 |
35 |
|
E |
12 |
4 |
2100 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
8 |
3 |
2097 |
91.3 |
-0.4 |
0.727 |
1 |
0 |
0 |
0.000 |
| 20 |
36 |
|
B |
8 |
2 |
2770 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
2097 |
81.2 |
-2.2 |
0.250 |
0 |
0 |
0 |
0.030 |
37 |
|
L |
9 |
3 |
2881 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
2100 |
72.9 |
-2.0 |
0.329 |
0 |
0 |
0 |
0.030 |
38 |
|
D |
8 |
2 |
2922 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
2136 |
72.8 |
-2.0 |
0.293 |
0 |
0 |
0 |
0.030 |
39 |
|
H |
9 |
2 |
2890 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2030 |
63.2 |
-1.8 |
0.297 |
0 |
0 |
0 |
0.030 |
40 |
|
F |
8 |
2 |
3214 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
2097 |
61.2 |
-1.6 |
0.407 |
0 |
0 |
0 |
0.030 |
| Average: |
70.3 |
-1.9 |
0.315 |
0 |
0 |
0 |
0.030 |
| 21 |
41 |
|
[GOL]L:1030 |
5 |
1 |
222 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
2881 |
79.6 |
-0.2 |
0.614 |
1 |
0 |
0 |
0.154 |
| 22 |
42 |
|
E |
8 |
1 |
2100 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
7 |
3 |
2097 |
75.7 |
-1.8 |
0.401 |
0 |
0 |
0 |
0.001 |
| 23 |
43 |
|
A |
8 |
3 |
2030 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
8 |
1 |
2080 |
74.9 |
-1.8 |
0.413 |
0 |
0 |
0 |
0.000 |
| 24 |
44 |
|
[IPH]E:1022 |
6 |
1 |
230 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
2100 |
74.4 |
1.4 |
0.037 |
2 |
0 |
0 |
0.000 |
| 25 |
45 |
|
J |
8 |
2 |
3006 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
2080 |
74.3 |
-1.9 |
0.285 |
0 |
0 |
0 |
0.006 |
| 26 |
46 |
|
[IPH]C:1022 |
7 |
1 |
232 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
2080 |
73.1 |
1.6 |
0.009 |
2 |
0 |
0 |
0.000 |
47 |
|
[IPH]A:1022 |
7 |
1 |
233 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
2030 |
69.4 |
1.6 |
0.007 |
2 |
0 |
0 |
0.000 |
48 |
|
[IPH]I:1022 |
6 |
1 |
233 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
2136 |
69.0 |
1.6 |
0.025 |
2 |
0 |
0 |
0.000 |
49 |
|
[IPH]G:1022 |
7 |
1 |
233 |
◊ |
G |
x,y,z |
1_555 |
12 |
5 |
2097 |
68.9 |
1.8 |
0.007 |
2 |
0 |
0 |
0.000 |
50 |
|
[IPH]K:1022 |
6 |
1 |
232 |
◊ |
K |
x,y,z |
1_555 |
12 |
5 |
2097 |
68.9 |
1.6 |
0.027 |
2 |
0 |
0 |
0.000 |
| Average: |
69.9 |
1.7 |
0.015 |
2 |
0 |
0 |
0.000 |
| 27 |
51 |
|
I |
6 |
3 |
2136 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
2080 |
70.4 |
-0.3 |
0.625 |
1 |
0 |
0 |
0.000 |
| 28 |
52 |
|
[IPH]E:1022 |
7 |
1 |
230 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
3214 |
69.7 |
1.3 |
0.014 |
0 |
0 |
0 |
0.000 |
| 29 |
53 |
|
[IPH]C:1022 |
7 |
1 |
232 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
2922 |
67.6 |
1.2 |
0.010 |
0 |
0 |
0 |
0.000 |
54 |
|
[IPH]K:1022 |
7 |
1 |
232 |
◊ |
L |
x,y,z |
1_555 |
11 |
4 |
2881 |
66.3 |
1.3 |
0.010 |
0 |
0 |
0 |
0.000 |
55 |
|
[IPH]G:1022 |
7 |
1 |
233 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
2890 |
65.9 |
1.3 |
0.008 |
0 |
0 |
0 |
0.000 |
56 |
|
[IPH]A:1022 |
7 |
1 |
233 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
2770 |
65.3 |
1.3 |
0.010 |
0 |
0 |
0 |
0.000 |
57 |
|
[IPH]I:1022 |
7 |
1 |
233 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
3006 |
64.8 |
1.1 |
0.006 |
0 |
0 |
0 |
0.000 |
| Average: |
66.0 |
1.2 |
0.009 |
0 |
0 |
0 |
0.000 |
| 30 |
58 |
|
[GOL]L:1030 |
5 |
1 |
222 |
◊ |
K |
x,y,z |
1_555 |
9 |
3 |
2097 |
67.2 |
-0.1 |
0.611 |
1 |
0 |
0 |
0.025 |
| 31 |
59 |
|
F |
6 |
3 |
3214 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
9 |
2 |
2922 |
63.9 |
-0.6 |
0.608 |
0 |
0 |
0 |
0.000 |
| 32 |
60 |
|
[IPH]I:1022 |
7 |
1 |
233 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
2770 |
62.9 |
0.7 |
0.001 |
0 |
0 |
0 |
0.000 |
61 |
|
[IPH]K:1022 |
7 |
1 |
232 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
2890 |
60.5 |
0.8 |
0.467 |
0 |
0 |
0 |
0.000 |
62 |
|
[IPH]A:1022 |
7 |
1 |
233 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
3214 |
60.4 |
0.9 |
0.603 |
0 |
0 |
0 |
0.000 |
63 |
|
[IPH]G:1022 |
7 |
1 |
233 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
2922 |
58.4 |
0.8 |
0.515 |
0 |
0 |
0 |
0.000 |
| Average: |
60.6 |
0.8 |
0.396 |
0 |
0 |
0 |
0.000 |
| 33 |
64 |
|
H |
6 |
4 |
2890 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
2100 |
58.4 |
-0.4 |
0.654 |
0 |
0 |
0 |
0.007 |
| 34 |
65 |
|
[IPH]C:1022 |
7 |
1 |
232 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
2881 |
55.0 |
0.5 |
0.594 |
0 |
0 |
0 |
0.000 |
66 |
|
[IPH]E:1022 |
7 |
1 |
230 |
◊ |
J |
x,y,z |
1_555 |
6 |
3 |
3006 |
50.7 |
0.4 |
0.530 |
0 |
0 |
0 |
0.000 |
| Average: |
52.9 |
0.5 |
0.562 |
0 |
0 |
0 |
0.000 |
| 35 |
67 |
|
F |
5 |
2 |
3214 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
6 |
3 |
2080 |
54.7 |
0.1 |
0.770 |
2 |
0 |
0 |
0.000 |
| 36 |
68 |
|
L |
6 |
4 |
2881 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
2136 |
49.5 |
0.0 |
0.697 |
0 |
0 |
0 |
0.006 |
69 |
|
J |
6 |
3 |
3006 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
2097 |
43.1 |
0.5 |
0.845 |
2 |
0 |
0 |
0.006 |
70 |
|
F |
5 |
3 |
3214 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
2097 |
41.9 |
0.3 |
0.765 |
1 |
0 |
0 |
0.006 |
71 |
|
D |
4 |
3 |
2922 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2030 |
21.1 |
0.1 |
0.732 |
0 |
0 |
0 |
0.006 |
72 |
|
B |
2 |
1 |
2770 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2080 |
11.5 |
-0.2 |
0.573 |
0 |
0 |
0 |
0.006 |
| Average: |
33.4 |
0.1 |
0.722 |
1 |
0 |
0 |
0.006 |
| 37 |
73 |
|
L |
4 |
1 |
2881 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
3 |
2097 |
48.6 |
-0.3 |
0.521 |
0 |
0 |
0 |
0.000 |
| 38 |
74 |
|
G |
3 |
1 |
2097 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2030 |
37.0 |
-1.2 |
0.271 |
0 |
0 |
0 |
0.006 |
75 |
|
K |
2 |
1 |
2097 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
2100 |
23.6 |
-0.8 |
0.270 |
0 |
0 |
0 |
0.006 |
| Average: |
30.3 |
-1.0 |
0.270 |
0 |
0 |
0 |
0.006 |
| 39 |
76 |
|
[CL]L:1028 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
2922 |
35.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.157 |
77 |
|
[CL]L:1028 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
2881 |
35.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.157 |
78 |
|
[CL]J:1029 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
2770 |
34.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.157 |
79 |
|
[CL]J:1029 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
3214 |
34.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.157 |
80 |
|
[CL]L:1028 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
2890 |
34.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.157 |
81 |
|
[CL]J:1029 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
3006 |
32.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.157 |
| Average: |
34.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.157 |
| 40 |
82 |
|
I |
3 |
2 |
2136 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2080 |
29.7 |
-1.0 |
0.273 |
0 |
0 |
0 |
0.003 |
| 41 |
83 |
|
[ZN]L:1029 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
2922 |
26.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.412 |
84 |
|
[ZN]L:1029 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
2881 |
26.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.412 |
85 |
|
[ZN]L:1029 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
2890 |
26.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.412 |
86 |
|
[ZN]J:1030 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
3214 |
26.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.412 |
87 |
|
[ZN]J:1030 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
2770 |
26.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.412 |
88 |
|
[ZN]J:1030 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
3006 |
24.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.412 |
| Average: |
26.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.412 |
| 42 |
89 |
|
E |
3 |
2 |
2100 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
2922 |
24.9 |
0.4 |
0.810 |
1 |
0 |
0 |
0.000 |
| 43 |
90 |
|
[IPH]A:1022 |
2 |
1 |
233 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
2890 |
22.4 |
0.2 |
0.141 |
0 |
0 |
0 |
0.000 |
91 |
|
[IPH]C:1022 |
3 |
1 |
232 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
3006 |
20.3 |
0.2 |
0.430 |
0 |
0 |
0 |
0.000 |
92 |
|
[IPH]G:1022 |
3 |
1 |
233 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
2770 |
19.5 |
0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
93 |
|
[IPH]I:1022 |
3 |
1 |
233 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
2922 |
19.0 |
0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
94 |
|
[IPH]K:1022 |
2 |
1 |
232 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
3214 |
16.5 |
0.2 |
0.640 |
0 |
0 |
0 |
0.000 |
| Average: |
19.5 |
0.2 |
0.419 |
0 |
0 |
0 |
0.000 |
| 44 |
95 |
|
E |
6 |
2 |
2100 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
3 |
2922 |
22.2 |
-0.3 |
0.638 |
0 |
0 |
0 |
0.000 |
| 45 |
96 |
|
[ZN]J:1030 |
1 |
1 |
98 |
f |
[CL]J:1029 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| 46 |
97 |
|
K |
5 |
1 |
2097 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
2922 |
18.8 |
-0.6 |
0.533 |
0 |
0 |
0 |
0.000 |
| 47 |
98 |
|
[ZN]L:1029 |
1 |
1 |
98 |
f |
[CL]L:1028 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 48 |
99 |
|
[IPH]E:1022 |
2 |
1 |
230 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
2881 |
17.8 |
0.2 |
0.063 |
0 |
0 |
0 |
0.000 |
| 49 |
100 |
|
F |
2 |
1 |
3214 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
2922 |
16.1 |
0.5 |
0.877 |
0 |
0 |
0 |
0.000 |
| 50 |
101 |
|
F |
2 |
1 |
3214 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
2136 |
14.8 |
-0.5 |
0.473 |
0 |
0 |
0 |
0.000 |
| 51 |
102 |
|
H |
1 |
1 |
2890 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
2 |
1 |
2097 |
7.4 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 52 |
103 |
|
J |
1 |
1 |
3006 |
◊ |
H |
x,y,z-1 |
1_554 |
1 |
1 |
2890 |
1.6 |
0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
| 53 |
104 |
|
H |
2 |
2 |
2890 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
2 |
2 |
2881 |
0.9 |
-0.0 |
0.720 |
0 |
0 |
0 |
0.000 |
|