| ## |
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 |
|
C |
78 |
27 |
11421 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
80 |
25 |
11393 |
667.4 |
-8.2 |
0.139 |
1 |
0 |
0 |
0.000 |
2 |
|
F |
75 |
24 |
11554 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
74 |
24 |
11611 |
627.0 |
-6.7 |
0.197 |
1 |
0 |
0 |
0.000 |
3 |
|
B |
63 |
22 |
11626 |
◊ |
A |
x,y,z |
1_555 |
67 |
22 |
11524 |
578.2 |
-9.2 |
0.058 |
0 |
0 |
0 |
0.000 |
| Average: |
624.2 |
-8.0 |
0.131 |
1 |
0 |
0 |
0.000 |
| 2 |
4 |
|
F |
64 |
18 |
11554 |
◊ |
E |
-x+1,-y,z |
2_655 |
62 |
20 |
11393 |
580.1 |
-8.1 |
0.093 |
7 |
6 |
0 |
0.000 |
| 3 |
5 |
|
D |
57 |
16 |
11611 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
60 |
15 |
11626 |
514.3 |
-0.8 |
0.606 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
50 |
13 |
11524 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
52 |
14 |
11421 |
453.9 |
-2.4 |
0.438 |
2 |
0 |
0 |
0.000 |
| Average: |
484.1 |
-1.6 |
0.522 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
54 |
18 |
11626 |
◊ |
A |
-x+1,-y,z |
2_655 |
57 |
17 |
11524 |
510.9 |
-5.7 |
0.171 |
5 |
0 |
0 |
0.000 |
| 5 |
8 |
|
D |
50 |
16 |
11611 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
44 |
12 |
11393 |
377.4 |
-0.9 |
0.585 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
A |
35 |
12 |
11524 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
9 |
11611 |
267.2 |
-3.0 |
0.301 |
2 |
1 |
0 |
0.000 |
10 |
|
C |
27 |
7 |
11421 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
12 |
11626 |
257.9 |
-2.9 |
0.277 |
1 |
1 |
0 |
0.000 |
| Average: |
262.5 |
-3.0 |
0.289 |
2 |
1 |
0 |
0.000 |
| 7 |
11 |
|
C |
22 |
8 |
11421 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
11626 |
184.0 |
1.9 |
0.820 |
6 |
3 |
0 |
0.000 |
12 |
|
D |
13 |
7 |
11611 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
11524 |
125.3 |
0.4 |
0.551 |
1 |
3 |
0 |
0.000 |
| Average: |
154.6 |
1.1 |
0.685 |
4 |
3 |
0 |
0.000 |
| 8 |
13 |
|
F |
17 |
6 |
11554 |
◊ |
C |
x,y,z-1 |
1_554 |
24 |
9 |
11421 |
181.2 |
0.5 |
0.699 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
23 |
7 |
11611 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
11626 |
179.7 |
-1.2 |
0.419 |
1 |
3 |
0 |
0.000 |
15 |
|
C |
24 |
8 |
11421 |
◊ |
A |
x,y,z |
1_555 |
21 |
4 |
11524 |
176.7 |
-1.0 |
0.463 |
1 |
3 |
0 |
0.000 |
| Average: |
178.2 |
-1.1 |
0.441 |
1 |
3 |
0 |
0.000 |
| 10 |
16 |
|
[MPD]C:404 |
6 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
30 |
10 |
11421 |
171.1 |
-11.4 |
0.479 |
2 |
0 |
0 |
0.034 |
| 11 |
17 |
|
[MPD]A:403 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
11524 |
161.2 |
-10.4 |
0.719 |
5 |
0 |
0 |
0.042 |
| 12 |
18 |
|
A |
19 |
6 |
11524 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
6 |
11626 |
155.0 |
1.8 |
0.835 |
5 |
8 |
0 |
0.000 |
| 13 |
19 |
|
[TRS]A:405 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
11524 |
151.8 |
4.6 |
0.489 |
6 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[MPD]B:403 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
27 |
7 |
11626 |
148.9 |
-8.5 |
0.792 |
2 |
0 |
0 |
0.036 |
| 15 |
21 |
|
[TRS]B:404 |
7 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
11626 |
147.1 |
3.1 |
0.239 |
7 |
0 |
0 |
0.000 |
| 16 |
22 |
|
D |
19 |
6 |
11611 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
19 |
6 |
11611 |
145.8 |
0.1 |
0.641 |
5 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[MPD]D:403 |
7 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
24 |
6 |
11611 |
128.5 |
-8.1 |
0.669 |
0 |
0 |
0 |
0.030 |
| 18 |
24 |
|
[MPD]C:403 |
7 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
22 |
6 |
11421 |
128.5 |
-8.3 |
0.642 |
2 |
0 |
0 |
0.025 |
| 19 |
25 |
|
[EDO]B:405 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
11626 |
123.8 |
2.9 |
0.387 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[TRS]A:406 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
11524 |
121.6 |
3.0 |
0.129 |
5 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[EDO]A:410 |
4 |
1 |
180 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
11524 |
121.4 |
2.8 |
0.419 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[EDO]E:403 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
11393 |
117.9 |
2.5 |
0.362 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[EDO]A:409 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
11524 |
112.5 |
3.4 |
0.460 |
1 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[EDO]D:406 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
11611 |
111.6 |
2.4 |
0.382 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[EDO]F:403 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
20 |
10 |
11554 |
110.6 |
3.0 |
0.417 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[EDO]F:405 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
11554 |
105.7 |
3.5 |
0.500 |
2 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[EDO]A:414 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
11524 |
104.9 |
2.4 |
0.266 |
1 |
0 |
0 |
0.000 |
| 28 |
34 |
|
A |
16 |
5 |
11524 |
◊ |
[MPD]D:403 |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
1 |
275 |
101.5 |
-6.7 |
0.539 |
1 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[EDO]C:410 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
11421 |
99.6 |
2.7 |
0.472 |
1 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[MPD]C:403 |
7 |
1 |
278 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
5 |
11626 |
99.2 |
-6.8 |
0.520 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[EDO]F:404 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
11554 |
97.2 |
3.2 |
0.535 |
1 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11626 |
93.7 |
2.3 |
0.275 |
4 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[EDO]C:406 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
11421 |
93.3 |
3.0 |
0.309 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[EDO]B:410 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
11626 |
93.2 |
2.9 |
0.302 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[EDO]B:408 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
11626 |
92.7 |
2.7 |
0.444 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[EDO]A:412 |
4 |
1 |
182 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
13 |
7 |
11421 |
90.6 |
2.8 |
0.313 |
1 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[EDO]C:407 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11421 |
89.9 |
1.5 |
0.196 |
1 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[EDO]C:411 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
11421 |
88.4 |
2.5 |
0.442 |
4 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[EDO]A:413 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11524 |
85.7 |
2.5 |
0.270 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[EDO]A:408 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
11524 |
85.7 |
2.4 |
0.276 |
2 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[EDO]B:407 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
11626 |
84.4 |
2.4 |
0.496 |
1 |
0 |
0 |
0.000 |
| 42 |
48 |
|
[EDO]F:407 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
11554 |
82.8 |
1.6 |
0.208 |
1 |
0 |
0 |
0.000 |
| 43 |
49 |
|
[EDO]C:405 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
11421 |
82.4 |
2.3 |
0.271 |
0 |
0 |
0 |
0.000 |
| 44 |
50 |
|
[EDO]D:404 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
11611 |
78.2 |
2.7 |
0.315 |
3 |
0 |
0 |
0.000 |
| 45 |
51 |
|
[EDO]B:406 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
11626 |
76.5 |
2.7 |
0.310 |
2 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[TRS]A:407 |
6 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11524 |
75.9 |
1.1 |
0.721 |
3 |
0 |
0 |
0.000 |
| 47 |
53 |
|
[EDO]A:411 |
4 |
1 |
183 |
f |
B |
-x+1,-y,z |
2_655 |
12 |
4 |
11626 |
73.6 |
2.1 |
0.835 |
3 |
0 |
0 |
0.000 |
| 48 |
54 |
|
[EDO]A:411 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11524 |
72.7 |
2.3 |
0.273 |
0 |
0 |
0 |
0.000 |
| 49 |
55 |
|
[EDO]D:405 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
11611 |
72.5 |
2.0 |
0.898 |
2 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[TRS]A:404 |
5 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11626 |
72.4 |
0.8 |
0.702 |
2 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[CL]D:401 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
11611 |
72.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.064 |
58 |
|
[CL]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
11421 |
72.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.064 |
59 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
11626 |
72.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.064 |
60 |
|
[CL]E:401 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
11393 |
71.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.064 |
61 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11524 |
71.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.064 |
62 |
|
[CL]F:401 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
11554 |
71.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
71.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.064 |
| 52 |
63 |
|
F |
7 |
3 |
11554 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
4 |
11421 |
71.4 |
0.9 |
0.712 |
1 |
3 |
0 |
0.000 |
| 53 |
64 |
|
F |
12 |
5 |
11554 |
◊ |
[EDO]D:405 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
183 |
69.9 |
1.4 |
0.192 |
0 |
0 |
0 |
0.000 |
| 54 |
65 |
|
F |
14 |
7 |
11554 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
11393 |
69.3 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
| 55 |
66 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
11626 |
68.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.065 |
67 |
|
[CL]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
11421 |
67.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.065 |
68 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
8 |
11611 |
67.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.065 |
69 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
11524 |
67.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.065 |
70 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
8 |
11393 |
67.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.065 |
71 |
|
[CL]F:402 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
8 |
11554 |
67.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
67.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.065 |
| 56 |
72 |
|
[EDO]B:411 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11626 |
67.9 |
1.5 |
0.688 |
1 |
0 |
0 |
0.000 |
| 57 |
73 |
|
[EDO]C:408 |
4 |
1 |
184 |
f |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
3 |
11626 |
66.6 |
1.3 |
0.797 |
2 |
0 |
0 |
0.000 |
| 58 |
74 |
|
[EDO]B:406 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11524 |
66.1 |
1.3 |
0.204 |
1 |
0 |
0 |
0.000 |
| 59 |
75 |
|
[EDO]F:406 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
11 |
6 |
11554 |
66.1 |
2.3 |
0.305 |
0 |
0 |
0 |
0.000 |
| 60 |
76 |
|
F |
13 |
5 |
11554 |
◊ |
[EDO]D:404 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
182 |
64.4 |
1.6 |
0.248 |
1 |
0 |
0 |
0.000 |
| 61 |
77 |
|
F |
6 |
4 |
11554 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
5 |
11524 |
51.4 |
1.4 |
0.803 |
2 |
3 |
0 |
0.000 |
78 |
|
E |
3 |
2 |
11393 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11626 |
41.8 |
1.1 |
0.717 |
0 |
3 |
0 |
0.000 |
| Average: |
46.6 |
1.3 |
0.760 |
1 |
3 |
0 |
0.000 |
| 62 |
79 |
|
[EDO]C:409 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
11421 |
46.3 |
0.5 |
0.724 |
1 |
0 |
0 |
0.000 |
| 63 |
80 |
|
[TRS]A:404 |
3 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11524 |
44.7 |
1.2 |
0.952 |
2 |
0 |
0 |
0.000 |
| 64 |
81 |
|
[EDO]A:414 |
3 |
1 |
183 |
f |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
11421 |
44.3 |
1.0 |
0.627 |
0 |
0 |
0 |
0.000 |
| 65 |
82 |
|
[TRS]A:407 |
4 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11626 |
44.2 |
1.5 |
0.952 |
1 |
0 |
0 |
0.000 |
| 66 |
83 |
|
[EDO]A:412 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11524 |
43.6 |
1.1 |
0.725 |
0 |
0 |
0 |
0.000 |
| 67 |
84 |
|
[TRS]A:406 |
4 |
1 |
256 |
f |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
11626 |
41.3 |
1.0 |
0.898 |
1 |
0 |
0 |
0.000 |
| 68 |
85 |
|
[EDO]C:408 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
11421 |
39.5 |
1.6 |
0.924 |
0 |
0 |
0 |
0.000 |
| 69 |
86 |
|
[EDO]A:408 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
11421 |
36.0 |
0.9 |
0.641 |
0 |
0 |
0 |
0.000 |
| 70 |
87 |
|
[EDO]B:411 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11524 |
35.7 |
0.4 |
0.701 |
0 |
0 |
0 |
0.000 |
| 71 |
88 |
|
[EDO]F:406 |
2 |
1 |
184 |
f |
E |
-x+1,-y,z |
2_655 |
5 |
2 |
11393 |
34.0 |
0.9 |
0.851 |
1 |
0 |
0 |
0.000 |
| 72 |
89 |
|
B |
4 |
1 |
11626 |
◊ |
B |
-x+1,-y,z |
2_655 |
4 |
1 |
11626 |
32.2 |
0.5 |
0.770 |
0 |
0 |
0 |
0.000 |
| 73 |
90 |
|
[EDO]C:409 |
3 |
1 |
182 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
11393 |
30.2 |
0.9 |
0.915 |
1 |
0 |
0 |
0.000 |
| 74 |
91 |
|
D |
4 |
1 |
11611 |
f |
[EDO]B:408 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
183 |
27.1 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| 75 |
92 |
|
E |
6 |
3 |
11393 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11611 |
21.7 |
-0.2 |
0.507 |
0 |
0 |
0 |
0.000 |
| 76 |
93 |
|
[EDO]F:404 |
2 |
1 |
183 |
f |
A |
x,y,z-1 |
1_554 |
2 |
1 |
11524 |
21.5 |
0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
| 77 |
94 |
|
A |
5 |
2 |
11524 |
◊ |
[EDO]B:409 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
185 |
20.8 |
0.9 |
0.887 |
0 |
0 |
0 |
0.000 |
| 78 |
95 |
|
[EDO]A:408 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
11626 |
17.2 |
0.3 |
0.785 |
0 |
0 |
0 |
0.000 |
| 79 |
96 |
|
[EDO]B:411 |
2 |
1 |
183 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
11626 |
14.1 |
0.5 |
0.938 |
0 |
0 |
0 |
0.000 |
| 80 |
97 |
|
[EDO]A:410 |
1 |
1 |
180 |
f |
B |
-x+1,-y,z |
2_655 |
4 |
2 |
11626 |
12.5 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| 81 |
98 |
|
[EDO]B:410 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
11421 |
11.6 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
| 82 |
99 |
|
[EDO]D:405 |
1 |
1 |
183 |
f |
[EDO]D:404 |
x,y,z |
1_555 |
1 |
1 |
182 |
8.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 83 |
100 |
|
[EDO]A:413 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11626 |
4.9 |
0.2 |
0.908 |
0 |
0 |
0 |
0.000 |
| 84 |
101 |
|
[MPD]B:403 |
2 |
1 |
276 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11393 |
4.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 85 |
102 |
|
[EDO]F:407 |
1 |
1 |
183 |
f |
[EDO]F:406 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 86 |
103 |
|
[EDO]C:407 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
11611 |
2.9 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
| 87 |
104 |
|
D |
1 |
1 |
11611 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11421 |
2.3 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
|