| ## |
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 |
278 |
71 |
19689 |
◊ |
A |
x,y,z |
1_555 |
273 |
70 |
19865 |
2715.4 |
-33.4 |
0.021 |
35 |
13 |
0 |
0.402 |
2 |
|
D |
275 |
72 |
19874 |
◊ |
C |
x,y,z |
1_555 |
270 |
69 |
19927 |
2648.6 |
-35.5 |
0.015 |
33 |
8 |
0 |
0.402 |
| Average: |
2682.0 |
-34.5 |
0.018 |
34 |
11 |
0 |
0.402 |
| 2 |
3 |
|
[HEM]C:502 |
42 |
1 |
820 |
f |
C |
x,y,z |
1_555 |
83 |
25 |
19927 |
525.8 |
-18.4 |
0.324 |
2 |
0 |
0 |
0.149 |
4 |
|
[HEM]B:501 |
42 |
1 |
828 |
f |
B |
x,y,z |
1_555 |
81 |
23 |
19689 |
521.5 |
-18.3 |
0.314 |
1 |
0 |
0 |
0.149 |
| Average: |
523.6 |
-18.3 |
0.319 |
2 |
0 |
0 |
0.149 |
| 3 |
5 |
|
[HEM]A:501 |
40 |
1 |
813 |
f |
A |
x,y,z |
1_555 |
82 |
25 |
19865 |
512.8 |
-18.5 |
0.307 |
2 |
0 |
0 |
0.153 |
6 |
|
[HEM]D:501 |
41 |
1 |
823 |
f |
D |
x,y,z |
1_555 |
81 |
23 |
19874 |
512.3 |
-18.0 |
0.315 |
1 |
0 |
0 |
0.153 |
| Average: |
512.6 |
-18.3 |
0.311 |
2 |
0 |
0 |
0.153 |
| 4 |
7 |
|
D |
55 |
12 |
19874 |
◊ |
B |
x,y,z-1 |
1_554 |
49 |
14 |
19689 |
480.5 |
2.1 |
0.811 |
7 |
3 |
0 |
0.000 |
| 5 |
8 |
|
D |
52 |
16 |
19874 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
19865 |
433.1 |
-3.7 |
0.315 |
5 |
6 |
0 |
0.000 |
9 |
|
B |
50 |
16 |
19689 |
◊ |
C |
x-1,y,z |
1_455 |
47 |
15 |
19927 |
421.7 |
-2.2 |
0.372 |
4 |
5 |
0 |
0.000 |
| Average: |
427.4 |
-3.0 |
0.343 |
5 |
6 |
0 |
0.000 |
| 6 |
10 |
|
B |
35 |
9 |
19689 |
◊ |
D |
x-1,y,z+1 |
1_456 |
31 |
7 |
19874 |
322.7 |
0.9 |
0.777 |
9 |
3 |
0 |
0.000 |
| 7 |
11 |
|
B |
36 |
11 |
19689 |
◊ |
C |
-x-1,y-1/2,-z-3 |
2_442 |
39 |
11 |
19927 |
322.3 |
0.3 |
0.748 |
2 |
4 |
0 |
0.000 |
| 8 |
12 |
|
[OUG]D:503 |
20 |
1 |
472 |
f |
D |
x,y,z |
1_555 |
37 |
17 |
19874 |
242.5 |
-1.9 |
0.571 |
3 |
0 |
0 |
0.029 |
13 |
|
[OUG]A:503 |
20 |
1 |
475 |
f |
A |
x,y,z |
1_555 |
33 |
15 |
19865 |
233.0 |
-2.3 |
0.491 |
3 |
0 |
0 |
0.029 |
| Average: |
237.8 |
-2.1 |
0.531 |
3 |
0 |
0 |
0.029 |
| 9 |
14 |
|
[OUG]C:504 |
20 |
1 |
472 |
f |
C |
x,y,z |
1_555 |
31 |
15 |
19927 |
239.7 |
-2.7 |
0.435 |
3 |
0 |
0 |
0.032 |
15 |
|
[OUG]B:503 |
20 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
31 |
15 |
19689 |
237.8 |
-2.7 |
0.437 |
3 |
0 |
0 |
0.032 |
| Average: |
238.7 |
-2.7 |
0.436 |
3 |
0 |
0 |
0.032 |
| 10 |
16 |
|
A |
23 |
8 |
19865 |
◊ |
B |
-x-1,y-1/2,-z-3 |
2_442 |
28 |
9 |
19689 |
210.6 |
-0.5 |
0.400 |
1 |
1 |
0 |
0.000 |
| 11 |
17 |
|
[H4B]C:503 |
17 |
1 |
395 |
f |
C |
x,y,z |
1_555 |
30 |
10 |
19927 |
188.2 |
2.8 |
0.546 |
2 |
0 |
0 |
0.000 |
18 |
|
[H4B]A:502 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
31 |
10 |
19865 |
185.6 |
2.6 |
0.516 |
2 |
0 |
0 |
0.000 |
19 |
|
[H4B]B:502 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
19689 |
185.0 |
2.6 |
0.514 |
2 |
0 |
0 |
0.000 |
20 |
|
[H4B]D:502 |
17 |
1 |
395 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
19874 |
183.2 |
2.5 |
0.501 |
2 |
0 |
0 |
0.000 |
| Average: |
185.5 |
2.6 |
0.519 |
2 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[OUG]D:503 |
20 |
1 |
472 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
35 |
1 |
823 |
159.9 |
-5.3 |
0.782 |
1 |
0 |
0 |
0.087 |
22 |
|
[OUG]B:503 |
20 |
1 |
471 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
35 |
1 |
828 |
159.1 |
-5.4 |
0.770 |
1 |
0 |
0 |
0.087 |
23 |
|
[OUG]A:503 |
20 |
1 |
475 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
34 |
1 |
813 |
159.0 |
-5.2 |
0.758 |
0 |
0 |
0 |
0.087 |
24 |
|
[OUG]C:504 |
20 |
1 |
472 |
f |
[HEM]C:502 |
x,y,z |
1_555 |
34 |
1 |
820 |
152.7 |
-4.7 |
0.788 |
1 |
0 |
0 |
0.087 |
| Average: |
157.7 |
-5.2 |
0.775 |
1 |
0 |
0 |
0.087 |
| 13 |
25 |
|
[BTB]A:506 |
13 |
1 |
340 |
◊ |
C |
x,y,z |
1_555 |
24 |
6 |
19927 |
156.0 |
4.2 |
0.271 |
2 |
0 |
0 |
0.000 |
| 14 |
26 |
|
B |
13 |
3 |
19689 |
x |
B |
x-1,y,z |
1_455 |
19 |
8 |
19689 |
136.9 |
0.1 |
0.638 |
3 |
0 |
0 |
0.000 |
27 |
|
D |
13 |
3 |
19874 |
x |
D |
x-1,y,z |
1_455 |
19 |
6 |
19874 |
122.3 |
-0.5 |
0.576 |
0 |
0 |
0 |
0.000 |
| Average: |
129.6 |
-0.2 |
0.607 |
2 |
0 |
0 |
0.000 |
| 15 |
28 |
|
[BTB]D:505 |
10 |
1 |
345 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
19865 |
136.8 |
4.5 |
0.281 |
1 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[BTB]B:505 |
10 |
1 |
344 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
7 |
19927 |
134.5 |
4.0 |
0.214 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[BTB]A:504 |
10 |
1 |
345 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
19865 |
120.8 |
3.5 |
0.279 |
1 |
0 |
0 |
0.000 |
31 |
|
[BTB]C:505 |
10 |
1 |
344 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
19927 |
114.7 |
3.1 |
0.181 |
1 |
0 |
0 |
0.000 |
| Average: |
117.7 |
3.3 |
0.230 |
1 |
0 |
0 |
0.000 |
| 18 |
32 |
|
[H4B]B:502 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
19865 |
118.9 |
-0.2 |
0.258 |
1 |
0 |
0 |
0.010 |
33 |
|
[H4B]D:502 |
13 |
1 |
395 |
◊ |
C |
x,y,z |
1_555 |
24 |
6 |
19927 |
117.5 |
-0.2 |
0.273 |
1 |
0 |
0 |
0.010 |
34 |
|
[H4B]C:503 |
13 |
1 |
395 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
19874 |
117.3 |
-0.1 |
0.272 |
1 |
0 |
0 |
0.010 |
35 |
|
[H4B]A:502 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
19689 |
116.0 |
-0.2 |
0.259 |
1 |
0 |
0 |
0.010 |
| Average: |
117.4 |
-0.2 |
0.266 |
1 |
0 |
0 |
0.010 |
| 19 |
36 |
|
[BTB]A:504 |
9 |
1 |
345 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
19874 |
116.8 |
1.3 |
0.101 |
1 |
0 |
0 |
0.000 |
37 |
|
B |
12 |
5 |
19689 |
f |
[BTB]C:505 |
x-1,y,z |
1_455 |
9 |
1 |
344 |
108.2 |
1.3 |
0.062 |
1 |
0 |
0 |
0.000 |
| Average: |
112.5 |
1.3 |
0.081 |
1 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[ACT]B:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
19689 |
115.6 |
-1.4 |
0.505 |
2 |
0 |
0 |
0.018 |
| 21 |
39 |
|
[BTB]A:505 |
8 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
19865 |
115.5 |
4.2 |
0.379 |
1 |
0 |
0 |
0.000 |
| 22 |
40 |
|
[BTB]D:507 |
7 |
1 |
348 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
19874 |
114.5 |
3.3 |
0.294 |
4 |
0 |
0 |
0.000 |
| 23 |
41 |
|
[BTB]B:507 |
8 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
19689 |
113.7 |
4.0 |
0.429 |
0 |
0 |
0 |
0.000 |
| 24 |
42 |
|
[ACT]C:509 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
19927 |
113.3 |
-1.4 |
0.489 |
2 |
0 |
0 |
0.018 |
| 25 |
43 |
|
[ACT]D:504 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
19874 |
110.5 |
-1.2 |
0.492 |
2 |
0 |
0 |
0.017 |
| 26 |
44 |
|
[ACT]A:509 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19865 |
110.2 |
-1.2 |
0.516 |
2 |
0 |
0 |
0.016 |
| 27 |
45 |
|
[BTB]C:506 |
9 |
1 |
338 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
19927 |
100.7 |
2.8 |
0.168 |
1 |
0 |
0 |
0.000 |
| 28 |
46 |
|
[GD]A:511 |
1 |
1 |
216 |
f |
[BTB]A:504 |
x,y,z |
1_555 |
8 |
1 |
345 |
88.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.077 |
47 |
|
[GD]C:501 |
1 |
1 |
216 |
f |
[BTB]C:505 |
x,y,z |
1_555 |
7 |
1 |
344 |
84.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
48 |
|
[GD]D:509 |
1 |
1 |
216 |
f |
[BTB]D:505 |
x,y,z |
1_555 |
9 |
1 |
345 |
82.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.077 |
49 |
|
[GD]B:508 |
1 |
1 |
216 |
f |
[BTB]B:505 |
x,y,z |
1_555 |
8 |
1 |
344 |
82.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
84.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
| 29 |
50 |
|
[BTB]D:506 |
7 |
1 |
340 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
19874 |
86.4 |
1.6 |
0.128 |
3 |
0 |
0 |
0.000 |
| 30 |
51 |
|
B |
8 |
3 |
19689 |
◊ |
[BTB]A:506 |
x-1,y,z |
1_455 |
8 |
1 |
340 |
85.0 |
1.5 |
0.185 |
2 |
0 |
0 |
0.000 |
| 31 |
52 |
|
[BTB]B:506 |
8 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19689 |
83.7 |
1.1 |
0.062 |
5 |
0 |
0 |
0.009 |
| 32 |
53 |
|
[BTB]B:505 |
8 |
1 |
344 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
19689 |
78.7 |
0.7 |
0.041 |
4 |
0 |
0 |
0.009 |
54 |
|
[BTB]D:505 |
7 |
1 |
345 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
19874 |
72.8 |
0.6 |
0.055 |
4 |
0 |
0 |
0.009 |
| Average: |
75.7 |
0.7 |
0.048 |
4 |
0 |
0 |
0.009 |
| 33 |
55 |
|
[GD]B:508 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
19689 |
74.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.033 |
56 |
|
[GD]D:509 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
19874 |
72.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
73.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| 34 |
57 |
|
[BTB]C:507 |
5 |
1 |
338 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
19927 |
72.3 |
1.7 |
0.341 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[BTB]B:506 |
5 |
1 |
342 |
◊ |
C |
-x-1,y-1/2,-z-3 |
2_442 |
8 |
3 |
19927 |
68.6 |
1.4 |
0.258 |
2 |
0 |
0 |
0.000 |
| 36 |
59 |
|
[BTB]A:507 |
6 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19865 |
62.9 |
2.2 |
0.285 |
0 |
0 |
0 |
0.000 |
| 37 |
60 |
|
[BTB]D:508 |
6 |
1 |
344 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
19874 |
58.7 |
1.6 |
0.166 |
3 |
0 |
0 |
0.000 |
| 38 |
61 |
|
[GOL]A:510 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
19865 |
56.8 |
0.8 |
0.795 |
2 |
0 |
0 |
0.000 |
| 39 |
62 |
|
[GOL]C:510 |
5 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19927 |
53.9 |
1.0 |
0.832 |
3 |
0 |
0 |
0.000 |
| 40 |
63 |
|
[BTB]A:505 |
4 |
1 |
337 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
19874 |
51.7 |
0.9 |
0.246 |
2 |
0 |
0 |
0.000 |
| 41 |
64 |
|
C |
5 |
2 |
19927 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
19865 |
51.0 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
65 |
|
A |
7 |
2 |
19865 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
19927 |
32.8 |
-0.7 |
0.346 |
0 |
0 |
0 |
0.000 |
| Average: |
41.9 |
-0.4 |
0.491 |
0 |
0 |
0 |
0.000 |
| 42 |
66 |
|
[BTB]A:506 |
5 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
19865 |
50.6 |
-0.1 |
0.128 |
1 |
0 |
0 |
0.004 |
| 43 |
67 |
|
[GD]C:501 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
19927 |
45.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[GD]A:511 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19865 |
45.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
45.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
69 |
|
[H4B]C:503 |
5 |
1 |
395 |
f |
[HEM]C:502 |
x,y,z |
1_555 |
6 |
1 |
820 |
44.3 |
-1.2 |
0.485 |
1 |
0 |
0 |
0.016 |
70 |
|
[H4B]B:502 |
5 |
1 |
396 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
828 |
43.7 |
-1.2 |
0.430 |
2 |
0 |
0 |
0.016 |
| Average: |
44.0 |
-1.2 |
0.457 |
2 |
0 |
0 |
0.016 |
| 45 |
71 |
|
[H4B]D:502 |
5 |
1 |
395 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
5 |
1 |
823 |
44.2 |
-1.2 |
0.437 |
1 |
0 |
0 |
0.013 |
72 |
|
[H4B]A:502 |
5 |
1 |
397 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
813 |
43.5 |
-1.1 |
0.449 |
1 |
0 |
0 |
0.013 |
| Average: |
43.8 |
-1.2 |
0.443 |
1 |
0 |
0 |
0.013 |
| 46 |
73 |
|
[GD]A:511 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
19874 |
43.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.020 |
74 |
|
B |
4 |
3 |
19689 |
f |
[GD]C:501 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
25.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
34.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 47 |
75 |
|
B |
5 |
3 |
19689 |
f |
[BTB]C:507 |
-x,y-1/2,-z-3 |
2_542 |
4 |
1 |
338 |
42.4 |
1.3 |
0.326 |
0 |
0 |
0 |
0.000 |
| 48 |
76 |
|
B |
5 |
1 |
19689 |
◊ |
[BTB]C:506 |
x-1,y,z |
1_455 |
4 |
1 |
338 |
39.4 |
1.0 |
0.266 |
0 |
0 |
0 |
0.000 |
| 49 |
77 |
|
B |
6 |
2 |
19689 |
f |
[GOL]C:510 |
-x-1,y-1/2,-z-3 |
2_442 |
3 |
1 |
215 |
38.9 |
-0.5 |
0.569 |
0 |
0 |
0 |
0.004 |
| 50 |
78 |
|
[ACT]D:504 |
3 |
1 |
183 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
5 |
1 |
823 |
36.7 |
-1.1 |
0.754 |
0 |
0 |
0 |
0.009 |
| 51 |
79 |
|
[BTB]D:508 |
2 |
1 |
344 |
f |
[BTB]D:507 |
x,y,z |
1_555 |
5 |
1 |
348 |
35.9 |
2.0 |
0.152 |
0 |
0 |
0 |
0.000 |
| 52 |
80 |
|
[ZN]C:508 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
19874 |
35.3 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.242 |
81 |
|
[ZN]C:508 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19927 |
34.8 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.242 |
82 |
|
[ZN]A:508 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19865 |
34.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.242 |
83 |
|
[ZN]A:508 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19689 |
34.5 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.242 |
| Average: |
34.8 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.242 |
| 53 |
84 |
|
[GD]D:509 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19865 |
33.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
|
[GD]B:508 |
1 |
1 |
216 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
19927 |
32.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
33.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
86 |
|
[ACT]C:509 |
3 |
1 |
182 |
f |
[HEM]C:502 |
x,y,z |
1_555 |
5 |
1 |
820 |
33.6 |
-1.0 |
0.758 |
0 |
0 |
0 |
0.008 |
| 55 |
87 |
|
[ACT]A:509 |
3 |
1 |
182 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
5 |
1 |
813 |
31.9 |
-0.9 |
0.811 |
0 |
0 |
0 |
0.007 |
| 56 |
88 |
|
[OUG]A:503 |
3 |
1 |
475 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
3 |
1 |
397 |
30.4 |
-0.1 |
0.349 |
1 |
0 |
0 |
0.004 |
89 |
|
[OUG]D:503 |
3 |
1 |
472 |
f |
[H4B]D:502 |
x,y,z |
1_555 |
3 |
1 |
395 |
26.7 |
0.1 |
0.371 |
1 |
0 |
0 |
0.004 |
| Average: |
28.5 |
0.0 |
0.360 |
1 |
0 |
0 |
0.004 |
| 57 |
90 |
|
[BTB]B:507 |
3 |
1 |
352 |
f |
[GD]C:501 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
30.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 58 |
91 |
|
[ACT]B:504 |
3 |
1 |
183 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
828 |
29.1 |
-0.8 |
0.818 |
0 |
0 |
0 |
0.006 |
| 59 |
92 |
|
[OUG]C:504 |
1 |
1 |
472 |
f |
[H4B]C:503 |
x,y,z |
1_555 |
3 |
1 |
395 |
23.7 |
0.0 |
0.359 |
1 |
0 |
0 |
0.004 |
93 |
|
[OUG]B:503 |
1 |
1 |
471 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
3 |
1 |
396 |
20.2 |
-0.0 |
0.394 |
1 |
0 |
0 |
0.004 |
| Average: |
22.0 |
-0.0 |
0.377 |
1 |
0 |
0 |
0.004 |
| 60 |
94 |
|
[BTB]D:506 |
2 |
1 |
340 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
19689 |
20.5 |
0.8 |
0.463 |
0 |
0 |
0 |
0.000 |
| 61 |
95 |
|
[GD]A:511 |
1 |
1 |
216 |
f |
[BTB]D:507 |
x,y,z |
1_555 |
2 |
1 |
348 |
13.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 62 |
96 |
|
B |
1 |
1 |
19689 |
◊ |
C |
-x,y-1/2,-z-3 |
2_542 |
2 |
1 |
19927 |
9.8 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
| 63 |
97 |
|
A |
2 |
1 |
19865 |
◊ |
C |
-x-1,y-1/2,-z-3 |
2_442 |
1 |
1 |
19927 |
7.3 |
0.2 |
0.619 |
0 |
0 |
0 |
0.000 |
| 64 |
98 |
|
D |
1 |
1 |
19874 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
19927 |
5.9 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
| 65 |
99 |
|
[BTB]C:506 |
1 |
1 |
338 |
f |
[BTB]A:506 |
x,y,z |
1_555 |
1 |
1 |
340 |
3.0 |
0.2 |
0.113 |
0 |
0 |
0 |
0.000 |
| 66 |
100 |
|
[BTB]B:506 |
1 |
1 |
342 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
19874 |
2.1 |
0.1 |
0.253 |
0 |
0 |
0 |
0.000 |
| 67 |
101 |
|
[BTB]B:507 |
1 |
1 |
352 |
f |
[BTB]C:505 |
x-1,y,z |
1_455 |
1 |
1 |
344 |
1.2 |
0.0 |
0.113 |
0 |
0 |
0 |
0.000 |
| 68 |
102 |
|
[BTB]C:505 |
1 |
1 |
344 |
◊ |
[BTB]A:506 |
x,y,z |
1_555 |
1 |
1 |
340 |
0.7 |
0.0 |
0.113 |
0 |
0 |
0 |
0.000 |
|