| ## |
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 |
268 |
70 |
19715 |
◊ |
A |
x,y,z |
1_555 |
264 |
68 |
19941 |
2638.2 |
-34.8 |
0.018 |
32 |
9 |
0 |
0.335 |
2 |
|
D |
263 |
69 |
19873 |
◊ |
C |
x,y,z |
1_555 |
263 |
71 |
19546 |
2613.1 |
-35.5 |
0.011 |
30 |
7 |
0 |
0.335 |
| Average: |
2625.6 |
-35.2 |
0.014 |
31 |
8 |
0 |
0.335 |
| 2 |
3 |
|
[HEM]B:501 |
42 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
78 |
25 |
19715 |
530.6 |
-18.1 |
0.298 |
1 |
0 |
0 |
0.249 |
4 |
|
[HEM]A:501 |
41 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
78 |
24 |
19941 |
530.4 |
-18.4 |
0.322 |
1 |
0 |
0 |
0.249 |
5 |
|
[HEM]C:501 |
42 |
1 |
816 |
f |
C |
x,y,z |
1_555 |
85 |
24 |
19546 |
528.5 |
-18.1 |
0.399 |
1 |
0 |
0 |
0.249 |
6 |
|
[HEM]D:501 |
42 |
1 |
827 |
f |
D |
x,y,z |
1_555 |
78 |
23 |
19873 |
528.1 |
-18.1 |
0.315 |
1 |
0 |
0 |
0.249 |
| Average: |
529.4 |
-18.2 |
0.334 |
1 |
0 |
0 |
0.249 |
| 3 |
7 |
|
D |
48 |
14 |
19873 |
◊ |
B |
x,y,z-1 |
1_554 |
53 |
13 |
19715 |
473.0 |
2.6 |
0.782 |
9 |
5 |
0 |
0.000 |
| 4 |
8 |
|
C |
53 |
15 |
19546 |
◊ |
B |
x,y,z |
1_555 |
55 |
18 |
19715 |
460.8 |
-4.1 |
0.295 |
4 |
4 |
0 |
0.000 |
9 |
|
A |
44 |
14 |
19941 |
◊ |
D |
x-1,y,z |
1_455 |
50 |
16 |
19873 |
436.5 |
-2.5 |
0.365 |
4 |
5 |
0 |
0.000 |
| Average: |
448.7 |
-3.3 |
0.330 |
4 |
5 |
0 |
0.000 |
| 5 |
10 |
|
[9OJ]B:503 |
25 |
1 |
596 |
f |
B |
x,y,z |
1_555 |
39 |
16 |
19715 |
294.7 |
-3.8 |
0.315 |
3 |
0 |
0 |
0.069 |
11 |
|
[9OJ]D:503 |
23 |
1 |
595 |
f |
D |
x,y,z |
1_555 |
34 |
16 |
19873 |
292.5 |
-3.8 |
0.281 |
3 |
0 |
0 |
0.069 |
12 |
|
[9OJ]A:503 |
25 |
1 |
592 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
19941 |
290.2 |
-3.9 |
0.294 |
3 |
0 |
0 |
0.069 |
13 |
|
[9OJ]C:503 |
24 |
1 |
591 |
f |
C |
x,y,z |
1_555 |
36 |
16 |
19546 |
284.7 |
-3.7 |
0.328 |
3 |
0 |
0 |
0.069 |
| Average: |
290.5 |
-3.8 |
0.304 |
3 |
0 |
0 |
0.069 |
| 6 |
14 |
|
C |
35 |
9 |
19546 |
◊ |
B |
-x+3,y-1/2,-z-3 |
2_842 |
34 |
12 |
19715 |
285.3 |
-1.4 |
0.566 |
2 |
2 |
0 |
0.000 |
| 7 |
15 |
|
B |
22 |
5 |
19715 |
◊ |
D |
x-1,y,z+1 |
1_456 |
29 |
9 |
19873 |
264.8 |
2.1 |
0.830 |
5 |
2 |
0 |
0.000 |
| 8 |
16 |
|
[BTB]C:506 |
13 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
19546 |
207.4 |
5.8 |
0.306 |
7 |
0 |
0 |
0.000 |
| 9 |
17 |
|
[H4B]B:502 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
28 |
8 |
19715 |
194.1 |
2.4 |
0.461 |
2 |
0 |
0 |
0.000 |
18 |
|
[H4B]D:502 |
17 |
1 |
396 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
19873 |
190.4 |
2.7 |
0.509 |
2 |
0 |
0 |
0.000 |
19 |
|
[H4B]A:502 |
17 |
1 |
394 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
19941 |
189.6 |
2.6 |
0.504 |
2 |
0 |
0 |
0.000 |
20 |
|
[H4B]C:502 |
17 |
1 |
396 |
f |
C |
x,y,z |
1_555 |
30 |
10 |
19546 |
188.8 |
2.6 |
0.519 |
3 |
0 |
0 |
0.000 |
| Average: |
190.7 |
2.6 |
0.498 |
2 |
0 |
0 |
0.000 |
| 10 |
21 |
|
[9OJ]B:503 |
17 |
1 |
596 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
35 |
1 |
822 |
168.0 |
-5.4 |
0.687 |
1 |
0 |
0 |
0.077 |
22 |
|
[9OJ]D:503 |
17 |
1 |
595 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
32 |
1 |
827 |
165.2 |
-5.3 |
0.695 |
1 |
0 |
0 |
0.077 |
23 |
|
[9OJ]C:503 |
17 |
1 |
591 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
35 |
1 |
816 |
164.9 |
-5.2 |
0.700 |
1 |
0 |
0 |
0.077 |
24 |
|
[9OJ]A:503 |
18 |
1 |
592 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
35 |
1 |
812 |
164.3 |
-5.3 |
0.685 |
0 |
0 |
0 |
0.077 |
| Average: |
165.6 |
-5.3 |
0.692 |
1 |
0 |
0 |
0.077 |
| 11 |
25 |
|
A |
17 |
8 |
19941 |
◊ |
[BTB]D:504 |
x-1,y,z |
1_455 |
11 |
1 |
345 |
140.9 |
4.4 |
0.222 |
1 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[BTB]B:504 |
10 |
1 |
345 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
19546 |
139.5 |
3.9 |
0.228 |
2 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[BTB]B:508 |
10 |
1 |
346 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
19715 |
138.7 |
2.7 |
0.170 |
3 |
0 |
0 |
0.000 |
| 14 |
28 |
|
D |
21 |
7 |
19873 |
x |
D |
x-1,y,z |
1_455 |
14 |
3 |
19873 |
136.2 |
-0.2 |
0.630 |
1 |
0 |
0 |
0.000 |
29 |
|
B |
14 |
7 |
19715 |
x |
B |
x-1,y,z |
1_455 |
22 |
8 |
19715 |
128.5 |
-0.0 |
0.639 |
1 |
0 |
0 |
0.000 |
| Average: |
132.4 |
-0.1 |
0.634 |
1 |
0 |
0 |
0.000 |
| 15 |
30 |
|
B |
14 |
5 |
19715 |
◊ |
A |
-x+2,y-1/2,-z-3 |
2_742 |
12 |
5 |
19941 |
126.8 |
0.6 |
0.580 |
1 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[H4B]B:502 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
26 |
6 |
19941 |
122.0 |
-0.0 |
0.301 |
1 |
0 |
0 |
0.007 |
32 |
|
[H4B]A:502 |
13 |
1 |
394 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
19715 |
118.6 |
-0.1 |
0.266 |
1 |
0 |
0 |
0.007 |
| Average: |
120.3 |
-0.1 |
0.283 |
1 |
0 |
0 |
0.007 |
| 17 |
33 |
|
[BTB]A:504 |
10 |
1 |
347 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
19941 |
122.0 |
2.7 |
0.208 |
2 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[H4B]D:502 |
13 |
1 |
396 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
19546 |
119.5 |
-0.1 |
0.277 |
1 |
0 |
0 |
0.007 |
35 |
|
[H4B]C:502 |
12 |
1 |
396 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
19873 |
118.4 |
-0.1 |
0.281 |
1 |
0 |
0 |
0.007 |
| Average: |
119.0 |
-0.1 |
0.279 |
1 |
0 |
0 |
0.007 |
| 19 |
36 |
|
[BTB]A:504 |
9 |
1 |
347 |
f |
D |
x-1,y,z |
1_455 |
15 |
5 |
19873 |
112.9 |
1.9 |
0.182 |
2 |
0 |
0 |
0.000 |
| 20 |
37 |
|
[BTB]A:505 |
8 |
1 |
344 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
19941 |
105.2 |
3.5 |
0.322 |
0 |
0 |
0 |
0.000 |
| 21 |
38 |
|
[BTB]C:504 |
8 |
1 |
348 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
19546 |
101.3 |
2.1 |
0.178 |
1 |
0 |
0 |
0.000 |
| 22 |
39 |
|
[BTB]B:508 |
8 |
1 |
346 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
19546 |
99.9 |
1.8 |
0.154 |
1 |
0 |
0 |
0.000 |
| 23 |
40 |
|
[GD]C:510 |
1 |
1 |
216 |
f |
[BTB]B:508 |
x,y,z |
1_555 |
8 |
1 |
346 |
90.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.066 |
41 |
|
[GD]A:510 |
1 |
1 |
216 |
f |
[BTB]A:504 |
x,y,z |
1_555 |
7 |
1 |
347 |
89.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.066 |
42 |
|
[GD]B:507 |
1 |
1 |
216 |
f |
[BTB]B:504 |
x,y,z |
1_555 |
6 |
1 |
345 |
81.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.066 |
43 |
|
[GD]D:506 |
1 |
1 |
216 |
f |
[BTB]D:504 |
x,y,z |
1_555 |
8 |
1 |
345 |
80.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
85.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.066 |
| 24 |
44 |
|
C |
13 |
5 |
19546 |
◊ |
B |
-x+2,y-1/2,-z-3 |
2_742 |
9 |
5 |
19715 |
87.6 |
1.7 |
0.811 |
0 |
0 |
0 |
0.000 |
| 25 |
45 |
|
[BTB]D:505 |
8 |
1 |
343 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
19873 |
84.8 |
2.7 |
0.267 |
2 |
0 |
0 |
0.000 |
| 26 |
46 |
|
[BTB]B:505 |
7 |
1 |
346 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
19715 |
84.1 |
2.6 |
0.298 |
0 |
0 |
0 |
0.000 |
| 27 |
47 |
|
[BTB]C:505 |
8 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
19546 |
78.5 |
2.4 |
0.215 |
0 |
0 |
0 |
0.000 |
| 28 |
48 |
|
[BTB]A:506 |
7 |
1 |
352 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19941 |
77.6 |
1.1 |
0.088 |
2 |
0 |
0 |
0.000 |
| 29 |
49 |
|
[BTB]B:504 |
8 |
1 |
345 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
19715 |
77.0 |
0.9 |
0.058 |
4 |
0 |
0 |
0.006 |
| 30 |
50 |
|
[BTB]D:504 |
7 |
1 |
345 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
19873 |
75.9 |
0.4 |
0.071 |
4 |
0 |
0 |
0.009 |
| 31 |
51 |
|
C |
7 |
2 |
19546 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
19941 |
74.2 |
0.6 |
0.777 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
4 |
1 |
19941 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
19546 |
20.0 |
-0.4 |
0.457 |
0 |
0 |
0 |
0.000 |
| Average: |
47.1 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| 32 |
53 |
|
[GD]D:506 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
19873 |
74.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.029 |
54 |
|
[GD]B:507 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
19715 |
72.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
73.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| 33 |
55 |
|
[CL]A:509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
19941 |
70.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.139 |
56 |
|
[CL]C:509 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
19546 |
70.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.139 |
57 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
19715 |
69.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.139 |
58 |
|
[CL]D:507 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
19873 |
68.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
69.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.139 |
| 34 |
59 |
|
[BTB]C:504 |
7 |
1 |
348 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
19715 |
66.1 |
1.5 |
0.171 |
3 |
0 |
0 |
0.000 |
| 35 |
60 |
|
[GOL]C:508 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
19546 |
56.1 |
0.9 |
0.814 |
2 |
0 |
0 |
0.000 |
| 36 |
61 |
|
[GOL]A:508 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
19941 |
50.1 |
0.9 |
0.818 |
2 |
0 |
0 |
0.000 |
| 37 |
62 |
|
C |
3 |
1 |
19546 |
◊ |
A |
-x+3,y-1/2,-z-3 |
2_842 |
9 |
2 |
19941 |
47.8 |
0.6 |
0.566 |
0 |
0 |
0 |
0.000 |
| 38 |
63 |
|
[BTB]C:505 |
6 |
1 |
354 |
f |
B |
-x+2,y-1/2,-z-3 |
2_742 |
7 |
4 |
19715 |
47.3 |
0.1 |
0.094 |
0 |
0 |
0 |
0.000 |
| 39 |
64 |
|
[GD]C:510 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
19546 |
46.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[GD]A:510 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
19941 |
41.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
44.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
66 |
|
[BTB]A:505 |
4 |
1 |
344 |
f |
D |
x-1,y,z |
1_455 |
5 |
2 |
19873 |
45.3 |
1.1 |
0.275 |
2 |
0 |
0 |
0.000 |
| 41 |
67 |
|
[GD]A:510 |
1 |
1 |
216 |
f |
D |
x-1,y,z |
1_455 |
5 |
3 |
19873 |
45.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
68 |
|
[GD]C:510 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
19715 |
37.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
41.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
| 42 |
69 |
|
[H4B]C:502 |
4 |
1 |
396 |
f |
[HEM]C:501 |
x,y,z |
1_555 |
5 |
1 |
816 |
42.8 |
-1.0 |
0.484 |
2 |
0 |
0 |
0.025 |
70 |
|
[H4B]A:502 |
4 |
1 |
394 |
f |
[HEM]A:501 |
x,y,z |
1_555 |
6 |
1 |
812 |
42.6 |
-1.1 |
0.521 |
1 |
0 |
0 |
0.025 |
71 |
|
[H4B]D:502 |
4 |
1 |
396 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
5 |
1 |
827 |
42.0 |
-1.3 |
0.457 |
1 |
0 |
0 |
0.025 |
72 |
|
[H4B]B:502 |
5 |
1 |
396 |
f |
[HEM]B:501 |
x,y,z |
1_555 |
5 |
1 |
822 |
41.5 |
-1.5 |
0.396 |
1 |
0 |
0 |
0.025 |
| Average: |
42.2 |
-1.2 |
0.464 |
1 |
0 |
0 |
0.025 |
| 43 |
73 |
|
D |
4 |
2 |
19873 |
f |
[BTB]B:505 |
x,y,z-1 |
1_554 |
3 |
1 |
346 |
41.1 |
0.9 |
0.295 |
2 |
0 |
0 |
0.000 |
| 44 |
74 |
|
C |
5 |
2 |
19546 |
◊ |
[BTB]B:505 |
-x+3,y-1/2,-z-3 |
2_842 |
4 |
1 |
346 |
40.7 |
0.9 |
0.239 |
2 |
0 |
0 |
0.000 |
| 45 |
75 |
|
A |
8 |
4 |
19941 |
◊ |
[GD]D:506 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
37.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[GD]B:507 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
19546 |
34.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
35.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
77 |
|
[GOL]C:508 |
4 |
1 |
216 |
f |
B |
-x+3,y-1/2,-z-3 |
2_842 |
7 |
3 |
19715 |
36.7 |
-0.4 |
0.587 |
0 |
0 |
0 |
0.002 |
| 47 |
78 |
|
[9OJ]A:503 |
5 |
1 |
592 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19715 |
35.6 |
-0.1 |
0.315 |
0 |
0 |
0 |
0.002 |
79 |
|
[9OJ]C:503 |
6 |
1 |
591 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
19873 |
34.1 |
-0.1 |
0.315 |
0 |
0 |
0 |
0.002 |
80 |
|
[9OJ]D:503 |
5 |
1 |
595 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
19546 |
32.7 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.002 |
81 |
|
[9OJ]B:503 |
5 |
1 |
596 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19941 |
30.5 |
-0.0 |
0.363 |
0 |
0 |
0 |
0.002 |
| Average: |
33.2 |
-0.1 |
0.346 |
0 |
0 |
0 |
0.002 |
| 48 |
82 |
|
[ZN]C:507 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
19546 |
34.9 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.214 |
83 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19941 |
34.7 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.214 |
84 |
|
[ZN]C:507 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
19873 |
34.3 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.214 |
85 |
|
[ZN]A:507 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19715 |
34.0 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.214 |
| Average: |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.214 |
| 49 |
86 |
|
[9OJ]C:503 |
3 |
1 |
591 |
f |
[H4B]C:502 |
x,y,z |
1_555 |
3 |
1 |
396 |
18.0 |
-0.2 |
0.352 |
0 |
0 |
0 |
0.004 |
87 |
|
[9OJ]A:503 |
3 |
1 |
592 |
f |
[H4B]A:502 |
x,y,z |
1_555 |
3 |
1 |
394 |
17.7 |
-0.3 |
0.345 |
0 |
0 |
0 |
0.004 |
88 |
|
[9OJ]B:503 |
3 |
1 |
596 |
f |
[H4B]B:502 |
x,y,z |
1_555 |
3 |
1 |
396 |
14.8 |
-0.3 |
0.331 |
0 |
0 |
0 |
0.004 |
| Average: |
16.8 |
-0.3 |
0.343 |
0 |
0 |
0 |
0.004 |
| 50 |
89 |
|
[CL]D:507 |
1 |
1 |
125 |
f |
[9OJ]D:503 |
x,y,z |
1_555 |
3 |
1 |
595 |
17.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.024 |
90 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
[9OJ]B:503 |
x,y,z |
1_555 |
2 |
1 |
596 |
15.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.024 |
91 |
|
[CL]C:509 |
1 |
1 |
125 |
f |
[9OJ]C:503 |
x,y,z |
1_555 |
2 |
1 |
591 |
13.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
92 |
|
[CL]A:509 |
1 |
1 |
125 |
f |
[9OJ]A:503 |
x,y,z |
1_555 |
2 |
1 |
592 |
11.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
14.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 51 |
93 |
|
[9OJ]D:503 |
3 |
1 |
595 |
f |
[H4B]D:502 |
x,y,z |
1_555 |
3 |
1 |
396 |
13.2 |
-0.3 |
0.344 |
0 |
0 |
0 |
0.002 |
| 52 |
94 |
|
B |
3 |
1 |
19715 |
f |
[BTB]D:505 |
x-1,y,z+1 |
1_456 |
2 |
1 |
343 |
7.9 |
0.1 |
0.260 |
0 |
0 |
0 |
0.000 |
| 53 |
95 |
|
[CL]D:507 |
1 |
1 |
125 |
f |
[HEM]D:501 |
x,y,z |
1_555 |
1 |
1 |
827 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|