## |
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 |
|
F |
218 |
51 |
7514 |
◊ |
E |
x,y,z |
1_555 |
225 |
51 |
7222 |
2060.2 |
-23.7 |
0.234 |
38 |
8 |
0 |
0.789 |
2 |
|
B |
221 |
54 |
7613 |
◊ |
A |
x,y,z |
1_555 |
218 |
49 |
7417 |
2039.7 |
-23.3 |
0.242 |
35 |
10 |
0 |
0.789 |
3 |
|
J |
215 |
49 |
7662 |
◊ |
I |
x,y,z |
1_555 |
216 |
50 |
7374 |
2008.2 |
-22.9 |
0.260 |
29 |
10 |
0 |
0.789 |
4 |
|
N |
213 |
48 |
7183 |
◊ |
M |
x,y,z |
1_555 |
213 |
50 |
7234 |
1976.6 |
-22.6 |
0.163 |
39 |
11 |
0 |
0.789 |
Average: |
2021.2 |
-23.1 |
0.225 |
35 |
10 |
0 |
0.789 |
2 |
5 |
|
M |
47 |
16 |
7234 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
47 |
15 |
7613 |
474.1 |
0.1 |
0.746 |
6 |
8 |
0 |
0.000 |
6 |
|
F |
47 |
15 |
7514 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
50 |
14 |
7374 |
470.9 |
-2.1 |
0.633 |
7 |
8 |
0 |
0.000 |
Average: |
472.5 |
-1.0 |
0.689 |
7 |
8 |
0 |
0.000 |
3 |
7 |
|
N |
48 |
11 |
7183 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
41 |
13 |
7374 |
375.3 |
-4.8 |
0.271 |
0 |
0 |
0 |
0.000 |
8 |
|
E |
49 |
11 |
7222 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
40 |
12 |
7613 |
371.4 |
-4.8 |
0.290 |
0 |
0 |
0 |
0.000 |
Average: |
373.3 |
-4.8 |
0.281 |
0 |
0 |
0 |
0.000 |
4 |
9 |
|
[5GP]M:207 |
23 |
1 |
510 |
f |
M |
x,y,z |
1_555 |
43 |
21 |
7234 |
348.2 |
-7.0 |
0.285 |
5 |
0 |
0 |
0.380 |
10 |
|
[5GP]A:201 |
23 |
1 |
513 |
f |
A |
x,y,z |
1_555 |
43 |
22 |
7417 |
348.1 |
-7.0 |
0.330 |
6 |
0 |
0 |
0.380 |
11 |
|
[5GP]E:203 |
23 |
1 |
512 |
f |
E |
x,y,z |
1_555 |
42 |
21 |
7222 |
344.8 |
-6.9 |
0.321 |
6 |
0 |
0 |
0.380 |
12 |
|
[5GP]F:202 |
23 |
1 |
513 |
f |
F |
x,y,z |
1_555 |
45 |
20 |
7514 |
344.3 |
-6.7 |
0.354 |
6 |
0 |
0 |
0.380 |
13 |
|
[5GP]J:204 |
23 |
1 |
511 |
f |
J |
x,y,z |
1_555 |
42 |
21 |
7662 |
343.3 |
-7.1 |
0.343 |
5 |
0 |
0 |
0.380 |
14 |
|
[5GP]N:206 |
23 |
1 |
515 |
f |
N |
x,y,z |
1_555 |
46 |
21 |
7183 |
328.2 |
-5.8 |
0.364 |
5 |
0 |
0 |
0.380 |
15 |
|
[5GP]I:205 |
23 |
1 |
512 |
f |
I |
x,y,z |
1_555 |
43 |
18 |
7374 |
308.7 |
-6.3 |
0.307 |
7 |
0 |
0 |
0.380 |
16 |
|
[5GP]B:200 |
23 |
1 |
511 |
f |
B |
x,y,z |
1_555 |
41 |
18 |
7613 |
305.4 |
-5.6 |
0.373 |
6 |
0 |
0 |
0.380 |
Average: |
333.9 |
-6.6 |
0.335 |
6 |
0 |
0 |
0.380 |
5 |
17 |
|
F |
35 |
12 |
7514 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
40 |
9 |
7417 |
291.5 |
-4.1 |
0.290 |
0 |
0 |
0 |
0.000 |
18 |
|
M |
31 |
9 |
7234 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
38 |
8 |
7662 |
284.4 |
-3.4 |
0.298 |
0 |
0 |
0 |
0.000 |
Average: |
288.0 |
-3.7 |
0.294 |
0 |
0 |
0 |
0.000 |
6 |
19 |
|
J |
23 |
8 |
7662 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
7417 |
258.3 |
-3.7 |
0.334 |
1 |
1 |
0 |
0.000 |
7 |
20 |
|
J |
26 |
6 |
7662 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
7613 |
243.7 |
-0.9 |
0.648 |
6 |
2 |
0 |
0.000 |
8 |
21 |
|
B |
24 |
8 |
7613 |
◊ |
N |
x-1,y,z |
1_455 |
23 |
7 |
7183 |
213.7 |
1.2 |
0.814 |
3 |
0 |
0 |
0.000 |
9 |
22 |
|
N |
21 |
6 |
7183 |
◊ |
F |
x,y,z |
1_555 |
21 |
5 |
7514 |
186.9 |
1.3 |
0.822 |
3 |
2 |
0 |
0.000 |
10 |
23 |
|
A |
22 |
7 |
7417 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
19 |
4 |
7374 |
183.5 |
-0.4 |
0.663 |
3 |
0 |
0 |
0.000 |
11 |
24 |
|
J |
14 |
4 |
7662 |
◊ |
N |
x-1,y,z |
1_455 |
24 |
9 |
7183 |
171.2 |
-1.9 |
0.379 |
1 |
0 |
0 |
0.000 |
12 |
25 |
|
I |
20 |
10 |
7374 |
x |
I |
-x-1,y-1/2,-z |
2_445 |
20 |
5 |
7374 |
159.4 |
-0.5 |
0.631 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
J |
14 |
4 |
7662 |
◊ |
F |
x-1,y+1,z |
1_465 |
16 |
6 |
7514 |
146.4 |
-0.4 |
0.640 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
M |
22 |
9 |
7234 |
x |
M |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
7234 |
146.4 |
0.7 |
0.772 |
2 |
2 |
0 |
0.000 |
15 |
28 |
|
E |
16 |
5 |
7222 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
7417 |
145.8 |
-0.1 |
0.632 |
1 |
1 |
0 |
0.000 |
16 |
29 |
|
F |
14 |
5 |
7514 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
7417 |
139.5 |
-1.6 |
0.322 |
1 |
1 |
0 |
0.000 |
17 |
30 |
|
E |
22 |
7 |
7222 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
6 |
7234 |
138.7 |
-1.5 |
0.470 |
2 |
0 |
0 |
0.000 |
18 |
31 |
|
E |
14 |
5 |
7222 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
4 |
7417 |
135.6 |
-1.4 |
0.395 |
1 |
1 |
0 |
0.000 |
19 |
32 |
|
I |
15 |
5 |
7374 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
7417 |
119.7 |
-2.3 |
0.295 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
I |
15 |
4 |
7374 |
◊ |
J |
-x-1,y-1/2,-z |
2_445 |
11 |
5 |
7662 |
110.8 |
-0.3 |
0.401 |
1 |
0 |
0 |
0.000 |
21 |
34 |
|
[EDO]J:120 |
4 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
16 |
8 |
7662 |
109.4 |
3.7 |
0.521 |
3 |
0 |
0 |
0.000 |
22 |
35 |
|
[EDO]I:120 |
4 |
1 |
183 |
f |
I |
x,y,z |
1_555 |
16 |
9 |
7374 |
107.2 |
3.4 |
0.481 |
3 |
0 |
0 |
0.000 |
23 |
36 |
|
[EDO]B:121 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
7613 |
107.1 |
3.4 |
0.483 |
2 |
0 |
0 |
0.000 |
24 |
37 |
|
M |
18 |
4 |
7234 |
◊ |
N |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
7183 |
103.6 |
-0.5 |
0.321 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
E |
8 |
2 |
7222 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
4 |
7613 |
98.7 |
-2.5 |
0.096 |
1 |
0 |
0 |
0.000 |
26 |
39 |
|
[EDO]B:124 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
7613 |
98.7 |
2.4 |
0.427 |
2 |
0 |
0 |
0.000 |
27 |
40 |
|
F |
16 |
8 |
7514 |
◊ |
[EDO]I:122 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
183 |
97.2 |
3.6 |
0.534 |
4 |
0 |
0 |
0.000 |
41 |
|
[EDO]F:120 |
4 |
1 |
184 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
16 |
8 |
7374 |
94.9 |
3.3 |
0.517 |
4 |
0 |
0 |
0.000 |
Average: |
96.1 |
3.5 |
0.526 |
4 |
0 |
0 |
0.000 |
28 |
42 |
|
[EDO]N:123 |
4 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
18 |
7 |
7183 |
96.3 |
2.3 |
0.450 |
2 |
0 |
0 |
0.000 |
29 |
43 |
|
[EDO]I:123 |
4 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
7374 |
94.9 |
2.5 |
0.284 |
3 |
0 |
0 |
0.000 |
30 |
44 |
|
[EDO]N:122 |
4 |
1 |
183 |
◊ |
N |
x,y,z |
1_555 |
11 |
6 |
7183 |
93.3 |
2.5 |
0.264 |
2 |
0 |
0 |
0.000 |
31 |
45 |
|
[EDO]B:123 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
7613 |
89.1 |
2.4 |
0.285 |
2 |
0 |
0 |
0.000 |
32 |
46 |
|
M |
10 |
4 |
7234 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
7514 |
85.2 |
-2.0 |
0.149 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[EDO]A:121 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
7613 |
83.4 |
2.0 |
0.493 |
2 |
0 |
0 |
0.000 |
34 |
48 |
|
M |
8 |
3 |
7234 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
7222 |
83.0 |
-1.5 |
0.246 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[EDO]J:121 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
18 |
5 |
7662 |
82.0 |
1.9 |
0.284 |
2 |
0 |
0 |
0.000 |
36 |
50 |
|
[EDO]N:120 |
4 |
1 |
185 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
17 |
7 |
7374 |
75.0 |
2.2 |
0.453 |
1 |
0 |
0 |
0.000 |
37 |
51 |
|
[EDO]B:120 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
7613 |
74.4 |
2.2 |
0.459 |
1 |
0 |
0 |
0.000 |
38 |
52 |
|
[EDO]B:122 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
7613 |
73.4 |
2.1 |
0.293 |
2 |
0 |
0 |
0.000 |
39 |
53 |
|
[EDO]E:120 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
7222 |
72.5 |
2.0 |
0.285 |
2 |
0 |
0 |
0.000 |
40 |
54 |
|
[EDO]N:124 |
4 |
1 |
183 |
f |
N |
x,y,z |
1_555 |
11 |
5 |
7183 |
71.4 |
1.8 |
0.265 |
1 |
0 |
0 |
0.000 |
41 |
55 |
|
B |
8 |
3 |
7613 |
◊ |
[EDO]N:124 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
68.5 |
1.8 |
0.827 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[EDO]A:120 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7417 |
67.1 |
1.6 |
0.802 |
2 |
0 |
0 |
0.000 |
43 |
57 |
|
[EDO]A:122 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
9 |
5 |
7662 |
66.2 |
1.6 |
0.257 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[EDO]M:121 |
4 |
1 |
183 |
f |
N |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
7183 |
63.3 |
1.2 |
0.774 |
3 |
0 |
0 |
0.002 |
45 |
59 |
|
[EDO]A:122 |
4 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
9 |
5 |
7374 |
61.0 |
1.4 |
0.776 |
1 |
0 |
0 |
0.000 |
46 |
60 |
|
[EDO]I:121 |
4 |
1 |
184 |
f |
J |
-x-1,y-1/2,-z |
2_445 |
10 |
5 |
7662 |
60.9 |
1.3 |
0.842 |
4 |
0 |
0 |
0.010 |
47 |
61 |
|
[EDO]A:120 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
7613 |
57.3 |
1.9 |
0.276 |
0 |
0 |
0 |
0.000 |
48 |
62 |
|
[EDO]E:120 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
7514 |
57.1 |
2.0 |
0.280 |
0 |
0 |
0 |
0.000 |
49 |
63 |
|
[EDO]N:125 |
4 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
8 |
2 |
7183 |
56.7 |
1.7 |
0.833 |
1 |
0 |
0 |
0.000 |
50 |
64 |
|
M |
9 |
5 |
7234 |
f |
[EDO]N:125 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
185 |
56.4 |
1.2 |
0.681 |
1 |
0 |
0 |
0.000 |
51 |
65 |
|
[EDO]N:120 |
4 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
8 |
3 |
7183 |
56.3 |
1.1 |
0.839 |
4 |
0 |
0 |
0.013 |
52 |
66 |
|
[EDO]M:120 |
3 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
10 |
5 |
7234 |
56.1 |
1.5 |
0.284 |
2 |
0 |
0 |
0.000 |
53 |
67 |
|
[EDO]I:121 |
3 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
7374 |
55.6 |
1.5 |
0.285 |
1 |
0 |
0 |
0.000 |
68 |
|
[EDO]M:121 |
3 |
1 |
183 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
7234 |
50.8 |
1.5 |
0.285 |
1 |
0 |
0 |
0.000 |
Average: |
53.2 |
1.5 |
0.285 |
1 |
0 |
0 |
0.000 |
54 |
69 |
|
E |
9 |
3 |
7222 |
f |
[EDO]B:120 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
55.4 |
1.1 |
0.851 |
4 |
0 |
0 |
0.011 |
55 |
70 |
|
[EDO]B:122 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7417 |
54.0 |
1.9 |
0.276 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
B |
2 |
2 |
7613 |
◊ |
N |
x-1,y+1,z |
1_465 |
6 |
3 |
7183 |
53.9 |
0.2 |
0.715 |
0 |
2 |
0 |
0.000 |
57 |
72 |
|
[EDO]B:125 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
7417 |
52.6 |
1.7 |
0.306 |
0 |
0 |
0 |
0.000 |
58 |
73 |
|
[EDO]N:121 |
4 |
1 |
183 |
f |
N |
x,y,z |
1_555 |
12 |
5 |
7183 |
52.5 |
1.7 |
0.296 |
1 |
0 |
0 |
0.000 |
59 |
74 |
|
E |
6 |
3 |
7222 |
◊ |
[5GP]B:200 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
511 |
52.5 |
0.4 |
0.602 |
1 |
0 |
0 |
0.000 |
75 |
|
N |
6 |
3 |
7183 |
◊ |
[5GP]I:205 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
512 |
51.2 |
0.4 |
0.590 |
1 |
0 |
0 |
0.000 |
Average: |
51.8 |
0.4 |
0.596 |
1 |
0 |
0 |
0.000 |
60 |
76 |
|
[EDO]M:121 |
4 |
1 |
183 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
7234 |
51.3 |
1.5 |
0.765 |
0 |
0 |
0 |
0.000 |
61 |
77 |
|
[EDO]N:125 |
3 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
10 |
3 |
7234 |
51.3 |
1.0 |
0.705 |
0 |
0 |
0 |
0.000 |
62 |
78 |
|
[EDO]I:121 |
4 |
1 |
184 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
9 |
4 |
7374 |
50.3 |
1.3 |
0.769 |
0 |
0 |
0 |
0.000 |
63 |
79 |
|
[EDO]B:125 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7613 |
49.9 |
1.4 |
0.835 |
1 |
0 |
0 |
0.000 |
64 |
80 |
|
[5GP]N:206 |
6 |
1 |
515 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
7514 |
49.7 |
-1.4 |
0.442 |
0 |
0 |
0 |
0.000 |
65 |
81 |
|
[EDO]N:121 |
4 |
1 |
183 |
◊ |
M |
x,y,z |
1_555 |
9 |
4 |
7234 |
49.3 |
1.3 |
0.290 |
1 |
0 |
0 |
0.000 |
66 |
82 |
|
[EDO]A:122 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7417 |
48.9 |
0.5 |
0.738 |
1 |
0 |
0 |
0.000 |
67 |
83 |
|
[EDO]I:122 |
4 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
7374 |
46.3 |
0.7 |
0.733 |
0 |
0 |
0 |
0.000 |
84 |
|
[EDO]F:120 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
7514 |
42.9 |
0.7 |
0.731 |
0 |
0 |
0 |
0.000 |
Average: |
44.6 |
0.7 |
0.732 |
0 |
0 |
0 |
0.000 |
68 |
85 |
|
[EDO]I:123 |
3 |
1 |
184 |
◊ |
[5GP]I:205 |
x,y,z |
1_555 |
6 |
1 |
512 |
45.0 |
0.2 |
0.227 |
0 |
0 |
0 |
0.000 |
69 |
86 |
|
J |
7 |
3 |
7662 |
◊ |
N |
x-1,y+1,z |
1_465 |
5 |
2 |
7183 |
44.3 |
-0.6 |
0.481 |
0 |
0 |
0 |
0.000 |
70 |
87 |
|
J |
6 |
2 |
7662 |
◊ |
[EDO]N:123 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
42.8 |
1.4 |
0.300 |
0 |
0 |
0 |
0.000 |
71 |
88 |
|
[EDO]M:120 |
3 |
1 |
185 |
◊ |
N |
x,y,z |
1_555 |
8 |
4 |
7183 |
42.2 |
1.5 |
0.264 |
0 |
0 |
0 |
0.000 |
72 |
89 |
|
[EDO]N:122 |
2 |
1 |
183 |
f |
I |
-x,y-1/2,-z |
2_545 |
6 |
2 |
7374 |
41.6 |
0.7 |
0.501 |
1 |
0 |
0 |
0.000 |
73 |
90 |
|
[EDO]N:121 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
7514 |
39.8 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
74 |
91 |
|
[EDO]A:121 |
2 |
1 |
183 |
f |
[5GP]B:200 |
x,y,z |
1_555 |
6 |
1 |
511 |
39.4 |
-0.1 |
0.444 |
1 |
0 |
0 |
0.011 |
75 |
92 |
|
[5GP]F:202 |
5 |
1 |
513 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
1 |
7417 |
39.3 |
0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
93 |
|
[5GP]M:207 |
5 |
1 |
510 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
7662 |
27.7 |
0.4 |
0.691 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
0.4 |
0.659 |
0 |
0 |
0 |
0.000 |
76 |
94 |
|
[EDO]I:123 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
4 |
1 |
7662 |
36.0 |
0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
77 |
95 |
|
[EDO]A:121 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7417 |
35.0 |
0.5 |
0.575 |
0 |
0 |
0 |
0.000 |
78 |
96 |
|
M |
5 |
1 |
7234 |
f |
[EDO]B:123 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
185 |
34.8 |
0.6 |
0.642 |
0 |
0 |
0 |
0.000 |
79 |
97 |
|
[EDO]J:121 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7613 |
33.9 |
0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
80 |
98 |
|
A |
3 |
1 |
7417 |
◊ |
N |
x-1,y,z |
1_455 |
6 |
3 |
7183 |
33.6 |
0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
81 |
99 |
|
[EDO]B:125 |
3 |
1 |
185 |
◊ |
[EDO]A:120 |
x,y,z |
1_555 |
2 |
1 |
183 |
32.4 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
82 |
100 |
|
N |
4 |
3 |
7183 |
◊ |
E |
x,y,z |
1_555 |
5 |
4 |
7222 |
32.3 |
0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
83 |
101 |
|
[5GP]J:204 |
4 |
1 |
511 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7417 |
32.2 |
0.8 |
0.755 |
1 |
0 |
0 |
0.000 |
84 |
102 |
|
[EDO]M:120 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
7222 |
32.1 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
85 |
103 |
|
[EDO]N:123 |
4 |
1 |
185 |
f |
[5GP]N:206 |
x,y,z |
1_555 |
3 |
1 |
515 |
29.8 |
1.0 |
0.765 |
1 |
0 |
0 |
0.000 |
86 |
104 |
|
[EDO]B:120 |
3 |
1 |
184 |
◊ |
[5GP]B:200 |
x,y,z |
1_555 |
3 |
1 |
511 |
29.6 |
0.8 |
0.757 |
2 |
0 |
0 |
0.000 |
87 |
105 |
|
[EDO]N:120 |
3 |
1 |
185 |
◊ |
[5GP]I:205 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
512 |
29.0 |
0.8 |
0.759 |
1 |
0 |
0 |
0.000 |
88 |
106 |
|
[EDO]B:125 |
3 |
1 |
185 |
f |
[EDO]A:121 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.8 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
89 |
107 |
|
[5GP]A:201 |
3 |
1 |
513 |
◊ |
J |
x,y,z |
1_555 |
5 |
1 |
7662 |
26.8 |
0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
90 |
108 |
|
N |
2 |
1 |
7183 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
7234 |
26.3 |
0.8 |
0.883 |
0 |
0 |
0 |
0.000 |
91 |
109 |
|
[EDO]J:121 |
2 |
1 |
185 |
◊ |
N |
x-1,y+1,z |
1_465 |
3 |
1 |
7183 |
25.5 |
1.0 |
0.898 |
0 |
0 |
0 |
0.000 |
92 |
110 |
|
[EDO]M:120 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
7514 |
24.7 |
0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
93 |
111 |
|
[EDO]N:121 |
2 |
1 |
183 |
f |
[5GP]N:206 |
x,y,z |
1_555 |
3 |
1 |
515 |
21.6 |
-0.9 |
0.556 |
1 |
0 |
0 |
0.028 |
94 |
112 |
|
[5GP]I:205 |
5 |
1 |
512 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
7662 |
18.6 |
-0.9 |
0.327 |
0 |
0 |
0 |
0.037 |
113 |
|
[5GP]N:206 |
4 |
1 |
515 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
7234 |
14.6 |
-1.0 |
0.264 |
0 |
0 |
0 |
0.037 |
114 |
|
[5GP]E:203 |
2 |
1 |
512 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7514 |
13.6 |
-0.9 |
0.255 |
0 |
0 |
0 |
0.037 |
115 |
|
[5GP]F:202 |
3 |
1 |
513 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7222 |
13.4 |
-0.9 |
0.295 |
0 |
0 |
0 |
0.037 |
116 |
|
[5GP]M:207 |
3 |
1 |
510 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
7183 |
13.2 |
-0.9 |
0.287 |
0 |
0 |
0 |
0.037 |
117 |
|
[5GP]J:204 |
2 |
1 |
511 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
7374 |
12.7 |
-0.9 |
0.270 |
0 |
0 |
0 |
0.037 |
118 |
|
[5GP]A:201 |
3 |
1 |
513 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7613 |
12.6 |
-0.9 |
0.308 |
0 |
0 |
0 |
0.037 |
119 |
|
[5GP]B:200 |
3 |
1 |
511 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7417 |
11.4 |
-0.7 |
0.308 |
0 |
0 |
0 |
0.037 |
Average: |
13.7 |
-0.9 |
0.289 |
0 |
0 |
0 |
0.037 |
95 |
120 |
|
[EDO]N:121 |
2 |
1 |
183 |
◊ |
[EDO]M:120 |
x,y,z |
1_555 |
2 |
1 |
185 |
18.4 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
96 |
121 |
|
[EDO]J:121 |
2 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
7374 |
18.1 |
-0.0 |
0.381 |
0 |
0 |
0 |
0.000 |
97 |
122 |
|
[EDO]B:124 |
2 |
1 |
184 |
f |
[EDO]N:124 |
x-1,y,z |
1_455 |
1 |
1 |
183 |
17.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
98 |
123 |
|
J |
2 |
1 |
7662 |
◊ |
E |
x-1,y+1,z |
1_465 |
2 |
1 |
7222 |
17.1 |
0.8 |
0.873 |
0 |
0 |
0 |
0.000 |
99 |
124 |
|
[5GP]J:204 |
3 |
1 |
511 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7613 |
14.6 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
100 |
125 |
|
E |
2 |
2 |
7222 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
3 |
2 |
7374 |
14.5 |
0.3 |
0.744 |
0 |
0 |
0 |
0.000 |
126 |
|
N |
2 |
2 |
7183 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
7613 |
13.2 |
0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
127 |
|
M |
4 |
2 |
7234 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
7417 |
11.9 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
128 |
|
F |
3 |
2 |
7514 |
◊ |
J |
-x-1,y-1/2,-z |
2_445 |
2 |
2 |
7662 |
7.0 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
Average: |
11.6 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
101 |
129 |
|
J |
2 |
1 |
7662 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
7374 |
12.0 |
0.7 |
0.900 |
0 |
0 |
0 |
0.000 |
102 |
130 |
|
F |
1 |
1 |
7514 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7234 |
11.6 |
0.6 |
0.873 |
0 |
0 |
0 |
0.000 |
103 |
131 |
|
F |
3 |
1 |
7514 |
x |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7514 |
8.9 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
104 |
132 |
|
[EDO]F:120 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
7417 |
8.6 |
0.2 |
0.856 |
0 |
0 |
0 |
0.000 |
105 |
133 |
|
[EDO]B:125 |
2 |
1 |
185 |
f |
[5GP]B:200 |
x,y,z |
1_555 |
2 |
1 |
511 |
7.2 |
-0.3 |
0.616 |
0 |
0 |
0 |
0.006 |
106 |
134 |
|
F |
1 |
1 |
7514 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
7417 |
6.8 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
107 |
135 |
|
[EDO]B:121 |
1 |
1 |
184 |
◊ |
N |
x-1,y,z |
1_455 |
1 |
1 |
7183 |
5.5 |
0.2 |
0.892 |
0 |
0 |
0 |
0.000 |
108 |
136 |
|
B |
2 |
2 |
7613 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
7613 |
5.0 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
109 |
137 |
|
[EDO]B:122 |
1 |
1 |
183 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
7662 |
4.9 |
0.2 |
0.926 |
0 |
0 |
0 |
0.000 |
110 |
138 |
|
B |
1 |
1 |
7613 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
7374 |
2.2 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
111 |
139 |
|
[5GP]A:201 |
1 |
1 |
513 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
7374 |
1.6 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.000 |
112 |
140 |
|
E |
1 |
1 |
7222 |
f |
[EDO]B:121 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
184 |
0.4 |
0.0 |
0.826 |
0 |
0 |
0 |
0.000 |
|