## |
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 |
|
A |
81 |
23 |
6746 |
◊ |
D |
x-1/2,-y+1/2,-z+1/2 |
6_455 |
83 |
24 |
6686 |
672.1 |
-5.8 |
0.328 |
9 |
0 |
0 |
0.130 |
2 |
2 |
|
D |
69 |
22 |
6686 |
◊ |
C |
x,y,z |
1_555 |
62 |
19 |
6788 |
623.7 |
-0.5 |
0.648 |
17 |
0 |
0 |
0.000 |
3 |
|
C |
69 |
22 |
6788 |
◊ |
B |
x,y,z |
1_555 |
63 |
20 |
6735 |
622.8 |
-0.5 |
0.668 |
18 |
0 |
0 |
0.000 |
4 |
|
F |
68 |
21 |
6718 |
◊ |
E |
x,y,z |
1_555 |
58 |
19 |
6488 |
613.2 |
-0.6 |
0.659 |
17 |
0 |
0 |
0.000 |
5 |
|
B |
68 |
22 |
6735 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
6746 |
607.4 |
-0.8 |
0.618 |
17 |
0 |
0 |
0.000 |
6 |
|
G |
58 |
19 |
6658 |
◊ |
A |
x,y,z |
1_555 |
67 |
22 |
6746 |
603.8 |
-0.9 |
0.609 |
17 |
0 |
0 |
0.000 |
7 |
|
G |
68 |
22 |
6658 |
◊ |
F |
x,y,z |
1_555 |
60 |
20 |
6718 |
599.0 |
-1.1 |
0.588 |
17 |
0 |
0 |
0.000 |
8 |
|
E |
66 |
23 |
6488 |
◊ |
D |
x,y,z |
1_555 |
58 |
19 |
6686 |
598.5 |
-0.9 |
0.622 |
17 |
0 |
0 |
0.000 |
Average: |
609.8 |
-0.8 |
0.631 |
17 |
0 |
0 |
0.000 |
3 |
9 |
|
B |
59 |
21 |
6735 |
◊ |
F |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
60 |
22 |
6718 |
536.5 |
-5.5 |
0.273 |
6 |
0 |
0 |
0.000 |
4 |
10 |
|
E |
22 |
10 |
6488 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
22 |
10 |
6488 |
200.4 |
-3.3 |
0.212 |
0 |
0 |
0 |
0.000 |
5 |
11 |
|
F |
17 |
5 |
6718 |
◊ |
D |
y,x,-z+1 |
7_556 |
18 |
5 |
6686 |
143.6 |
0.6 |
0.712 |
2 |
0 |
0 |
0.000 |
12 |
|
B |
19 |
5 |
6735 |
◊ |
A |
y,x,-z+1 |
7_556 |
16 |
5 |
6746 |
133.8 |
0.4 |
0.655 |
1 |
0 |
0 |
0.000 |
13 |
|
G |
16 |
5 |
6658 |
◊ |
C |
y,x,-z+1 |
7_556 |
16 |
5 |
6788 |
115.3 |
0.8 |
0.748 |
1 |
0 |
0 |
0.000 |
14 |
|
E |
12 |
5 |
6488 |
◊ |
E |
y,x,-z+1 |
7_556 |
12 |
5 |
6488 |
92.2 |
0.9 |
0.785 |
0 |
0 |
0 |
0.000 |
Average: |
121.2 |
0.7 |
0.725 |
1 |
0 |
0 |
0.000 |
6 |
15 |
|
[MAN]H:6 |
10 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
6735 |
137.1 |
2.2 |
0.318 |
7 |
0 |
0 |
0.000 |
16 |
|
[MAN]J:6 |
10 |
1 |
289 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
6718 |
135.8 |
1.9 |
0.300 |
5 |
0 |
0 |
0.000 |
Average: |
136.5 |
2.0 |
0.309 |
6 |
0 |
0 |
0.000 |
7 |
17 |
|
[MAN]I:6 |
10 |
1 |
289 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
6788 |
136.3 |
2.1 |
0.295 |
8 |
0 |
0 |
0.000 |
8 |
18 |
|
[MAN]I:4 |
9 |
1 |
289 |
◊ |
G |
y,x,-z+1 |
7_556 |
20 |
8 |
6658 |
133.8 |
2.2 |
0.364 |
8 |
0 |
0 |
0.000 |
19 |
|
[MAN]E:301 |
10 |
1 |
299 |
◊ |
E |
x,y,z |
1_555 |
21 |
9 |
6488 |
132.3 |
1.9 |
0.366 |
9 |
0 |
0 |
0.000 |
Average: |
133.1 |
2.1 |
0.365 |
9 |
0 |
0 |
0.000 |
9 |
20 |
|
[MAN]H:4 |
9 |
1 |
290 |
◊ |
A |
y,x,-z+1 |
7_556 |
21 |
9 |
6746 |
129.3 |
2.1 |
0.355 |
8 |
0 |
0 |
0.000 |
21 |
|
[MAN]J:4 |
9 |
1 |
288 |
◊ |
D |
y,x,-z+1 |
7_556 |
23 |
9 |
6686 |
126.4 |
2.0 |
0.369 |
6 |
0 |
0 |
0.000 |
Average: |
127.8 |
2.1 |
0.362 |
7 |
0 |
0 |
0.000 |
10 |
22 |
|
[MAN]I:2 |
9 |
1 |
288 |
◊ |
G |
y,x,-z+1 |
7_556 |
17 |
7 |
6658 |
118.3 |
2.7 |
0.424 |
3 |
0 |
0 |
0.000 |
23 |
|
[MAN]H:2 |
9 |
1 |
289 |
◊ |
A |
y,x,-z+1 |
7_556 |
17 |
6 |
6746 |
117.9 |
2.7 |
0.398 |
6 |
0 |
0 |
0.000 |
24 |
|
[MAN]J:2 |
9 |
1 |
290 |
◊ |
D |
y,x,-z+1 |
7_556 |
16 |
6 |
6686 |
116.2 |
2.7 |
0.407 |
5 |
0 |
0 |
0.000 |
Average: |
117.5 |
2.7 |
0.410 |
5 |
0 |
0 |
0.000 |
11 |
25 |
|
[EDO]F:203 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
17 |
7 |
6658 |
104.3 |
2.4 |
0.417 |
1 |
0 |
0 |
0.000 |
12 |
26 |
|
[EDO]B:203 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
6735 |
99.5 |
4.0 |
0.555 |
3 |
0 |
0 |
0.000 |
13 |
27 |
|
[EDO]F:202 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
16 |
7 |
6718 |
90.5 |
3.0 |
0.518 |
3 |
0 |
0 |
0.000 |
14 |
28 |
|
[EDO]C:301 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
6788 |
90.3 |
2.2 |
0.284 |
2 |
0 |
0 |
0.000 |
15 |
29 |
|
[EDO]B:206 |
4 |
1 |
185 |
◊ |
F |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
13 |
8 |
6718 |
89.0 |
2.2 |
0.248 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
[EDO]B:207 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
6735 |
87.8 |
3.0 |
0.480 |
1 |
0 |
0 |
0.000 |
17 |
31 |
|
[EDO]G:301 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
13 |
7 |
6658 |
87.6 |
1.5 |
0.217 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
[EDO]B:202 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
6735 |
85.5 |
3.0 |
0.492 |
2 |
0 |
0 |
0.000 |
19 |
33 |
|
[EDO]B:205 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
6735 |
85.3 |
1.2 |
0.205 |
1 |
0 |
0 |
0.000 |
20 |
34 |
|
[EDO]B:201 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
6746 |
82.6 |
2.3 |
0.259 |
2 |
0 |
0 |
0.000 |
21 |
35 |
|
[EDO]C:302 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
6788 |
82.4 |
2.4 |
0.265 |
2 |
0 |
0 |
0.000 |
22 |
36 |
|
[EDO]B:204 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
6735 |
81.9 |
0.6 |
0.474 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
[EDO]A:201 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
6658 |
81.9 |
2.1 |
0.259 |
2 |
0 |
0 |
0.000 |
24 |
38 |
|
[EDO]G:302 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
6718 |
81.2 |
2.0 |
0.260 |
2 |
0 |
0 |
0.000 |
25 |
39 |
|
[EDO]F:201 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
6488 |
74.3 |
1.5 |
0.720 |
2 |
0 |
0 |
0.000 |
26 |
40 |
|
[MAN]J:5 |
7 |
1 |
292 |
cf |
[MAN]J:1 |
x,y,z |
1_555 |
5 |
1 |
301 |
63.0 |
2.3 |
0.239 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[MAN]H:5 |
7 |
1 |
290 |
cf |
[MAN]H:1 |
x,y,z |
1_555 |
7 |
1 |
299 |
61.0 |
2.6 |
0.202 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[MAN]H:4 |
6 |
1 |
290 |
cf |
[MAN]H:3 |
x,y,z |
1_555 |
5 |
1 |
290 |
60.0 |
2.9 |
0.332 |
0 |
0 |
0 |
0.000 |
43 |
|
[MAN]I:4 |
6 |
1 |
289 |
cf |
[MAN]I:3 |
x,y,z |
1_555 |
4 |
1 |
290 |
59.9 |
2.9 |
0.347 |
0 |
0 |
0 |
0.000 |
44 |
|
[MAN]J:4 |
6 |
1 |
288 |
cf |
[MAN]J:3 |
x,y,z |
1_555 |
4 |
1 |
289 |
58.2 |
2.8 |
0.355 |
0 |
0 |
0 |
0.000 |
Average: |
59.4 |
2.9 |
0.344 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[EDO]B:206 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6735 |
59.3 |
1.5 |
0.841 |
1 |
0 |
0 |
0.000 |
30 |
46 |
|
[MAN]J:3 |
6 |
1 |
289 |
cf |
[MAN]J:2 |
x,y,z |
1_555 |
5 |
1 |
290 |
58.8 |
2.7 |
0.331 |
0 |
0 |
0 |
0.000 |
47 |
|
[MAN]H:3 |
6 |
1 |
290 |
cf |
[MAN]H:2 |
x,y,z |
1_555 |
5 |
1 |
289 |
58.2 |
2.7 |
0.331 |
0 |
0 |
0 |
0.000 |
48 |
|
[MAN]I:3 |
6 |
1 |
290 |
cf |
[MAN]I:2 |
x,y,z |
1_555 |
5 |
1 |
288 |
58.0 |
2.7 |
0.321 |
0 |
0 |
0 |
0.000 |
Average: |
58.3 |
2.7 |
0.328 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
[MAN]J:2 |
6 |
1 |
290 |
cf |
[MAN]J:1 |
x,y,z |
1_555 |
5 |
1 |
301 |
58.6 |
2.6 |
0.344 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[MAN]H:6 |
6 |
1 |
291 |
cf |
[MAN]H:5 |
x,y,z |
1_555 |
5 |
1 |
290 |
58.3 |
2.4 |
0.257 |
0 |
0 |
0 |
0.000 |
51 |
|
[MAN]J:6 |
6 |
1 |
289 |
cf |
[MAN]J:5 |
x,y,z |
1_555 |
4 |
1 |
292 |
57.6 |
2.4 |
0.320 |
0 |
0 |
0 |
0.000 |
Average: |
58.0 |
2.4 |
0.289 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
[MAN]I:5 |
7 |
1 |
289 |
cf |
[MAN]I:1 |
x,y,z |
1_555 |
7 |
1 |
298 |
58.1 |
2.6 |
0.201 |
0 |
0 |
0 |
0.000 |
34 |
53 |
|
[MAN]I:2 |
6 |
1 |
288 |
cf |
[MAN]I:1 |
x,y,z |
1_555 |
5 |
1 |
298 |
57.6 |
2.6 |
0.313 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
[MAN]H:2 |
6 |
1 |
289 |
cf |
[MAN]H:1 |
x,y,z |
1_555 |
5 |
1 |
299 |
57.5 |
2.5 |
0.319 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
[EDO]F:201 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
8 |
5 |
6718 |
56.9 |
2.1 |
0.906 |
1 |
0 |
0 |
0.000 |
37 |
56 |
|
[MAN]I:6 |
6 |
1 |
289 |
cf |
[MAN]I:5 |
x,y,z |
1_555 |
5 |
1 |
289 |
56.8 |
2.3 |
0.226 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
[EDO]G:302 |
3 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
6658 |
52.1 |
2.0 |
0.325 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
[EDO]B:201 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
6735 |
51.9 |
1.8 |
0.895 |
1 |
0 |
0 |
0.000 |
40 |
59 |
|
[EDO]A:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6746 |
51.2 |
1.9 |
0.892 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
[MAN]H:3 |
5 |
1 |
290 |
◊ |
A |
y,x,-z+1 |
7_556 |
6 |
4 |
6746 |
47.5 |
2.0 |
0.540 |
0 |
0 |
0 |
0.000 |
61 |
|
[MAN]J:3 |
5 |
1 |
289 |
◊ |
D |
y,x,-z+1 |
7_556 |
6 |
4 |
6686 |
41.6 |
1.8 |
0.524 |
0 |
0 |
0 |
0.000 |
Average: |
44.6 |
1.9 |
0.532 |
0 |
0 |
0 |
0.000 |
42 |
62 |
|
[EDO]C:301 |
3 |
1 |
186 |
f |
[MAN]I:1 |
x,y,z |
1_555 |
7 |
1 |
298 |
47.5 |
1.7 |
0.276 |
1 |
0 |
0 |
0.000 |
43 |
63 |
|
[EDO]B:207 |
3 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6788 |
47.5 |
1.6 |
0.891 |
1 |
0 |
0 |
0.000 |
44 |
64 |
|
[EDO]C:302 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
6686 |
47.2 |
1.4 |
0.908 |
2 |
0 |
0 |
0.000 |
45 |
65 |
|
[MAN]J:4 |
5 |
1 |
288 |
◊ |
A |
-y+1/2,x+1/2,z+1/2 |
3_555 |
5 |
2 |
6746 |
47.0 |
1.0 |
0.397 |
0 |
0 |
0 |
0.000 |
66 |
|
[MAN]H:4 |
4 |
1 |
290 |
◊ |
D |
-y+1/2,x-1/2,z+1/2 |
3_545 |
4 |
2 |
6686 |
36.3 |
1.1 |
0.493 |
0 |
0 |
0 |
0.000 |
Average: |
41.6 |
1.1 |
0.445 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[EDO]B:203 |
2 |
1 |
189 |
f |
F |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
6 |
3 |
6718 |
46.5 |
1.1 |
0.821 |
1 |
0 |
0 |
0.000 |
47 |
68 |
|
[MAN]J:1 |
5 |
1 |
301 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
6718 |
46.2 |
0.9 |
0.392 |
0 |
0 |
0 |
0.000 |
48 |
69 |
|
[EDO]F:202 |
4 |
1 |
185 |
◊ |
[MAN]J:1 |
x,y,z |
1_555 |
6 |
1 |
301 |
45.5 |
1.4 |
0.341 |
0 |
0 |
0 |
0.000 |
49 |
70 |
|
[MAN]E:301 |
5 |
1 |
299 |
f |
E |
-x+1,-y+1,z |
2_665 |
7 |
3 |
6488 |
44.3 |
0.9 |
0.416 |
0 |
0 |
0 |
0.000 |
50 |
71 |
|
[MAN]I:3 |
5 |
1 |
290 |
◊ |
G |
y,x,-z+1 |
7_556 |
6 |
4 |
6658 |
44.0 |
2.0 |
0.543 |
0 |
0 |
0 |
0.000 |
51 |
72 |
|
[MAN]J:5 |
7 |
1 |
292 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
6718 |
43.1 |
1.4 |
0.362 |
1 |
0 |
0 |
0.000 |
73 |
|
[MAN]H:5 |
7 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6735 |
38.2 |
1.2 |
0.341 |
1 |
0 |
0 |
0.000 |
Average: |
40.7 |
1.3 |
0.352 |
1 |
0 |
0 |
0.000 |
52 |
74 |
|
[MAN]I:1 |
6 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
6788 |
41.5 |
0.5 |
0.280 |
1 |
0 |
0 |
0.000 |
53 |
75 |
|
[MAN]E:301 |
5 |
1 |
299 |
◊ |
[MAN]E:301 |
-x+1,-y+1,z |
2_665 |
5 |
1 |
299 |
41.4 |
1.9 |
0.322 |
0 |
0 |
0 |
0.000 |
54 |
76 |
|
[EDO]B:202 |
3 |
1 |
184 |
◊ |
[MAN]H:1 |
x,y,z |
1_555 |
6 |
1 |
299 |
41.1 |
1.0 |
0.264 |
2 |
0 |
0 |
0.000 |
55 |
77 |
|
[MAN]H:6 |
5 |
1 |
291 |
◊ |
F |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
6 |
2 |
6718 |
37.6 |
1.0 |
0.344 |
0 |
0 |
0 |
0.000 |
78 |
|
B |
5 |
2 |
6735 |
◊ |
[MAN]J:6 |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
4 |
1 |
289 |
32.6 |
0.9 |
0.413 |
0 |
0 |
0 |
0.000 |
Average: |
35.1 |
0.9 |
0.378 |
0 |
0 |
0 |
0.000 |
56 |
79 |
|
[MAN]J:1 |
4 |
1 |
301 |
◊ |
D |
y,x,-z+1 |
7_556 |
5 |
2 |
6686 |
36.5 |
0.8 |
0.447 |
0 |
0 |
0 |
0.000 |
57 |
80 |
|
[MAN]I:5 |
6 |
1 |
289 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
6788 |
35.8 |
1.4 |
0.367 |
0 |
0 |
0 |
0.000 |
58 |
81 |
|
[MAN]I:1 |
4 |
1 |
298 |
◊ |
G |
y,x,-z+1 |
7_556 |
5 |
2 |
6658 |
34.6 |
0.8 |
0.455 |
1 |
0 |
0 |
0.000 |
59 |
82 |
|
[MAN]H:1 |
3 |
1 |
299 |
◊ |
A |
y,x,-z+1 |
7_556 |
4 |
2 |
6746 |
34.4 |
0.8 |
0.474 |
0 |
0 |
0 |
0.000 |
60 |
83 |
|
[EDO]F:203 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
6718 |
34.3 |
0.5 |
0.450 |
0 |
0 |
0 |
0.000 |
61 |
84 |
|
[MAN]H:4 |
5 |
1 |
290 |
f |
[MAN]H:2 |
x,y,z |
1_555 |
5 |
1 |
289 |
34.3 |
1.5 |
0.191 |
0 |
0 |
0 |
0.000 |
85 |
|
[MAN]J:4 |
5 |
1 |
288 |
f |
[MAN]J:2 |
x,y,z |
1_555 |
5 |
1 |
290 |
33.9 |
1.5 |
0.202 |
0 |
0 |
0 |
0.000 |
86 |
|
[MAN]I:4 |
4 |
1 |
289 |
f |
[MAN]I:2 |
x,y,z |
1_555 |
4 |
1 |
288 |
32.4 |
1.5 |
0.262 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
1.5 |
0.218 |
0 |
0 |
0 |
0.000 |
62 |
87 |
|
[MAN]H:1 |
3 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6735 |
33.6 |
0.5 |
0.439 |
0 |
0 |
0 |
0.000 |
63 |
88 |
|
[MAN]I:3 |
4 |
1 |
290 |
f |
[MAN]I:1 |
x,y,z |
1_555 |
3 |
1 |
298 |
26.8 |
0.7 |
0.174 |
0 |
0 |
0 |
0.000 |
64 |
89 |
|
[MAN]H:3 |
4 |
1 |
290 |
f |
[MAN]H:1 |
x,y,z |
1_555 |
3 |
1 |
299 |
26.0 |
0.8 |
0.188 |
0 |
0 |
0 |
0.000 |
65 |
90 |
|
[EDO]C:301 |
3 |
1 |
186 |
f |
[MAN]I:5 |
x,y,z |
1_555 |
3 |
1 |
289 |
23.3 |
1.1 |
0.556 |
0 |
0 |
0 |
0.000 |
66 |
91 |
|
[MAN]J:3 |
4 |
1 |
289 |
f |
[MAN]J:1 |
x,y,z |
1_555 |
3 |
1 |
301 |
23.0 |
0.7 |
0.201 |
0 |
0 |
0 |
0.000 |
67 |
92 |
|
[MAN]J:3 |
3 |
1 |
289 |
◊ |
A |
-y+1/2,x+1/2,z+1/2 |
3_555 |
3 |
1 |
6746 |
21.8 |
0.6 |
0.444 |
0 |
0 |
0 |
0.000 |
93 |
|
[MAN]H:3 |
3 |
1 |
290 |
◊ |
D |
-y+1/2,x-1/2,z+1/2 |
3_545 |
3 |
1 |
6686 |
20.6 |
0.5 |
0.443 |
0 |
0 |
0 |
0.000 |
Average: |
21.2 |
0.5 |
0.443 |
0 |
0 |
0 |
0.000 |
68 |
94 |
|
[EDO]G:302 |
2 |
1 |
186 |
f |
[EDO]F:203 |
x,y,z |
1_555 |
1 |
1 |
184 |
21.4 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
69 |
95 |
|
[MAN]J:6 |
4 |
1 |
289 |
f |
[MAN]J:1 |
x,y,z |
1_555 |
1 |
1 |
301 |
14.3 |
0.5 |
0.200 |
0 |
0 |
0 |
0.000 |
96 |
|
[MAN]I:6 |
3 |
1 |
289 |
f |
[MAN]I:1 |
x,y,z |
1_555 |
1 |
1 |
298 |
10.9 |
0.4 |
0.203 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
0.5 |
0.202 |
0 |
0 |
0 |
0.000 |
70 |
97 |
|
[EDO]C:301 |
2 |
1 |
186 |
f |
[MAN]I:6 |
x,y,z |
1_555 |
3 |
1 |
289 |
13.8 |
0.6 |
0.528 |
0 |
0 |
0 |
0.000 |
71 |
98 |
|
[MAN]H:6 |
4 |
1 |
291 |
f |
[MAN]H:1 |
x,y,z |
1_555 |
1 |
1 |
299 |
12.9 |
0.5 |
0.163 |
0 |
0 |
0 |
0.000 |
72 |
99 |
|
[EDO]B:202 |
1 |
1 |
184 |
◊ |
[MAN]H:5 |
x,y,z |
1_555 |
1 |
1 |
290 |
12.6 |
0.6 |
0.739 |
0 |
0 |
0 |
0.000 |
73 |
100 |
|
[EDO]F:202 |
3 |
1 |
185 |
◊ |
[MAN]J:5 |
x,y,z |
1_555 |
4 |
1 |
292 |
12.5 |
0.6 |
0.417 |
0 |
0 |
0 |
0.000 |
74 |
101 |
|
[EDO]B:205 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
6788 |
10.4 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
75 |
102 |
|
[EDO]F:202 |
2 |
1 |
185 |
◊ |
[MAN]J:6 |
x,y,z |
1_555 |
1 |
1 |
289 |
8.9 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
76 |
103 |
|
B |
1 |
1 |
6735 |
◊ |
[MAN]J:5 |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
1 |
1 |
292 |
6.2 |
-0.0 |
0.383 |
0 |
0 |
0 |
0.000 |
104 |
|
[MAN]H:5 |
1 |
1 |
290 |
◊ |
F |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
2 |
1 |
6718 |
2.1 |
-0.0 |
0.336 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
-0.0 |
0.359 |
0 |
0 |
0 |
0.000 |
77 |
105 |
|
[EDO]G:301 |
1 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
6746 |
5.9 |
0.2 |
0.817 |
0 |
0 |
0 |
0.000 |
78 |
106 |
|
[EDO]B:202 |
2 |
1 |
184 |
◊ |
[MAN]H:6 |
x,y,z |
1_555 |
1 |
1 |
291 |
3.4 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
79 |
107 |
|
[EDO]B:202 |
1 |
1 |
184 |
f |
A |
y,x,-z+1 |
7_556 |
2 |
2 |
6746 |
3.4 |
0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
80 |
108 |
|
[EDO]B:205 |
1 |
1 |
183 |
f |
[EDO]B:204 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
81 |
109 |
|
[EDO]F:202 |
1 |
1 |
185 |
f |
D |
y,x,-z+1 |
7_556 |
2 |
2 |
6686 |
1.7 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
|