## |
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 |
329 |
87 |
29814 |
◊ |
B |
-x+1,y,-z |
2_655 |
327 |
88 |
29814 |
3107.7 |
-28.3 |
0.062 |
44 |
4 |
0 |
0.000 |
2 |
|
A |
314 |
84 |
29763 |
◊ |
A |
-x+1,y,-z |
2_655 |
315 |
84 |
29763 |
2977.1 |
-29.5 |
0.044 |
44 |
6 |
0 |
0.000 |
Average: |
3042.4 |
-28.9 |
0.053 |
44 |
5 |
0 |
0.000 |
2 |
3 |
|
B |
127 |
36 |
29814 |
◊ |
A |
-x+1,y,-z |
2_655 |
134 |
38 |
29763 |
1291.1 |
-10.2 |
0.212 |
22 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
96 |
29 |
29814 |
◊ |
A |
x,y,z |
1_555 |
105 |
28 |
29763 |
965.2 |
-6.6 |
0.327 |
10 |
2 |
0 |
0.000 |
4 |
5 |
|
A |
44 |
14 |
29763 |
◊ |
B |
x,y-1,z |
1_545 |
42 |
14 |
29814 |
363.8 |
-3.6 |
0.307 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
23 |
12 |
29763 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
23 |
12 |
29763 |
187.3 |
0.4 |
0.727 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
17 |
6 |
29814 |
◊ |
B |
-x,y,-z |
2_555 |
17 |
6 |
29814 |
155.3 |
-2.2 |
0.242 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[GOL]B:1715 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
29814 |
129.2 |
-0.9 |
0.455 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[EOH]B:1713 |
3 |
1 |
173 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
29814 |
117.5 |
3.9 |
0.432 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[EOH]B:1705 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
29814 |
116.1 |
5.0 |
0.540 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[EOH]A:1696 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
29763 |
109.6 |
4.4 |
0.604 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EOH]A:1720 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
29763 |
107.6 |
4.2 |
0.435 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[EOH]B:1704 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
16 |
11 |
29814 |
105.9 |
4.5 |
0.603 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[EOH]B:1698 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
29814 |
104.0 |
3.3 |
0.266 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[EOH]A:1700 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29763 |
102.7 |
3.3 |
0.293 |
3 |
0 |
0 |
0.000 |
15 |
16 |
|
[EOH]B:1709 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
29814 |
100.7 |
4.0 |
0.342 |
4 |
0 |
0 |
0.000 |
16 |
17 |
|
[EOH]B:1703 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
29814 |
98.7 |
4.0 |
0.472 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[EOH]A:1712 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
29763 |
98.5 |
6.3 |
0.775 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EOH]A:1695 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
29763 |
98.2 |
4.3 |
0.525 |
3 |
0 |
0 |
0.000 |
19 |
20 |
|
[EOH]B:1697 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
29814 |
97.9 |
3.4 |
0.288 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[EOH]B:1690 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
29814 |
95.4 |
3.4 |
0.293 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[EOH]A:1711 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
29763 |
92.1 |
2.9 |
0.258 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[EOH]A:1725 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
29763 |
92.0 |
3.3 |
0.170 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[EOH]A:1705 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
29763 |
91.9 |
2.0 |
0.180 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EOH]A:1698 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
29763 |
90.7 |
3.5 |
0.318 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
[EOH]B:1700 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
29814 |
90.2 |
3.5 |
0.451 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EOH]A:1701 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
29763 |
87.8 |
2.9 |
0.305 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[EOH]B:1702 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
29814 |
87.3 |
2.9 |
0.258 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[EOH]A:1689 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
29763 |
87.2 |
3.0 |
0.483 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[EOH]B:1696 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
29814 |
86.0 |
2.8 |
0.286 |
1 |
0 |
0 |
0.000 |
30 |
31 |
|
[EOH]A:1717 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
29763 |
85.7 |
2.3 |
0.151 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[EOH]B:1706 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
29814 |
85.5 |
2.3 |
0.144 |
2 |
0 |
0 |
0.000 |
32 |
33 |
|
[EOH]A:1722 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
29763 |
84.8 |
2.7 |
0.281 |
2 |
0 |
0 |
0.000 |
33 |
34 |
|
B |
6 |
3 |
29814 |
x |
B |
x-1,y,z |
1_455 |
13 |
4 |
29814 |
83.4 |
-2.2 |
0.097 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
A |
11 |
5 |
29763 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
11 |
5 |
29763 |
83.3 |
-1.0 |
0.385 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
B |
11 |
6 |
29814 |
◊ |
B |
-x+2,y,-z |
2_755 |
11 |
6 |
29814 |
82.5 |
-2.1 |
0.164 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[EOH]A:1707 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
29763 |
81.8 |
2.8 |
0.171 |
2 |
0 |
0 |
0.000 |
37 |
38 |
|
[EOH]A:1697 |
3 |
1 |
173 |
f |
A |
-x+1,y,-z |
2_655 |
14 |
6 |
29763 |
81.7 |
2.2 |
0.242 |
1 |
0 |
0 |
0.000 |
38 |
39 |
|
[EOH]A:1706 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
29763 |
80.7 |
3.4 |
0.330 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[EOH]A:1726 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
29763 |
80.3 |
2.3 |
0.156 |
1 |
0 |
0 |
0.000 |
40 |
41 |
|
[EOH]A:1710 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
29763 |
77.7 |
2.7 |
0.160 |
2 |
0 |
0 |
0.000 |
41 |
42 |
|
[EOH]A:1704 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29763 |
77.0 |
1.6 |
0.112 |
4 |
0 |
0 |
0.000 |
42 |
43 |
|
[EOH]A:1719 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
29763 |
75.5 |
3.0 |
0.173 |
1 |
0 |
0 |
0.000 |
43 |
44 |
|
[GOL]B:1714 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
29814 |
74.3 |
0.9 |
0.773 |
3 |
0 |
0 |
0.000 |
44 |
45 |
|
[EOH]A:1709 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
29763 |
74.0 |
2.2 |
0.000 |
1 |
0 |
0 |
0.000 |
45 |
46 |
|
[EOH]B:1691 |
3 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
29814 |
74.0 |
2.3 |
0.159 |
3 |
0 |
0 |
0.000 |
46 |
47 |
|
[EOH]A:1714 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
29763 |
72.3 |
2.4 |
0.000 |
3 |
0 |
0 |
0.000 |
47 |
48 |
|
[EOH]A:1702 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
29763 |
71.7 |
1.7 |
0.000 |
1 |
0 |
0 |
0.000 |
48 |
49 |
|
[EOH]A:1694 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
29763 |
70.2 |
2.0 |
0.138 |
1 |
0 |
0 |
0.000 |
49 |
50 |
|
[NA]A:1687 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
29763 |
69.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[NA]B:1687 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
29814 |
65.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
67.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[EOH]B:1693 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
29814 |
69.4 |
2.2 |
0.000 |
1 |
0 |
0 |
0.000 |
51 |
53 |
|
[EOH]A:1721 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
29763 |
69.2 |
2.0 |
0.122 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[EOH]B:1802 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
29814 |
69.2 |
1.7 |
0.127 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
[EOH]B:1708 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
29814 |
69.1 |
2.3 |
0.153 |
1 |
0 |
0 |
0.000 |
54 |
56 |
|
[EOH]A:1691 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
29763 |
68.8 |
2.4 |
0.285 |
1 |
0 |
0 |
0.000 |
55 |
57 |
|
[EOH]A:1723 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
29763 |
67.1 |
2.3 |
0.000 |
2 |
0 |
0 |
0.000 |
56 |
58 |
|
[EOH]A:1718 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
29763 |
67.0 |
1.5 |
0.000 |
2 |
0 |
0 |
0.000 |
57 |
59 |
|
[NA]B:1688 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
29814 |
66.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[NA]A:1688 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
29763 |
66.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
66.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[EOH]A:1716 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
29763 |
66.1 |
1.4 |
0.000 |
1 |
0 |
0 |
0.000 |
59 |
62 |
|
[EOH]B:1699 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
29814 |
64.8 |
2.4 |
0.000 |
1 |
0 |
0 |
0.000 |
60 |
63 |
|
[EOH]B:1689 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
29814 |
63.1 |
2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
[EOH]A:1690 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
29763 |
62.3 |
1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
[EOH]A:1710 |
3 |
1 |
171 |
f |
A |
-x+2,y,-z+1 |
2_756 |
10 |
3 |
29763 |
62.0 |
1.9 |
0.131 |
1 |
0 |
0 |
0.000 |
63 |
66 |
|
[EOH]A:1715 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
29763 |
61.4 |
2.0 |
0.000 |
1 |
0 |
0 |
0.000 |
64 |
67 |
|
[EOH]A:1724 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
29763 |
59.4 |
1.4 |
0.000 |
1 |
0 |
0 |
0.000 |
65 |
68 |
|
[EOH]B:1701 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
7 |
6 |
29814 |
59.0 |
1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
69 |
|
[EOH]B:1707 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
29814 |
56.0 |
1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
70 |
|
[EOH]A:1713 |
3 |
1 |
171 |
◊ |
B |
-x+1,y,-z |
2_655 |
8 |
4 |
29814 |
55.5 |
2.1 |
0.147 |
0 |
0 |
0 |
0.000 |
68 |
71 |
|
[EOH]A:1699 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
29763 |
55.3 |
1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
72 |
|
[EOH]B:1712 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
29814 |
55.1 |
1.6 |
0.877 |
1 |
0 |
0 |
0.000 |
70 |
73 |
|
[EOH]A:1703 |
2 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
29763 |
54.3 |
1.9 |
0.252 |
1 |
0 |
0 |
0.000 |
71 |
74 |
|
[EOH]B:1692 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
29814 |
54.3 |
0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
75 |
|
[EOH]A:1691 |
3 |
1 |
173 |
f |
A |
-x+1,y,-z |
2_655 |
8 |
4 |
29763 |
53.9 |
1.4 |
0.135 |
1 |
0 |
0 |
0.000 |
73 |
76 |
|
[EOH]A:1713 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
29763 |
53.6 |
1.3 |
0.000 |
1 |
0 |
0 |
0.000 |
74 |
77 |
|
[EOH]B:1694 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
29814 |
53.1 |
2.0 |
0.000 |
2 |
0 |
0 |
0.000 |
75 |
78 |
|
[EOH]B:1711 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
29814 |
51.7 |
1.8 |
0.309 |
2 |
0 |
0 |
0.000 |
76 |
79 |
|
[EOH]A:1716 |
3 |
1 |
172 |
◊ |
B |
-x+1,y,-z |
2_655 |
5 |
2 |
29814 |
51.2 |
1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
80 |
|
[EOH]A:1727 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
29763 |
50.4 |
0.7 |
0.464 |
0 |
0 |
0 |
0.000 |
78 |
81 |
|
[EOH]B:1710 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
29814 |
50.1 |
1.1 |
0.734 |
0 |
0 |
0 |
0.000 |
79 |
82 |
|
[EOH]A:1703 |
3 |
1 |
170 |
f |
B |
-x+1,y,-z |
2_655 |
6 |
3 |
29814 |
49.6 |
1.0 |
0.544 |
1 |
0 |
0 |
0.000 |
80 |
83 |
|
[EOH]B:1695 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
29814 |
49.3 |
1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
84 |
|
[EOH]A:1697 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
29763 |
47.1 |
1.1 |
0.683 |
1 |
0 |
0 |
0.000 |
82 |
85 |
|
[GOL]B:1715 |
6 |
1 |
220 |
f |
[GOL]B:1714 |
x,y,z |
1_555 |
5 |
1 |
219 |
45.5 |
-0.2 |
0.512 |
1 |
0 |
0 |
0.000 |
83 |
86 |
|
[EOH]A:1803 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
29763 |
45.4 |
1.4 |
0.873 |
0 |
0 |
0 |
0.000 |
84 |
87 |
|
[EOH]A:1801 |
3 |
1 |
172 |
◊ |
B |
-x+1,y,-z |
2_655 |
6 |
4 |
29814 |
45.2 |
1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
88 |
|
[EOH]B:1695 |
2 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
29763 |
39.0 |
1.1 |
0.929 |
2 |
0 |
0 |
0.000 |
86 |
89 |
|
A |
6 |
3 |
29763 |
f |
[EOH]B:1696 |
x,y-1,z |
1_545 |
3 |
1 |
172 |
37.6 |
0.7 |
0.647 |
0 |
0 |
0 |
0.000 |
87 |
90 |
|
[EOH]A:1708 |
3 |
1 |
172 |
◊ |
A |
-x+1,y,-z |
2_655 |
8 |
2 |
29763 |
37.0 |
0.8 |
0.707 |
0 |
0 |
0 |
0.000 |
88 |
91 |
|
[EOH]A:1693 |
3 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
29763 |
36.8 |
1.3 |
0.953 |
1 |
0 |
0 |
0.000 |
89 |
92 |
|
[GOL]B:1714 |
2 |
1 |
219 |
f |
[EOH]B:1689 |
x,y,z |
1_555 |
3 |
1 |
172 |
36.3 |
0.8 |
0.764 |
1 |
0 |
0 |
0.000 |
90 |
93 |
|
[EOH]B:1800 |
2 |
1 |
171 |
f |
[EOH]B:1708 |
x,y,z |
1_555 |
3 |
1 |
172 |
34.2 |
2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
94 |
|
[EOH]A:1702 |
3 |
1 |
172 |
f |
A |
-x+1,y,-z |
2_655 |
3 |
2 |
29763 |
34.0 |
0.7 |
0.478 |
0 |
0 |
0 |
0.000 |
92 |
95 |
|
[EOH]A:1708 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29763 |
33.3 |
1.1 |
0.768 |
0 |
0 |
0 |
0.000 |
93 |
96 |
|
[EOH]A:1692 |
2 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
29763 |
32.7 |
0.8 |
0.881 |
1 |
0 |
0 |
0.000 |
94 |
97 |
|
[EOH]A:1716 |
2 |
1 |
172 |
◊ |
[EOH]A:1703 |
x,y,z |
1_555 |
2 |
1 |
170 |
32.1 |
1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
98 |
|
[EOH]A:1689 |
2 |
1 |
171 |
◊ |
A |
-x+1,y,-z |
2_655 |
7 |
4 |
29763 |
31.6 |
1.0 |
0.249 |
0 |
0 |
0 |
0.000 |
96 |
99 |
|
[EOH]A:1801 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
29814 |
29.4 |
0.5 |
0.411 |
0 |
0 |
0 |
0.000 |
97 |
100 |
|
[EOH]A:1725 |
3 |
1 |
171 |
f |
[EOH]A:1705 |
x,y,z |
1_555 |
2 |
1 |
171 |
29.3 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
98 |
101 |
|
[EOH]A:1699 |
2 |
1 |
172 |
f |
B |
-x+1,y-1,-z |
2_645 |
2 |
1 |
29814 |
28.9 |
0.5 |
0.321 |
0 |
0 |
0 |
0.000 |
99 |
102 |
|
A |
1 |
1 |
29763 |
◊ |
B |
-x+1,y-1,-z |
2_645 |
1 |
1 |
29814 |
28.5 |
-0.9 |
0.048 |
0 |
0 |
0 |
0.000 |
100 |
103 |
|
[EOH]A:1708 |
3 |
1 |
172 |
f |
[EOH]A:1708 |
-x+1,y,-z |
2_655 |
3 |
1 |
172 |
27.9 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
101 |
104 |
|
[EOH]B:1691 |
2 |
1 |
171 |
f |
[EOH]B:1690 |
x,y,z |
1_555 |
2 |
1 |
171 |
27.5 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
102 |
105 |
|
[EOH]A:1709 |
2 |
1 |
172 |
f |
[EOH]A:1700 |
x,y,z |
1_555 |
3 |
1 |
173 |
26.9 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
103 |
106 |
|
[EOH]A:1717 |
2 |
1 |
171 |
f |
A |
-x+1,y,-z |
2_655 |
5 |
2 |
29763 |
26.3 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
104 |
107 |
|
[EOH]B:1702 |
3 |
1 |
171 |
f |
[EOH]B:1694 |
x,y,z |
1_555 |
1 |
1 |
172 |
25.9 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
105 |
108 |
|
[EOH]B:1711 |
3 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
29763 |
24.3 |
0.6 |
0.876 |
1 |
0 |
0 |
0.000 |
106 |
109 |
|
[EOH]A:1801 |
2 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
29763 |
22.7 |
0.5 |
0.648 |
0 |
0 |
0 |
0.000 |
107 |
110 |
|
[EOH]A:1707 |
1 |
1 |
172 |
f |
[EOH]A:1706 |
x,y,z |
1_555 |
3 |
1 |
171 |
22.1 |
1.3 |
0.577 |
0 |
0 |
0 |
0.000 |
108 |
111 |
|
[EOH]B:1700 |
3 |
1 |
171 |
f |
[EOH]B:1699 |
x,y,z |
1_555 |
1 |
1 |
172 |
21.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
109 |
112 |
|
[EOH]A:1691 |
2 |
1 |
173 |
◊ |
[EOH]A:1689 |
x,y,z |
1_555 |
2 |
1 |
171 |
21.0 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
110 |
113 |
|
[EOH]B:1702 |
1 |
1 |
171 |
f |
[EOH]B:1701 |
x,y,z |
1_555 |
3 |
1 |
173 |
21.0 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
111 |
114 |
|
[EOH]A:1717 |
1 |
1 |
171 |
◊ |
[EOH]A:1697 |
-x+1,y,-z |
2_655 |
2 |
1 |
173 |
18.8 |
1.2 |
0.577 |
0 |
0 |
0 |
0.000 |
112 |
115 |
|
[EOH]B:1703 |
1 |
1 |
173 |
f |
B |
-x+1,y,-z |
2_655 |
2 |
1 |
29814 |
18.5 |
0.8 |
0.511 |
0 |
0 |
0 |
0.000 |
113 |
116 |
|
[EOH]B:1701 |
2 |
1 |
173 |
f |
[EOH]B:1694 |
x,y,z |
1_555 |
2 |
1 |
172 |
17.5 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
114 |
117 |
|
[GOL]B:1715 |
1 |
1 |
220 |
◊ |
B |
-x+1,y,-z |
2_655 |
2 |
1 |
29814 |
17.2 |
0.4 |
0.643 |
1 |
0 |
0 |
0.000 |
115 |
118 |
|
[EOH]A:1717 |
1 |
1 |
171 |
f |
[EOH]A:1715 |
x,y,z |
1_555 |
1 |
1 |
172 |
15.2 |
1.0 |
0.333 |
0 |
0 |
0 |
0.000 |
116 |
119 |
|
[EOH]A:1800 |
2 |
1 |
171 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
29763 |
14.7 |
0.5 |
0.757 |
0 |
0 |
0 |
0.000 |
117 |
120 |
|
[EOH]B:1801 |
1 |
1 |
171 |
f |
B |
x-1,y,z |
1_455 |
2 |
2 |
29814 |
12.4 |
0.3 |
0.904 |
0 |
0 |
0 |
0.000 |
118 |
121 |
|
[EOH]A:1704 |
1 |
1 |
173 |
f |
[EOH]A:1698 |
x,y,z |
1_555 |
2 |
1 |
172 |
9.3 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
119 |
122 |
|
[EOH]A:1803 |
1 |
1 |
172 |
f |
[EOH]B:1707 |
-x+1,y-1,-z |
2_645 |
1 |
1 |
171 |
7.9 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
120 |
123 |
|
[EOH]B:1701 |
2 |
1 |
173 |
f |
B |
-x+1,y,-z |
2_655 |
4 |
2 |
29814 |
7.1 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
121 |
124 |
|
[EOH]A:1721 |
1 |
1 |
172 |
f |
[EOH]A:1693 |
x,y,z |
1_555 |
1 |
1 |
171 |
4.2 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
122 |
125 |
|
[EOH]B:1712 |
1 |
1 |
171 |
f |
B |
-x+1,y,-z |
2_655 |
1 |
1 |
29814 |
3.5 |
0.2 |
0.866 |
0 |
0 |
0 |
0.000 |
123 |
126 |
|
[EOH]B:1693 |
1 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
29763 |
3.2 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
124 |
127 |
|
B |
1 |
1 |
29814 |
◊ |
[EOH]B:1800 |
x-1,y,z |
1_455 |
2 |
1 |
171 |
2.0 |
0.1 |
0.850 |
0 |
0 |
0 |
0.000 |
125 |
128 |
|
[EOH]B:1800 |
1 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
29814 |
1.8 |
0.1 |
0.848 |
0 |
0 |
0 |
0.000 |
|