## |
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 |
|
D |
90 |
23 |
16688 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
16818 |
856.5 |
-5.1 |
0.364 |
10 |
11 |
0 |
0.000 |
2 |
|
C |
86 |
24 |
16755 |
◊ |
B |
x,y,z |
1_555 |
89 |
23 |
16696 |
836.7 |
-5.0 |
0.377 |
11 |
9 |
0 |
0.000 |
Average: |
846.6 |
-5.1 |
0.371 |
11 |
10 |
0 |
0.000 |
2 |
3 |
|
D |
56 |
22 |
16688 |
◊ |
C |
x,y,z |
1_555 |
56 |
19 |
16755 |
490.1 |
-4.5 |
0.278 |
1 |
0 |
0 |
0.000 |
4 |
|
B |
52 |
20 |
16696 |
◊ |
A |
x,y,z |
1_555 |
50 |
19 |
16818 |
473.2 |
-4.1 |
0.299 |
2 |
1 |
0 |
0.000 |
Average: |
481.7 |
-4.3 |
0.289 |
2 |
1 |
0 |
0.000 |
3 |
5 |
|
B |
52 |
16 |
16696 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
41 |
13 |
16755 |
400.7 |
6.1 |
0.965 |
9 |
3 |
0 |
0.000 |
6 |
|
A |
40 |
13 |
16818 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
16 |
16688 |
364.7 |
5.5 |
0.947 |
7 |
6 |
0 |
0.000 |
Average: |
382.7 |
5.8 |
0.956 |
8 |
5 |
0 |
0.000 |
4 |
7 |
|
A |
30 |
12 |
16818 |
x |
A |
x-1,y,z |
1_455 |
34 |
7 |
16818 |
290.1 |
-2.6 |
0.307 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
33 |
15 |
16696 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
11 |
16818 |
283.5 |
-1.9 |
0.378 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
26 |
7 |
16755 |
x |
C |
x-1,y,z |
1_455 |
36 |
11 |
16755 |
267.9 |
-3.5 |
0.229 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[MES]A:606 |
12 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
16818 |
229.1 |
3.9 |
0.161 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[PGE]C:611 |
10 |
1 |
316 |
◊ |
C |
x,y,z |
1_555 |
31 |
10 |
16755 |
209.0 |
3.6 |
0.218 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
23 |
8 |
16818 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
23 |
5 |
16696 |
188.4 |
1.3 |
0.773 |
1 |
0 |
0 |
0.000 |
13 |
|
D |
20 |
4 |
16688 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
8 |
16755 |
184.6 |
1.5 |
0.804 |
2 |
0 |
0 |
0.000 |
Average: |
186.5 |
1.4 |
0.788 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
15 |
5 |
16696 |
x |
B |
x-1,y,z |
1_455 |
19 |
7 |
16696 |
165.4 |
-0.5 |
0.506 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[2FG]B:609 |
12 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
37 |
16 |
16696 |
153.3 |
2.8 |
0.455 |
6 |
0 |
0 |
0.023 |
16 |
|
[2FG]D:705 |
12 |
1 |
304 |
f |
D |
x,y,z |
1_555 |
36 |
15 |
16688 |
151.4 |
2.7 |
0.434 |
7 |
0 |
0 |
0.023 |
17 |
|
[2FG]A:610 |
12 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
37 |
15 |
16818 |
149.2 |
2.7 |
0.431 |
7 |
0 |
0 |
0.023 |
18 |
|
[2FG]C:616 |
12 |
1 |
302 |
f |
C |
x,y,z |
1_555 |
39 |
15 |
16755 |
128.5 |
2.4 |
0.460 |
6 |
0 |
0 |
0.023 |
Average: |
145.6 |
2.6 |
0.445 |
7 |
0 |
0 |
0.023 |
12 |
19 |
|
[PEG]B:601 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
16696 |
152.9 |
3.8 |
0.419 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
[PEG]C:603 |
7 |
1 |
265 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
16755 |
149.7 |
2.5 |
0.342 |
2 |
0 |
0 |
0.000 |
14 |
21 |
|
[PGE]C:609 |
10 |
1 |
327 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
16755 |
148.1 |
4.4 |
0.279 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[PEG]A:604 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
16818 |
136.8 |
2.9 |
0.367 |
4 |
0 |
0 |
0.000 |
16 |
23 |
|
[GAF]D:706 |
12 |
1 |
301 |
f |
D |
x,y,z |
1_555 |
36 |
15 |
16688 |
131.9 |
2.1 |
0.450 |
7 |
0 |
0 |
0.049 |
24 |
|
[GAF]B:610 |
12 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
37 |
16 |
16696 |
130.4 |
2.1 |
0.458 |
7 |
0 |
0 |
0.049 |
25 |
|
[GAF]A:609 |
12 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
36 |
15 |
16818 |
129.9 |
2.2 |
0.419 |
7 |
0 |
0 |
0.049 |
26 |
|
[GAF]C:615 |
12 |
1 |
299 |
f |
C |
x,y,z |
1_555 |
38 |
15 |
16755 |
119.0 |
2.2 |
0.448 |
7 |
0 |
0 |
0.049 |
Average: |
127.8 |
2.1 |
0.444 |
7 |
0 |
0 |
0.049 |
17 |
27 |
|
[PEG]C:601 |
7 |
1 |
258 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
16755 |
131.5 |
2.1 |
0.309 |
3 |
0 |
0 |
0.000 |
18 |
28 |
|
[PEG]C:602 |
7 |
1 |
254 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
16755 |
128.7 |
2.5 |
0.310 |
2 |
0 |
0 |
0.000 |
19 |
29 |
|
[PEG]C:606 |
7 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
16755 |
123.8 |
3.5 |
0.370 |
4 |
0 |
0 |
0.000 |
20 |
30 |
|
[GOL]C:608 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
28 |
11 |
16755 |
122.9 |
-0.4 |
0.523 |
4 |
0 |
0 |
0.011 |
21 |
31 |
|
[PEG]B:604 |
7 |
1 |
248 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
16696 |
122.5 |
0.8 |
0.160 |
1 |
0 |
0 |
0.000 |
22 |
32 |
|
[PEG]B:606 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
16696 |
119.1 |
3.3 |
0.352 |
2 |
0 |
0 |
0.000 |
23 |
33 |
|
[GOL]D:704 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
16688 |
118.8 |
-0.4 |
0.510 |
5 |
0 |
0 |
0.012 |
24 |
34 |
|
[PEG]D:701 |
7 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
16688 |
113.2 |
1.2 |
0.181 |
1 |
0 |
0 |
0.000 |
25 |
35 |
|
[GOL]D:702 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
16688 |
111.3 |
0.8 |
0.679 |
3 |
0 |
0 |
0.003 |
26 |
36 |
|
[2FG]D:705 |
11 |
1 |
304 |
f |
[GAF]D:706 |
x,y,z |
1_555 |
12 |
1 |
301 |
103.3 |
3.5 |
0.143 |
0 |
0 |
0 |
0.000 |
37 |
|
[2FG]A:610 |
11 |
1 |
304 |
f |
[GAF]A:609 |
x,y,z |
1_555 |
12 |
1 |
300 |
103.3 |
3.3 |
0.146 |
0 |
0 |
0 |
0.000 |
38 |
|
[2FG]B:609 |
12 |
1 |
303 |
f |
[GAF]B:610 |
x,y,z |
1_555 |
12 |
1 |
300 |
101.9 |
3.3 |
0.128 |
0 |
0 |
0 |
0.000 |
39 |
|
[2FG]C:616 |
12 |
1 |
302 |
f |
[GAF]C:615 |
x,y,z |
1_555 |
12 |
1 |
299 |
94.1 |
3.1 |
0.121 |
0 |
0 |
0 |
0.000 |
Average: |
100.6 |
3.3 |
0.134 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[GOL]B:603 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16696 |
102.5 |
-0.1 |
0.567 |
4 |
0 |
0 |
0.014 |
28 |
41 |
|
[PEG]C:617 |
6 |
1 |
240 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
16755 |
99.2 |
2.2 |
0.305 |
1 |
0 |
0 |
0.000 |
29 |
42 |
|
[PEG]A:602 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16818 |
98.6 |
2.6 |
0.297 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[PEG]C:605 |
7 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
16755 |
96.2 |
0.1 |
0.100 |
1 |
0 |
0 |
0.002 |
31 |
44 |
|
[GOL]C:610 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16755 |
96.0 |
-1.5 |
0.267 |
1 |
0 |
0 |
0.010 |
32 |
45 |
|
[GOL]B:602 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
16696 |
96.0 |
1.3 |
0.747 |
4 |
0 |
0 |
0.004 |
33 |
46 |
|
[MES]A:601 |
8 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
16818 |
92.4 |
1.0 |
0.046 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[PEG]C:614 |
7 |
1 |
253 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
16755 |
91.8 |
1.1 |
0.144 |
1 |
0 |
0 |
0.000 |
35 |
48 |
|
[PEG]B:606 |
7 |
1 |
261 |
f |
A |
x-1,y,z |
1_455 |
13 |
3 |
16818 |
90.4 |
2.1 |
0.261 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[PEG]C:613 |
6 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16755 |
89.7 |
1.6 |
0.287 |
4 |
0 |
0 |
0.000 |
37 |
50 |
|
[GOL]A:605 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
16818 |
89.2 |
0.5 |
0.656 |
2 |
0 |
0 |
0.000 |
38 |
51 |
|
[GOL]D:707 |
5 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
16688 |
85.7 |
-1.0 |
0.394 |
0 |
0 |
0 |
0.005 |
39 |
52 |
|
[GOL]A:603 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
16818 |
81.0 |
0.1 |
0.602 |
2 |
0 |
0 |
0.043 |
40 |
53 |
|
B |
8 |
5 |
16696 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
5 |
16755 |
79.9 |
-1.2 |
0.247 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
[EDO]B:607 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
16696 |
79.6 |
2.2 |
0.273 |
3 |
0 |
0 |
0.000 |
42 |
55 |
|
[GOL]C:612 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
16755 |
79.4 |
0.1 |
0.581 |
4 |
0 |
0 |
0.008 |
43 |
56 |
|
[EDO]C:607 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
16755 |
76.8 |
2.9 |
0.329 |
4 |
0 |
0 |
0.000 |
44 |
57 |
|
[GOL]A:608 |
5 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16818 |
76.0 |
-0.2 |
0.571 |
1 |
0 |
0 |
0.035 |
45 |
58 |
|
[PEG]C:618 |
7 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
16755 |
75.8 |
1.1 |
0.139 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
B |
15 |
5 |
16696 |
◊ |
[GOL]C:612 |
x-1,y,z |
1_455 |
6 |
1 |
221 |
75.0 |
-0.9 |
0.421 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
[CL]C:619 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
16755 |
74.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.056 |
48 |
61 |
|
[PEG]C:617 |
6 |
1 |
240 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
4 |
16755 |
73.5 |
1.8 |
0.253 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
B |
11 |
4 |
16696 |
◊ |
[MES]A:601 |
x-1,y,z |
1_455 |
7 |
1 |
336 |
71.7 |
2.4 |
0.149 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
[GOL]C:604 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
16755 |
71.5 |
-0.6 |
0.477 |
0 |
0 |
0 |
0.003 |
51 |
64 |
|
[CL]B:612 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16696 |
69.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.593 |
65 |
|
[CL]A:611 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
16818 |
69.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.593 |
66 |
|
[CL]D:709 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
16688 |
68.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.593 |
67 |
|
[CL]C:620 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
16755 |
65.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.593 |
Average: |
68.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.593 |
52 |
68 |
|
[GOL]B:605 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
16696 |
69.0 |
0.0 |
0.642 |
1 |
0 |
0 |
0.003 |
53 |
69 |
|
[PEG]A:607 |
6 |
1 |
255 |
f |
D |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
4 |
16688 |
67.1 |
0.1 |
0.086 |
0 |
0 |
0 |
0.000 |
54 |
70 |
|
D |
13 |
5 |
16688 |
f |
[PGE]C:609 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
327 |
65.6 |
1.6 |
0.310 |
0 |
0 |
0 |
0.000 |
55 |
71 |
|
[GOL]D:703 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
16688 |
65.6 |
0.3 |
0.656 |
2 |
0 |
0 |
0.003 |
56 |
72 |
|
[CL]D:708 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
16688 |
63.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.038 |
57 |
73 |
|
[GOL]A:605 |
5 |
1 |
219 |
f |
B |
-x,y-1/2,-z |
2_545 |
11 |
4 |
16696 |
63.0 |
-0.5 |
0.500 |
1 |
0 |
0 |
0.007 |
58 |
74 |
|
[PEG]B:608 |
3 |
1 |
249 |
f |
B |
x,y,z |
1_555 |
7 |
1 |
16696 |
57.1 |
2.0 |
0.527 |
0 |
0 |
0 |
0.000 |
59 |
75 |
|
[CL]B:611 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16696 |
50.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.053 |
60 |
76 |
|
[PEG]A:607 |
4 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
16818 |
48.5 |
1.6 |
0.387 |
0 |
0 |
0 |
0.000 |
61 |
77 |
|
B |
7 |
4 |
16696 |
◊ |
[PEG]C:614 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
253 |
47.7 |
1.5 |
0.448 |
1 |
0 |
0 |
0.000 |
62 |
78 |
|
[PGE]C:611 |
7 |
1 |
316 |
◊ |
[PEG]C:614 |
x,y,z |
1_555 |
3 |
1 |
253 |
46.1 |
0.6 |
0.038 |
0 |
0 |
0 |
0.000 |
63 |
79 |
|
[GOL]D:707 |
5 |
1 |
220 |
◊ |
[PEG]D:701 |
x,y,z |
1_555 |
4 |
1 |
253 |
44.8 |
0.7 |
0.256 |
1 |
0 |
0 |
0.000 |
64 |
80 |
|
[GOL]D:707 |
5 |
1 |
220 |
f |
[GOL]D:703 |
x,y,z |
1_555 |
4 |
1 |
215 |
44.8 |
0.2 |
0.567 |
1 |
0 |
0 |
0.000 |
65 |
81 |
|
[PEG]B:608 |
5 |
1 |
249 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
4 |
2 |
16755 |
44.4 |
1.8 |
0.314 |
0 |
0 |
0 |
0.000 |
66 |
82 |
|
[MES]A:601 |
3 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16696 |
41.5 |
1.0 |
0.315 |
0 |
0 |
0 |
0.000 |
67 |
83 |
|
[PEG]B:608 |
4 |
1 |
249 |
◊ |
[EDO]C:607 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
184 |
37.4 |
2.1 |
0.388 |
0 |
0 |
0 |
0.000 |
68 |
84 |
|
[2FG]C:616 |
4 |
1 |
302 |
f |
[GOL]C:608 |
x,y,z |
1_555 |
4 |
1 |
219 |
33.0 |
0.4 |
0.322 |
1 |
0 |
0 |
0.000 |
69 |
85 |
|
[GOL]A:603 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16696 |
32.3 |
0.2 |
0.635 |
2 |
0 |
0 |
0.000 |
70 |
86 |
|
[GAF]C:615 |
4 |
1 |
299 |
f |
[GOL]C:608 |
x,y,z |
1_555 |
4 |
1 |
219 |
27.9 |
0.6 |
0.442 |
1 |
0 |
0 |
0.000 |
71 |
87 |
|
[GOL]D:702 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
16818 |
25.5 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
72 |
88 |
|
[PEG]A:607 |
3 |
1 |
255 |
◊ |
[PEG]D:701 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
253 |
25.1 |
1.4 |
0.118 |
0 |
0 |
0 |
0.000 |
73 |
89 |
|
[EDO]C:607 |
3 |
1 |
184 |
f |
[PEG]C:613 |
x,y,z |
1_555 |
3 |
1 |
248 |
24.8 |
1.1 |
0.492 |
0 |
0 |
0 |
0.000 |
74 |
90 |
|
[EDO]C:607 |
3 |
1 |
184 |
f |
[PEG]C:606 |
x,y,z |
1_555 |
2 |
1 |
263 |
24.6 |
-0.3 |
0.247 |
1 |
0 |
0 |
0.004 |
75 |
91 |
|
[GOL]B:605 |
3 |
1 |
217 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
5 |
3 |
16755 |
22.8 |
0.5 |
0.661 |
1 |
0 |
0 |
0.000 |
76 |
92 |
|
[GOL]B:605 |
3 |
1 |
217 |
◊ |
[PEG]C:614 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
253 |
22.4 |
0.7 |
0.429 |
1 |
0 |
0 |
0.000 |
77 |
93 |
|
D |
6 |
2 |
16688 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
16696 |
21.3 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
78 |
94 |
|
[PGE]C:611 |
2 |
1 |
316 |
f |
[PEG]C:603 |
x,y,z |
1_555 |
2 |
1 |
265 |
19.3 |
0.8 |
0.274 |
0 |
0 |
0 |
0.000 |
79 |
95 |
|
[PEG]B:608 |
5 |
1 |
249 |
◊ |
[PEG]C:613 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
248 |
16.8 |
0.5 |
0.089 |
0 |
0 |
0 |
0.000 |
80 |
96 |
|
[CL]C:619 |
1 |
1 |
125 |
f |
[GOL]C:608 |
x,y,z |
1_555 |
2 |
1 |
219 |
12.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
81 |
97 |
|
[PEG]A:604 |
1 |
1 |
261 |
f |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
16696 |
11.8 |
0.6 |
0.611 |
0 |
0 |
0 |
0.000 |
82 |
98 |
|
[PEG]C:617 |
2 |
1 |
240 |
f |
[PEG]C:605 |
x,y,z |
1_555 |
2 |
1 |
248 |
11.7 |
0.2 |
0.158 |
0 |
0 |
0 |
0.000 |
83 |
99 |
|
[GOL]C:610 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
16688 |
11.6 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
84 |
100 |
|
[PEG]B:608 |
2 |
1 |
249 |
◊ |
[PEG]C:606 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
263 |
10.9 |
0.1 |
0.171 |
0 |
0 |
0 |
0.000 |
85 |
101 |
|
[EDO]C:607 |
2 |
1 |
184 |
f |
[CL]C:620 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
86 |
102 |
|
[CL]C:620 |
1 |
1 |
125 |
f |
[PEG]C:613 |
x,y,z |
1_555 |
1 |
1 |
248 |
5.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
87 |
103 |
|
[CL]A:611 |
1 |
1 |
125 |
f |
[PEG]A:602 |
x,y,z |
1_555 |
1 |
1 |
256 |
5.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.032 |
88 |
104 |
|
B |
1 |
1 |
16696 |
◊ |
[CL]C:619 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
3.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
105 |
|
A |
1 |
1 |
16818 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
16755 |
3.0 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
90 |
106 |
|
[GOL]A:605 |
1 |
1 |
219 |
◊ |
[EDO]B:607 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
186 |
2.1 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
91 |
107 |
|
[GOL]B:605 |
2 |
1 |
217 |
f |
[PGE]C:611 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
316 |
1.4 |
0.0 |
0.342 |
0 |
0 |
0 |
0.000 |
|