## |
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 |
147 |
40 |
11722 |
◊ |
C |
x,y,z |
1_555 |
148 |
40 |
11508 |
1428.7 |
-12.8 |
0.239 |
19 |
0 |
0 |
0.229 |
2 |
|
B |
146 |
41 |
11597 |
◊ |
A |
x,y,z |
1_555 |
148 |
42 |
12073 |
1420.7 |
-13.4 |
0.221 |
16 |
0 |
0 |
0.229 |
3 |
|
F |
146 |
41 |
11806 |
◊ |
E |
x,y,z |
1_555 |
144 |
41 |
11758 |
1407.8 |
-14.3 |
0.139 |
18 |
0 |
0 |
0.229 |
Average: |
1419.0 |
-13.5 |
0.199 |
18 |
0 |
0 |
0.229 |
2 |
4 |
|
D |
79 |
27 |
11722 |
◊ |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
65 |
23 |
12073 |
676.3 |
-5.1 |
0.389 |
10 |
1 |
0 |
0.000 |
3 |
5 |
|
B |
76 |
26 |
11597 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
75 |
20 |
11597 |
671.6 |
-4.1 |
0.388 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
F |
49 |
16 |
11806 |
◊ |
C |
y,x,-z+2 |
7_557 |
62 |
21 |
11508 |
539.3 |
2.9 |
0.897 |
10 |
8 |
0 |
0.000 |
5 |
7 |
|
B |
58 |
16 |
11597 |
◊ |
E |
-x+1,-y+2,z-1/2 |
2_674 |
56 |
15 |
11758 |
488.7 |
0.1 |
0.746 |
7 |
5 |
0 |
0.000 |
6 |
8 |
|
D |
51 |
20 |
11722 |
◊ |
A |
x,y,z |
1_555 |
39 |
8 |
12073 |
410.8 |
-3.6 |
0.381 |
0 |
0 |
0 |
0.010 |
7 |
9 |
|
E |
34 |
13 |
11758 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
12073 |
371.2 |
-4.8 |
0.199 |
4 |
0 |
0 |
0.028 |
8 |
10 |
|
F |
34 |
11 |
11806 |
◊ |
C |
x,y,z |
1_555 |
35 |
15 |
11508 |
356.2 |
-4.5 |
0.213 |
2 |
0 |
0 |
0.014 |
9 |
11 |
|
A |
42 |
16 |
12073 |
◊ |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
40 |
16 |
11597 |
342.4 |
-3.8 |
0.348 |
1 |
1 |
0 |
0.000 |
10 |
12 |
|
C |
45 |
14 |
11508 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
12073 |
337.4 |
-1.9 |
0.493 |
3 |
2 |
0 |
0.009 |
11 |
13 |
|
E |
35 |
11 |
11758 |
◊ |
E |
y,x,-z+2 |
7_557 |
35 |
11 |
11758 |
261.1 |
-2.8 |
0.394 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[GOL]C:309 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
11508 |
135.1 |
-0.2 |
0.561 |
5 |
0 |
0 |
0.020 |
15 |
|
[GOL]F:307 |
6 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
26 |
12 |
11806 |
132.8 |
-0.5 |
0.603 |
3 |
0 |
0 |
0.020 |
Average: |
133.9 |
-0.4 |
0.582 |
4 |
0 |
0 |
0.020 |
13 |
16 |
|
[GOL]A:311 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
12073 |
134.1 |
-0.5 |
0.620 |
4 |
0 |
0 |
0.041 |
17 |
|
[GOL]B:314 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
11597 |
125.7 |
-0.2 |
0.528 |
6 |
0 |
0 |
0.041 |
Average: |
129.9 |
-0.3 |
0.574 |
5 |
0 |
0 |
0.041 |
14 |
18 |
|
[GOL]E:308 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
24 |
11 |
11758 |
132.8 |
-0.3 |
0.575 |
3 |
0 |
0 |
0.017 |
15 |
19 |
|
[GOL]D:306 |
6 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
11722 |
128.5 |
-0.7 |
0.542 |
6 |
0 |
0 |
0.028 |
16 |
20 |
|
[GOL]E:304 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
21 |
6 |
11758 |
123.3 |
-0.6 |
0.546 |
2 |
0 |
0 |
0.015 |
17 |
21 |
|
F |
10 |
3 |
11806 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
11722 |
116.7 |
-0.4 |
0.600 |
1 |
0 |
0 |
0.002 |
18 |
22 |
|
[PYR]B:313 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
11597 |
116.5 |
2.7 |
0.379 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
B |
15 |
5 |
11597 |
◊ |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
15 |
5 |
12073 |
116.1 |
-1.8 |
0.307 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[ACT]B:308 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
11 |
11597 |
113.8 |
-0.7 |
0.651 |
1 |
0 |
0 |
0.009 |
21 |
25 |
|
[GOL]F:306 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
11806 |
111.1 |
0.1 |
0.601 |
7 |
0 |
0 |
0.031 |
22 |
26 |
|
B |
16 |
6 |
11597 |
f |
[GOL]B:312 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
6 |
1 |
222 |
109.3 |
-0.0 |
0.569 |
3 |
0 |
0 |
0.011 |
23 |
27 |
|
[GOL]A:310 |
6 |
1 |
218 |
f |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
17 |
7 |
11597 |
107.3 |
-0.5 |
0.539 |
1 |
0 |
0 |
0.008 |
24 |
28 |
|
[SO4]C:301 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
11508 |
106.6 |
-13.9 |
0.751 |
2 |
0 |
0 |
0.123 |
25 |
29 |
|
E |
11 |
5 |
11758 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
11508 |
105.0 |
0.7 |
0.686 |
2 |
2 |
0 |
0.001 |
26 |
30 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
11597 |
104.8 |
-13.7 |
0.795 |
0 |
0 |
0 |
0.110 |
27 |
31 |
|
[ACT]B:311 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11597 |
100.8 |
-0.2 |
0.721 |
0 |
0 |
0 |
0.001 |
28 |
32 |
|
[GOL]E:307 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
11758 |
99.9 |
-1.1 |
0.462 |
0 |
0 |
0 |
0.012 |
29 |
33 |
|
[SO4]D:301 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
11508 |
97.0 |
-12.9 |
0.769 |
1 |
0 |
0 |
0.111 |
30 |
34 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
11508 |
95.0 |
-14.9 |
0.842 |
4 |
0 |
0 |
0.139 |
31 |
35 |
|
[GOL]A:306 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
12073 |
93.8 |
-0.1 |
0.580 |
2 |
0 |
0 |
0.008 |
32 |
36 |
|
B |
10 |
4 |
11597 |
◊ |
[GOL]B:305 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
6 |
1 |
216 |
92.7 |
-0.4 |
0.529 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[BME]A:312 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
12073 |
92.4 |
0.3 |
0.487 |
1 |
0 |
0 |
0.000 |
34 |
38 |
|
[GOL]C:305 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
11722 |
92.2 |
-0.6 |
0.516 |
1 |
0 |
0 |
0.009 |
35 |
39 |
|
[GOL]B:306 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11597 |
90.8 |
-0.3 |
0.612 |
4 |
0 |
0 |
0.017 |
36 |
40 |
|
[GOL]D:305 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
11722 |
90.1 |
-1.5 |
0.307 |
0 |
0 |
0 |
0.012 |
37 |
41 |
|
[GOL]A:305 |
5 |
1 |
218 |
◊ |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
12 |
4 |
11597 |
90.0 |
-1.4 |
0.302 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[GOL]A:305 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12073 |
89.5 |
-0.7 |
0.421 |
3 |
0 |
0 |
0.016 |
39 |
43 |
|
[GOL]D:304 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
11722 |
87.9 |
-1.3 |
0.379 |
1 |
0 |
0 |
0.015 |
40 |
44 |
|
[GOL]B:304 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11597 |
87.1 |
-0.3 |
0.590 |
5 |
0 |
0 |
0.020 |
41 |
45 |
|
[GOL]F:304 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
11806 |
86.2 |
-0.3 |
0.475 |
4 |
0 |
0 |
0.021 |
42 |
46 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11597 |
86.0 |
-11.6 |
0.752 |
1 |
0 |
0 |
0.097 |
43 |
47 |
|
[ACT]F:303 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
15 |
8 |
11758 |
84.9 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
B |
13 |
6 |
11597 |
◊ |
[GOL]B:306 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
6 |
1 |
217 |
84.1 |
-0.5 |
0.527 |
2 |
0 |
0 |
0.000 |
45 |
49 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12073 |
83.8 |
-10.9 |
0.927 |
4 |
0 |
0 |
0.102 |
46 |
50 |
|
[BME]A:312 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
11508 |
83.1 |
-1.1 |
0.369 |
1 |
0 |
0 |
0.013 |
47 |
51 |
|
[ACT]A:307 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
12073 |
82.0 |
-0.5 |
0.669 |
1 |
0 |
0 |
0.007 |
48 |
52 |
|
[SO4]F:301 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
11806 |
80.6 |
-12.3 |
0.783 |
5 |
0 |
0 |
0.150 |
49 |
53 |
|
[GOL]C:307 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11508 |
79.8 |
0.3 |
0.622 |
1 |
0 |
0 |
0.001 |
50 |
54 |
|
[ACT]E:306 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
11806 |
78.8 |
0.0 |
0.712 |
1 |
0 |
0 |
0.004 |
51 |
55 |
|
[ACT]A:309 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12073 |
78.7 |
0.2 |
0.757 |
2 |
0 |
0 |
0.006 |
52 |
56 |
|
[GOL]D:303 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
11722 |
76.4 |
-0.4 |
0.443 |
3 |
0 |
0 |
0.014 |
53 |
57 |
|
B |
11 |
5 |
11597 |
◊ |
[GOL]B:309 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
6 |
1 |
217 |
76.0 |
-1.0 |
0.406 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
[GOL]A:310 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12073 |
75.6 |
-0.5 |
0.406 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[SO4]E:301 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
11758 |
74.9 |
-9.7 |
0.927 |
4 |
0 |
0 |
0.118 |
56 |
60 |
|
[GOL]B:309 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11597 |
74.2 |
-0.8 |
0.479 |
3 |
0 |
0 |
0.017 |
57 |
61 |
|
[ACT]E:305 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
11758 |
73.7 |
0.1 |
0.679 |
2 |
0 |
0 |
0.008 |
58 |
62 |
|
[GOL]F:305 |
5 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
11806 |
72.8 |
-0.3 |
0.531 |
1 |
0 |
0 |
0.008 |
59 |
63 |
|
[GOL]B:304 |
5 |
1 |
219 |
◊ |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
14 |
5 |
11597 |
72.0 |
-0.6 |
0.474 |
2 |
0 |
0 |
0.000 |
60 |
64 |
|
[ACT]C:308 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
11508 |
71.4 |
-0.5 |
0.518 |
2 |
0 |
0 |
0.012 |
61 |
65 |
|
[GOL]C:304 |
4 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
11722 |
67.3 |
-0.2 |
0.624 |
1 |
0 |
0 |
0.006 |
62 |
66 |
|
[ACT]A:309 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
11722 |
67.0 |
-0.6 |
0.615 |
0 |
0 |
0 |
0.002 |
63 |
67 |
|
[GOL]F:305 |
5 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
12 |
8 |
11758 |
67.0 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.001 |
64 |
68 |
|
[SO4]B:301 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11597 |
65.5 |
-9.2 |
0.672 |
0 |
0 |
0 |
0.074 |
65 |
69 |
|
[SO4]E:302 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
11758 |
63.5 |
-9.1 |
0.497 |
1 |
0 |
0 |
0.098 |
66 |
70 |
|
[GOL]B:312 |
3 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11597 |
60.8 |
-0.8 |
0.405 |
1 |
0 |
0 |
0.000 |
67 |
71 |
|
[SO4]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11597 |
58.9 |
-6.8 |
0.937 |
3 |
0 |
0 |
0.066 |
68 |
72 |
|
[GOL]C:306 |
4 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
11508 |
58.8 |
-0.5 |
0.443 |
1 |
0 |
0 |
0.008 |
69 |
73 |
|
[GOL]C:304 |
4 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
11508 |
58.5 |
-0.2 |
0.553 |
1 |
0 |
0 |
0.005 |
70 |
74 |
|
[SO4]E:303 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
11758 |
57.9 |
-6.7 |
0.930 |
4 |
0 |
0 |
0.087 |
71 |
75 |
|
[SO4]F:302 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
11806 |
57.6 |
-6.6 |
0.930 |
3 |
0 |
0 |
0.081 |
72 |
76 |
|
[SO4]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
11722 |
57.1 |
-6.6 |
0.931 |
2 |
0 |
0 |
0.062 |
73 |
77 |
|
D |
6 |
2 |
11722 |
◊ |
D |
-y+2,-x+2,-z+3/2 |
8_776 |
6 |
2 |
11722 |
57.0 |
-0.7 |
0.415 |
2 |
0 |
0 |
0.000 |
74 |
78 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12073 |
56.6 |
-7.5 |
0.693 |
1 |
0 |
0 |
0.064 |
75 |
79 |
|
[ACT]E:305 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
12073 |
54.7 |
-0.4 |
0.639 |
0 |
0 |
0 |
0.002 |
76 |
80 |
|
[SO4]C:303 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
11508 |
54.6 |
-5.9 |
0.958 |
2 |
0 |
0 |
0.056 |
77 |
81 |
|
[SO4]B:301 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
12073 |
52.7 |
-6.5 |
0.819 |
1 |
0 |
0 |
0.056 |
78 |
82 |
|
[CL]D:308 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11722 |
51.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.062 |
79 |
83 |
|
[ACT]B:307 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11597 |
51.1 |
-0.1 |
0.476 |
1 |
0 |
0 |
0.005 |
80 |
84 |
|
[GOL]C:306 |
5 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12073 |
51.1 |
-0.6 |
0.325 |
0 |
0 |
0 |
0.002 |
81 |
85 |
|
[GOL]B:305 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
9 |
1 |
11597 |
48.4 |
-0.2 |
0.526 |
0 |
0 |
0 |
0.001 |
82 |
86 |
|
[ACT]F:303 |
3 |
1 |
182 |
cf |
[ACT]E:306 |
x,y,z |
1_555 |
3 |
1 |
182 |
48.3 |
-1.1 |
0.528 |
0 |
0 |
0 |
0.011 |
83 |
87 |
|
[ACT]A:308 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
12073 |
47.5 |
0.4 |
0.769 |
1 |
0 |
0 |
0.000 |
84 |
88 |
|
[ACT]E:306 |
3 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
11758 |
47.1 |
-0.2 |
0.692 |
1 |
0 |
0 |
0.007 |
85 |
89 |
|
[ACT]F:303 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
11806 |
44.8 |
-0.0 |
0.751 |
2 |
0 |
0 |
0.009 |
86 |
90 |
|
D |
6 |
4 |
11722 |
◊ |
[ACT]A:307 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
3 |
1 |
182 |
43.9 |
-0.2 |
0.632 |
0 |
0 |
0 |
0.000 |
87 |
91 |
|
[SO4]E:302 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12073 |
43.0 |
-3.8 |
0.976 |
2 |
0 |
0 |
0.020 |
88 |
92 |
|
[CL]E:309 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
11758 |
42.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.049 |
89 |
93 |
|
[SO4]D:301 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
11722 |
42.2 |
-5.0 |
0.823 |
2 |
0 |
0 |
0.049 |
90 |
94 |
|
[GOL]C:305 |
2 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
11508 |
42.1 |
0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
91 |
95 |
|
D |
8 |
2 |
11722 |
◊ |
[GOL]A:306 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
5 |
1 |
215 |
40.8 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
92 |
96 |
|
[GOL]F:306 |
4 |
1 |
220 |
f |
[GOL]F:305 |
x,y,z |
1_555 |
5 |
1 |
218 |
40.8 |
0.4 |
0.642 |
1 |
0 |
0 |
0.000 |
93 |
97 |
|
[SO4]F:301 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11722 |
38.2 |
-4.5 |
0.625 |
0 |
0 |
0 |
0.012 |
94 |
98 |
|
[GOL]B:309 |
5 |
1 |
217 |
f |
[GOL]B:305 |
x,y,z |
1_555 |
4 |
1 |
216 |
37.6 |
0.4 |
0.690 |
3 |
0 |
0 |
0.008 |
95 |
99 |
|
[ACT]B:310 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11597 |
37.2 |
1.1 |
0.904 |
1 |
0 |
0 |
0.000 |
96 |
100 |
|
[SO4]C:301 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
11722 |
36.7 |
-3.5 |
0.954 |
1 |
0 |
0 |
0.033 |
97 |
101 |
|
[SO4]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12073 |
35.9 |
-4.1 |
0.834 |
1 |
0 |
0 |
0.037 |
98 |
102 |
|
[SO4]B:302 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
12073 |
32.6 |
-3.1 |
0.960 |
2 |
0 |
0 |
0.032 |
99 |
103 |
|
[GOL]F:307 |
3 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11758 |
31.7 |
0.1 |
0.654 |
1 |
0 |
0 |
0.003 |
104 |
|
[GOL]C:309 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11722 |
25.9 |
0.2 |
0.627 |
1 |
0 |
0 |
0.003 |
Average: |
28.8 |
0.2 |
0.640 |
1 |
0 |
0 |
0.003 |
100 |
105 |
|
[ACT]B:308 |
3 |
1 |
183 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
3 |
1 |
186 |
31.3 |
-3.3 |
0.932 |
0 |
0 |
0 |
0.027 |
101 |
106 |
|
[GOL]A:311 |
3 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11597 |
31.0 |
0.2 |
0.701 |
1 |
0 |
0 |
0.003 |
107 |
|
[GOL]B:314 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12073 |
28.2 |
0.3 |
0.606 |
1 |
0 |
0 |
0.003 |
Average: |
29.6 |
0.3 |
0.653 |
1 |
0 |
0 |
0.003 |
102 |
108 |
|
[GOL]D:306 |
2 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11508 |
30.7 |
0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
103 |
109 |
|
[CL]D:307 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
11722 |
30.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.021 |
104 |
110 |
|
[ACT]A:308 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
11508 |
28.8 |
-0.2 |
0.519 |
0 |
0 |
0 |
0.002 |
105 |
111 |
|
[GOL]E:308 |
3 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11806 |
28.7 |
0.3 |
0.676 |
1 |
0 |
0 |
0.001 |
106 |
112 |
|
[ACT]B:311 |
3 |
1 |
183 |
f |
[ACT]B:310 |
x,y,z |
1_555 |
3 |
1 |
182 |
26.9 |
-0.0 |
0.776 |
0 |
0 |
0 |
0.000 |
107 |
113 |
|
[ACT]B:307 |
3 |
1 |
182 |
f |
[SO4]B:301 |
x,y,z |
1_555 |
1 |
1 |
186 |
23.7 |
-2.7 |
0.837 |
0 |
0 |
0 |
0.022 |
108 |
114 |
|
[GOL]F:306 |
2 |
1 |
220 |
f |
[GOL]F:304 |
x,y,z |
1_555 |
2 |
1 |
218 |
22.6 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
109 |
115 |
|
[GOL]C:304 |
2 |
1 |
216 |
f |
[SO4]C:301 |
x,y,z |
1_555 |
4 |
1 |
186 |
21.9 |
-2.3 |
0.763 |
0 |
0 |
0 |
0.019 |
110 |
116 |
|
[GOL]D:304 |
2 |
1 |
217 |
◊ |
[GOL]C:304 |
x,y,z |
1_555 |
2 |
1 |
216 |
21.6 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
111 |
117 |
|
[ACT]A:309 |
3 |
1 |
183 |
◊ |
[GOL]C:305 |
x,y,z |
1_555 |
2 |
1 |
218 |
18.9 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
112 |
118 |
|
F |
3 |
1 |
11806 |
◊ |
F |
y,x,-z+2 |
7_557 |
3 |
1 |
11806 |
15.8 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
113 |
119 |
|
[SO4]A:303 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11758 |
12.6 |
-1.3 |
0.910 |
0 |
0 |
0 |
0.006 |
114 |
120 |
|
[SO4]A:303 |
2 |
1 |
185 |
◊ |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
11597 |
11.4 |
-1.1 |
0.922 |
0 |
0 |
0 |
0.000 |
115 |
121 |
|
[GOL]F:305 |
2 |
1 |
218 |
f |
[GOL]F:304 |
x,y,z |
1_555 |
1 |
1 |
218 |
11.3 |
0.3 |
0.612 |
0 |
0 |
0 |
0.000 |
116 |
122 |
|
[ACT]B:307 |
1 |
1 |
182 |
◊ |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
2 |
1 |
12073 |
10.9 |
-0.2 |
0.514 |
0 |
0 |
0 |
0.000 |
117 |
123 |
|
[CL]E:309 |
1 |
1 |
125 |
f |
[SO4]E:301 |
x,y,z |
1_555 |
1 |
1 |
187 |
10.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.024 |
118 |
124 |
|
[GOL]B:312 |
2 |
1 |
222 |
◊ |
[GOL]B:309 |
x,y,z |
1_555 |
1 |
1 |
217 |
10.1 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
119 |
125 |
|
[GOL]E:304 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12073 |
9.2 |
-0.2 |
0.355 |
0 |
0 |
0 |
0.001 |
120 |
126 |
|
[GOL]B:304 |
1 |
1 |
219 |
◊ |
[GOL]B:309 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
217 |
8.4 |
-0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
121 |
127 |
|
[SO4]E:301 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12073 |
8.0 |
-0.8 |
0.908 |
0 |
0 |
0 |
0.003 |
122 |
128 |
|
[ACT]B:307 |
1 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12073 |
5.8 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
123 |
129 |
|
[GOL]C:305 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12073 |
3.9 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
124 |
130 |
|
[ACT]A:308 |
2 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11722 |
3.6 |
-0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
125 |
131 |
|
[GOL]D:304 |
1 |
1 |
217 |
◊ |
[GOL]C:307 |
x,y,z |
1_555 |
2 |
1 |
218 |
3.0 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
126 |
132 |
|
[ACT]B:308 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12073 |
2.7 |
0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
127 |
133 |
|
[GOL]B:304 |
1 |
1 |
219 |
◊ |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
12073 |
2.5 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
128 |
134 |
|
[SO4]E:302 |
1 |
1 |
186 |
◊ |
[SO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.0 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.002 |
129 |
135 |
|
E |
1 |
1 |
11758 |
◊ |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
11597 |
1.8 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
130 |
136 |
|
A |
2 |
1 |
12073 |
x |
A |
-y+3/2,x+1/2,z+1/4 |
3_655 |
2 |
1 |
12073 |
1.4 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
131 |
137 |
|
[GOL]B:304 |
1 |
1 |
219 |
◊ |
[SO4]A:302 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
1 |
1 |
185 |
1.2 |
-0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
132 |
138 |
|
[GOL]F:304 |
1 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11758 |
1.1 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
133 |
139 |
|
[GOL]C:304 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12073 |
0.9 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
134 |
140 |
|
[ACT]C:308 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11722 |
0.7 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
135 |
141 |
|
[GOL]D:304 |
1 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11508 |
0.3 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
|