## |
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 |
115 |
31 |
14232 |
◊ |
A |
y,x,-z |
4_555 |
112 |
31 |
14232 |
1121.5 |
-20.6 |
0.004 |
4 |
0 |
0 |
0.052 |
2 |
2 |
|
B |
108 |
27 |
14167 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
5_765 |
110 |
28 |
14167 |
1050.1 |
-18.9 |
0.007 |
6 |
0 |
0 |
0.044 |
3 |
3 |
|
B |
35 |
13 |
14167 |
◊ |
A |
x,y,z |
1_555 |
28 |
13 |
14232 |
287.5 |
-2.8 |
0.341 |
1 |
0 |
0 |
0.000 |
4 |
|
A |
32 |
10 |
14232 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
10 |
14167 |
274.6 |
-4.1 |
0.198 |
1 |
0 |
0 |
0.000 |
Average: |
281.0 |
-3.4 |
0.270 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
27 |
9 |
14167 |
◊ |
A |
y,x,-z |
4_555 |
22 |
6 |
14232 |
228.1 |
-1.0 |
0.318 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
22 |
7 |
14167 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
5_655 |
27 |
10 |
14232 |
223.9 |
-0.3 |
0.463 |
2 |
0 |
0 |
0.000 |
Average: |
226.0 |
-0.6 |
0.391 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
22 |
7 |
14167 |
x |
B |
y,x-1,-z |
4_545 |
31 |
9 |
14167 |
185.6 |
-1.8 |
0.369 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
26 |
7 |
14232 |
x |
A |
-x+1,-x+y,-z+1/3 |
5_655 |
20 |
7 |
14232 |
153.0 |
-1.5 |
0.386 |
2 |
0 |
0 |
0.000 |
Average: |
169.3 |
-1.6 |
0.378 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[MPD]A:329 |
7 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
14232 |
160.2 |
-10.8 |
0.665 |
2 |
0 |
0 |
0.054 |
7 |
10 |
|
[MPD]B:334 |
7 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
14167 |
153.1 |
-9.4 |
0.615 |
1 |
0 |
0 |
0.040 |
8 |
11 |
|
[MPD]A:326 |
7 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
14232 |
153.1 |
-10.2 |
0.396 |
0 |
0 |
0 |
0.047 |
9 |
12 |
|
[GOL]A:310 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
14232 |
149.2 |
-0.9 |
0.518 |
3 |
0 |
0 |
0.010 |
10 |
13 |
|
[GOL]B:313 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
14167 |
145.6 |
-0.7 |
0.522 |
3 |
0 |
0 |
0.008 |
11 |
14 |
|
[MPD]A:328 |
8 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
14232 |
145.2 |
-9.6 |
0.586 |
1 |
0 |
0 |
0.047 |
12 |
15 |
|
[GOL]B:312 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
14167 |
134.5 |
-2.3 |
0.296 |
0 |
0 |
0 |
0.009 |
13 |
16 |
|
A |
10 |
3 |
14232 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
5_765 |
10 |
3 |
14232 |
126.4 |
0.1 |
0.659 |
2 |
4 |
0 |
0.000 |
14 |
17 |
|
[FES]A:301 |
4 |
1 |
239 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14232 |
123.6 |
-16.5 |
0.606 |
1 |
0 |
0 |
0.078 |
18 |
|
[FES]B:301 |
4 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
14167 |
123.4 |
-16.5 |
0.585 |
1 |
0 |
0 |
0.078 |
Average: |
123.5 |
-16.5 |
0.596 |
1 |
0 |
0 |
0.078 |
15 |
19 |
|
[GOL]B:329 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
14167 |
121.2 |
0.1 |
0.632 |
4 |
0 |
0 |
0.007 |
16 |
20 |
|
[GOL]B:319 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14167 |
121.0 |
-0.6 |
0.505 |
4 |
0 |
0 |
0.010 |
17 |
21 |
|
[GOL]B:317 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
14167 |
119.4 |
-0.4 |
0.537 |
4 |
0 |
0 |
0.009 |
18 |
22 |
|
[GOL]B:331 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
14167 |
114.0 |
-0.7 |
0.517 |
3 |
0 |
0 |
0.008 |
19 |
23 |
|
[GOL]A:319 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
14232 |
113.3 |
-0.9 |
0.473 |
2 |
0 |
0 |
0.008 |
20 |
24 |
|
[SO4]B:306 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
14167 |
111.4 |
-16.5 |
0.551 |
0 |
0 |
0 |
0.067 |
21 |
25 |
|
[MPD]A:327 |
6 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14232 |
110.1 |
-6.4 |
0.767 |
6 |
0 |
0 |
0.042 |
22 |
26 |
|
[MPD]B:335 |
7 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
14167 |
109.8 |
-6.0 |
0.805 |
2 |
0 |
0 |
0.028 |
23 |
27 |
|
[SO4]A:309 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14232 |
108.3 |
-15.5 |
0.541 |
0 |
0 |
0 |
0.072 |
24 |
28 |
|
[GOL]A:315 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
14232 |
107.5 |
-0.6 |
0.455 |
1 |
0 |
0 |
0.005 |
25 |
29 |
|
[SO4]B:304 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14167 |
104.7 |
-15.3 |
0.787 |
1 |
0 |
0 |
0.064 |
26 |
30 |
|
[GOL]B:328 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
14167 |
104.2 |
0.8 |
0.775 |
4 |
0 |
0 |
0.004 |
27 |
31 |
|
[SO4]A:307 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14232 |
103.6 |
-15.1 |
0.807 |
1 |
0 |
0 |
0.072 |
28 |
32 |
|
[GOL]B:322 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14167 |
102.0 |
-0.2 |
0.530 |
2 |
0 |
0 |
0.005 |
29 |
33 |
|
[MPD]A:325 |
5 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
14232 |
101.6 |
-5.2 |
0.875 |
2 |
0 |
0 |
0.028 |
30 |
34 |
|
[MPD]B:333 |
5 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
14167 |
100.7 |
-5.9 |
0.722 |
1 |
0 |
0 |
0.026 |
31 |
35 |
|
[GOL]A:317 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14232 |
98.7 |
-0.3 |
0.546 |
4 |
0 |
0 |
0.010 |
32 |
36 |
|
[GOL]B:315 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14167 |
98.5 |
-0.0 |
0.556 |
1 |
0 |
0 |
0.002 |
33 |
37 |
|
[MPD]B:332 |
6 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
14167 |
98.4 |
-6.5 |
0.544 |
0 |
0 |
0 |
0.027 |
34 |
38 |
|
[GOL]B:327 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
14167 |
96.7 |
-0.3 |
0.535 |
5 |
0 |
0 |
0.010 |
35 |
39 |
|
[GOL]A:322 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
14232 |
93.2 |
-0.7 |
0.491 |
1 |
0 |
0 |
0.005 |
36 |
40 |
|
[GOL]B:324 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14167 |
93.0 |
0.8 |
0.748 |
4 |
0 |
0 |
0.004 |
37 |
41 |
|
[SO4]B:310 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14167 |
92.7 |
-14.4 |
0.779 |
2 |
0 |
0 |
0.062 |
38 |
42 |
|
[MPD]B:335 |
6 |
1 |
282 |
◊ |
B |
y,x-1,-z |
4_545 |
11 |
4 |
14167 |
90.6 |
-5.1 |
0.713 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[GOL]B:318 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14167 |
85.0 |
-0.1 |
0.619 |
4 |
0 |
0 |
0.008 |
40 |
44 |
|
[GOL]A:311 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14232 |
83.7 |
-1.0 |
0.429 |
0 |
0 |
0 |
0.005 |
41 |
45 |
|
[GOL]B:325 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14167 |
82.2 |
-0.1 |
0.568 |
2 |
0 |
0 |
0.004 |
42 |
46 |
|
[GOL]A:318 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14232 |
81.3 |
-0.9 |
0.468 |
1 |
0 |
0 |
0.006 |
43 |
47 |
|
[MPD]B:332 |
4 |
1 |
279 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
5_655 |
11 |
3 |
14232 |
80.9 |
-4.5 |
0.760 |
3 |
0 |
0 |
0.000 |
44 |
48 |
|
A |
14 |
5 |
14232 |
f |
[GOL]A:314 |
-x+1,-x+y,-z+1/3 |
5_655 |
6 |
1 |
224 |
80.3 |
-0.4 |
0.439 |
2 |
0 |
0 |
0.006 |
45 |
49 |
|
[GOL]B:314 |
6 |
1 |
219 |
◊ |
B |
y,x-1,-z |
4_545 |
14 |
5 |
14167 |
78.5 |
0.1 |
0.583 |
2 |
0 |
0 |
0.000 |
46 |
50 |
|
A |
10 |
7 |
14232 |
◊ |
[GOL]A:312 |
-x+1,-x+y,-z+1/3 |
5_655 |
6 |
1 |
223 |
78.0 |
-1.0 |
0.297 |
1 |
0 |
0 |
0.000 |
47 |
51 |
|
[GOL]B:314 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14167 |
77.2 |
-0.0 |
0.574 |
2 |
0 |
0 |
0.004 |
48 |
52 |
|
[GOL]B:330 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
14167 |
76.1 |
-0.3 |
0.528 |
1 |
0 |
0 |
0.003 |
49 |
53 |
|
[GOL]A:323 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14232 |
76.0 |
-0.7 |
0.515 |
0 |
0 |
0 |
0.003 |
50 |
54 |
|
[GOL]A:316 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14232 |
75.7 |
0.4 |
0.704 |
3 |
0 |
0 |
0.004 |
51 |
55 |
|
[GOL]A:314 |
6 |
1 |
224 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
14232 |
75.5 |
0.2 |
0.584 |
2 |
0 |
0 |
0.000 |
52 |
56 |
|
A |
7 |
2 |
14232 |
◊ |
[MPD]A:325 |
-x+1,-x+y,-z+1/3 |
5_655 |
5 |
1 |
289 |
75.4 |
-4.3 |
0.678 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[MPD]A:330 |
5 |
1 |
284 |
◊ |
A |
y,x,-z |
4_555 |
11 |
5 |
14232 |
75.2 |
-4.3 |
0.703 |
1 |
0 |
0 |
0.000 |
54 |
58 |
|
[MPD]A:330 |
5 |
1 |
284 |
f |
B |
y,x-1,-z |
4_545 |
12 |
3 |
14167 |
74.1 |
-3.9 |
0.834 |
0 |
0 |
0 |
0.016 |
55 |
59 |
|
[GOL]A:320 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
14232 |
73.7 |
-0.1 |
0.588 |
2 |
0 |
0 |
0.004 |
56 |
60 |
|
[SO4]A:308 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14232 |
72.8 |
-10.3 |
0.816 |
4 |
0 |
0 |
0.056 |
57 |
61 |
|
[MPD]A:326 |
6 |
1 |
274 |
◊ |
A |
y,x,-z |
4_555 |
14 |
4 |
14232 |
71.9 |
-4.7 |
0.459 |
0 |
0 |
0 |
0.022 |
58 |
62 |
|
A |
11 |
5 |
14232 |
◊ |
[GOL]A:313 |
-x+1,-x+y,-z+1/3 |
5_655 |
6 |
1 |
214 |
71.6 |
0.7 |
0.706 |
3 |
0 |
0 |
0.000 |
59 |
63 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14167 |
71.5 |
-10.1 |
0.828 |
4 |
0 |
0 |
0.048 |
60 |
64 |
|
[GOL]B:323 |
5 |
1 |
221 |
◊ |
B |
y,x-1,-z |
4_545 |
10 |
5 |
14167 |
71.4 |
-0.2 |
0.510 |
2 |
0 |
0 |
0.000 |
61 |
65 |
|
B |
7 |
4 |
14167 |
◊ |
B |
y+1,x-1,-z |
4_645 |
7 |
4 |
14167 |
70.4 |
-0.8 |
0.393 |
0 |
0 |
0 |
0.000 |
62 |
66 |
|
[GOL]B:320 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
14167 |
70.1 |
-0.3 |
0.539 |
2 |
0 |
0 |
0.005 |
63 |
67 |
|
[SO4]B:303 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14167 |
70.0 |
-8.8 |
0.843 |
2 |
0 |
0 |
0.039 |
64 |
68 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14232 |
67.7 |
-8.3 |
0.857 |
2 |
0 |
0 |
0.043 |
65 |
69 |
|
[GOL]B:326 |
5 |
1 |
222 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
5_655 |
11 |
5 |
14232 |
67.3 |
-0.3 |
0.476 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
[GOL]A:322 |
5 |
1 |
221 |
◊ |
A |
y,x,-z |
4_555 |
10 |
5 |
14232 |
66.5 |
-0.5 |
0.427 |
2 |
0 |
0 |
0.007 |
67 |
71 |
|
[MPD]A:327 |
5 |
1 |
269 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
5_655 |
9 |
5 |
14232 |
65.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
72 |
|
[MPD]A:328 |
5 |
1 |
286 |
◊ |
B |
y,x,-z |
4_555 |
8 |
2 |
14167 |
65.7 |
-3.1 |
0.826 |
0 |
0 |
0 |
0.000 |
69 |
73 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14232 |
62.1 |
-8.8 |
0.620 |
1 |
0 |
0 |
0.043 |
70 |
74 |
|
[SO4]B:308 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14167 |
61.5 |
-8.6 |
0.522 |
0 |
0 |
0 |
0.035 |
71 |
75 |
|
[SO4]B:309 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14167 |
60.7 |
-8.5 |
0.790 |
0 |
0 |
0 |
0.035 |
72 |
76 |
|
[SO4]B:307 |
5 |
1 |
185 |
f |
B |
-x+2,-x+y+1,-z+1/3 |
5_765 |
8 |
3 |
14167 |
60.0 |
-8.4 |
0.578 |
2 |
0 |
0 |
0.039 |
77 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
y,x,-z |
4_555 |
8 |
3 |
14232 |
55.5 |
-7.5 |
0.607 |
2 |
0 |
0 |
0.039 |
Average: |
57.7 |
-8.0 |
0.593 |
2 |
0 |
0 |
0.039 |
73 |
78 |
|
[GOL]B:323 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14167 |
59.2 |
-0.3 |
0.468 |
2 |
0 |
0 |
0.005 |
74 |
79 |
|
[GOL]B:312 |
3 |
1 |
214 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
5_765 |
13 |
4 |
14167 |
58.8 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.003 |
75 |
80 |
|
[SO4]A:305 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14232 |
58.8 |
-7.9 |
0.812 |
2 |
0 |
0 |
0.041 |
76 |
81 |
|
[SO4]A:306 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
14232 |
58.3 |
-7.3 |
0.808 |
3 |
0 |
0 |
0.040 |
77 |
82 |
|
[GOL]A:312 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14232 |
57.2 |
-0.4 |
0.368 |
1 |
0 |
0 |
0.004 |
78 |
83 |
|
[GOL]B:321 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14167 |
57.1 |
0.1 |
0.598 |
1 |
0 |
0 |
0.001 |
79 |
84 |
|
[GOL]A:321 |
4 |
1 |
220 |
◊ |
B |
y,x-1,-z |
4_545 |
5 |
2 |
14167 |
57.1 |
1.3 |
0.780 |
2 |
0 |
0 |
0.000 |
80 |
85 |
|
[GOL]B:327 |
6 |
1 |
217 |
f |
B |
-x+2,-x+y+1,-z+1/3 |
5_765 |
12 |
3 |
14167 |
56.6 |
-0.7 |
0.545 |
0 |
0 |
0 |
0.003 |
81 |
86 |
|
[SO4]B:302 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14167 |
55.9 |
-7.2 |
0.785 |
1 |
0 |
0 |
0.031 |
82 |
87 |
|
[GOL]A:313 |
5 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14232 |
54.6 |
-0.4 |
0.482 |
1 |
0 |
0 |
0.004 |
83 |
88 |
|
[GOL]A:321 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14232 |
54.3 |
-0.6 |
0.428 |
0 |
0 |
0 |
0.003 |
84 |
89 |
|
[GOL]B:326 |
4 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
14167 |
50.6 |
-0.1 |
0.529 |
2 |
0 |
0 |
0.004 |
85 |
90 |
|
[SO4]B:311 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
14167 |
50.3 |
-5.4 |
0.919 |
1 |
0 |
0 |
0.024 |
86 |
91 |
|
[SO4]B:307 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14167 |
47.7 |
-5.4 |
0.793 |
1 |
0 |
0 |
0.024 |
87 |
92 |
|
[SO4]A:303 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14232 |
45.8 |
-5.5 |
0.790 |
1 |
0 |
0 |
0.027 |
88 |
93 |
|
[GOL]B:323 |
4 |
1 |
221 |
◊ |
[GOL]B:322 |
y,x-1,-z |
4_545 |
5 |
1 |
221 |
44.0 |
-0.0 |
0.567 |
1 |
0 |
0 |
0.000 |
89 |
94 |
|
A |
4 |
1 |
14232 |
◊ |
[MPD]A:329 |
-x+1,-x+y,-z+1/3 |
5_655 |
4 |
1 |
275 |
43.9 |
-2.3 |
0.778 |
0 |
0 |
0 |
0.000 |
90 |
95 |
|
[CL]A:331 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14232 |
43.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.026 |
91 |
96 |
|
[MPD]B:333 |
2 |
1 |
279 |
f |
[GOL]B:330 |
x,y,z |
1_555 |
3 |
1 |
215 |
42.3 |
-2.0 |
0.680 |
0 |
0 |
0 |
0.008 |
92 |
97 |
|
[MPD]B:332 |
5 |
1 |
279 |
f |
[GOL]B:326 |
x,y,z |
1_555 |
3 |
1 |
222 |
42.2 |
-1.9 |
0.000 |
1 |
0 |
0 |
0.010 |
93 |
98 |
|
[SO4]A:306 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14167 |
42.1 |
-5.6 |
0.619 |
0 |
0 |
0 |
0.000 |
94 |
99 |
|
[GOL]B:324 |
4 |
1 |
217 |
f |
[SO4]B:309 |
x,y,z |
1_555 |
4 |
1 |
186 |
40.1 |
-5.0 |
0.803 |
1 |
0 |
0 |
0.022 |
95 |
100 |
|
B |
9 |
4 |
14167 |
◊ |
[GOL]B:322 |
y,x-1,-z |
4_545 |
4 |
1 |
221 |
39.7 |
-0.3 |
0.483 |
0 |
0 |
0 |
0.000 |
96 |
101 |
|
[GOL]B:321 |
4 |
1 |
217 |
f |
[SO4]B:309 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.6 |
-5.0 |
0.791 |
1 |
0 |
0 |
0.022 |
97 |
102 |
|
[SO4]B:306 |
4 |
1 |
185 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
5_765 |
7 |
3 |
14167 |
39.6 |
-5.3 |
0.511 |
0 |
0 |
0 |
0.022 |
98 |
103 |
|
B |
5 |
1 |
14167 |
◊ |
[SO4]A:305 |
-x+1,-x+y,-z+1/3 |
5_655 |
4 |
1 |
185 |
39.4 |
-3.9 |
0.935 |
1 |
0 |
0 |
0.000 |
99 |
104 |
|
[MPD]A:330 |
3 |
1 |
284 |
◊ |
[SO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
185 |
39.3 |
-6.7 |
0.998 |
2 |
0 |
0 |
0.000 |
100 |
105 |
|
[GOL]A:324 |
3 |
1 |
219 |
f |
[GOL]A:319 |
x,y,z |
1_555 |
4 |
1 |
219 |
39.1 |
0.3 |
0.556 |
1 |
0 |
0 |
0.000 |
101 |
106 |
|
[GOL]A:318 |
4 |
1 |
219 |
f |
[SO4]A:305 |
x,y,z |
1_555 |
3 |
1 |
185 |
38.3 |
-4.4 |
0.765 |
1 |
0 |
0 |
0.023 |
102 |
107 |
|
[GOL]B:325 |
4 |
1 |
220 |
f |
[SO4]B:305 |
x,y,z |
1_555 |
4 |
1 |
185 |
37.9 |
-4.1 |
0.791 |
2 |
0 |
0 |
0.020 |
103 |
108 |
|
[SO4]A:309 |
5 |
1 |
187 |
◊ |
A |
y,x,-z |
4_555 |
8 |
2 |
14232 |
36.6 |
-4.9 |
0.561 |
0 |
0 |
0 |
0.023 |
104 |
109 |
|
[GOL]B:316 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
14167 |
36.5 |
1.0 |
0.779 |
1 |
0 |
0 |
0.000 |
105 |
110 |
|
[SO4]B:302 |
4 |
1 |
183 |
◊ |
A |
y,x,-z |
4_555 |
4 |
1 |
14232 |
35.9 |
-3.6 |
0.933 |
2 |
0 |
0 |
0.000 |
106 |
111 |
|
[GOL]B:323 |
3 |
1 |
221 |
f |
[GOL]B:314 |
x,y,z |
1_555 |
2 |
1 |
219 |
34.5 |
0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
107 |
112 |
|
[MPD]A:327 |
5 |
1 |
269 |
◊ |
[GOL]A:312 |
-x+1,-x+y,-z+1/3 |
5_655 |
2 |
1 |
223 |
34.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
108 |
113 |
|
[GOL]B:318 |
2 |
1 |
219 |
f |
[GOL]B:317 |
x,y,z |
1_555 |
3 |
1 |
217 |
33.1 |
0.2 |
0.661 |
1 |
0 |
0 |
0.000 |
109 |
114 |
|
[MPD]A:325 |
2 |
1 |
289 |
f |
[GOL]A:312 |
x,y,z |
1_555 |
2 |
1 |
223 |
32.1 |
-1.8 |
0.740 |
0 |
0 |
0 |
0.008 |
110 |
115 |
|
[GOL]B:316 |
2 |
1 |
221 |
f |
[GOL]B:315 |
x,y,z |
1_555 |
3 |
1 |
220 |
30.3 |
0.2 |
0.569 |
1 |
0 |
0 |
0.001 |
111 |
116 |
|
[GOL]A:320 |
3 |
1 |
216 |
f |
[GOL]A:319 |
x,y,z |
1_555 |
2 |
1 |
219 |
29.9 |
0.5 |
0.750 |
1 |
0 |
0 |
0.000 |
112 |
117 |
|
[GOL]B:331 |
2 |
1 |
218 |
f |
[GOL]B:330 |
x,y,z |
1_555 |
3 |
1 |
215 |
28.9 |
0.1 |
0.661 |
1 |
0 |
0 |
0.002 |
113 |
118 |
|
[SO4]B:307 |
3 |
1 |
185 |
◊ |
[SO4]A:306 |
-x+2,-x+y+1,-z+1/3 |
5_765 |
3 |
1 |
187 |
28.3 |
-6.7 |
0.992 |
0 |
0 |
0 |
0.000 |
114 |
119 |
|
[GOL]B:320 |
3 |
1 |
218 |
f |
[GOL]B:319 |
x,y,z |
1_555 |
2 |
1 |
219 |
28.1 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
115 |
120 |
|
[MPD]B:332 |
2 |
1 |
279 |
◊ |
[GOL]A:313 |
-x+1,-x+y,-z+1/3 |
5_655 |
4 |
1 |
214 |
28.1 |
-1.8 |
0.597 |
0 |
0 |
0 |
0.000 |
116 |
121 |
|
[GOL]A:324 |
3 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
14232 |
27.0 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
117 |
122 |
|
[MPD]A:327 |
2 |
1 |
269 |
◊ |
[GOL]A:313 |
-x+1,-x+y,-z+1/3 |
5_655 |
2 |
1 |
214 |
26.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
118 |
123 |
|
[GOL]A:323 |
3 |
1 |
217 |
f |
[GOL]A:320 |
x,y,z |
1_555 |
2 |
1 |
216 |
26.5 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.001 |
119 |
124 |
|
[SO4]B:308 |
1 |
1 |
186 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.2 |
-6.1 |
0.891 |
0 |
0 |
0 |
0.025 |
120 |
125 |
|
[GOL]A:322 |
3 |
1 |
221 |
◊ |
[SO4]A:303 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.8 |
-3.1 |
0.816 |
1 |
0 |
0 |
0.017 |
121 |
126 |
|
[GOL]B:327 |
2 |
1 |
217 |
◊ |
[SO4]B:307 |
-x+2,-x+y+1,-z+1/3 |
5_765 |
1 |
1 |
185 |
23.9 |
-2.7 |
0.775 |
1 |
0 |
0 |
0.013 |
122 |
127 |
|
[GOL]A:314 |
3 |
1 |
224 |
◊ |
[GOL]A:313 |
x,y,z |
1_555 |
2 |
1 |
214 |
22.5 |
0.3 |
0.565 |
1 |
0 |
0 |
0.000 |
123 |
128 |
|
[GOL]B:324 |
3 |
1 |
217 |
f |
[GOL]B:321 |
x,y,z |
1_555 |
2 |
1 |
217 |
21.1 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
124 |
129 |
|
[MPD]B:333 |
1 |
1 |
279 |
f |
[GOL]B:328 |
x,y,z |
1_555 |
3 |
1 |
218 |
20.7 |
-1.0 |
0.690 |
1 |
0 |
0 |
0.006 |
125 |
130 |
|
[MPD]A:326 |
1 |
1 |
274 |
◊ |
[MPD]A:326 |
y,x,-z |
4_555 |
1 |
1 |
274 |
19.1 |
-1.8 |
0.857 |
0 |
0 |
0 |
0.004 |
126 |
131 |
|
[GOL]B:326 |
2 |
1 |
222 |
◊ |
[GOL]A:314 |
-x+1,-x+y,-z+1/3 |
5_655 |
2 |
1 |
224 |
18.5 |
0.4 |
0.661 |
1 |
0 |
0 |
0.000 |
127 |
132 |
|
[GOL]B:329 |
2 |
1 |
220 |
f |
[SO4]B:311 |
x,y,z |
1_555 |
1 |
1 |
186 |
17.5 |
-2.1 |
0.683 |
1 |
0 |
0 |
0.010 |
128 |
133 |
|
[GOL]A:323 |
1 |
1 |
217 |
f |
[GOL]A:318 |
x,y,z |
1_555 |
2 |
1 |
219 |
17.0 |
0.3 |
0.589 |
1 |
0 |
0 |
0.000 |
129 |
134 |
|
[GOL]A:310 |
1 |
1 |
220 |
◊ |
A |
y,x,-z |
4_555 |
2 |
1 |
14232 |
16.6 |
0.4 |
0.626 |
1 |
0 |
0 |
0.000 |
130 |
135 |
|
[GOL]B:329 |
2 |
1 |
220 |
◊ |
A |
y,x,-z |
4_555 |
1 |
1 |
14232 |
16.5 |
-0.1 |
0.287 |
0 |
0 |
0 |
0.000 |
131 |
136 |
|
[GOL]A:323 |
2 |
1 |
217 |
f |
[GOL]A:317 |
x,y,z |
1_555 |
1 |
1 |
219 |
15.4 |
0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
132 |
137 |
|
[GOL]A:321 |
3 |
1 |
220 |
◊ |
A |
y,x,-z |
4_555 |
1 |
1 |
14232 |
14.5 |
-0.3 |
0.269 |
0 |
0 |
0 |
0.001 |
133 |
138 |
|
[GOL]A:324 |
2 |
1 |
219 |
f |
[GOL]A:320 |
x,y,z |
1_555 |
2 |
1 |
216 |
11.8 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
134 |
139 |
|
[GOL]A:316 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14167 |
10.3 |
0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
135 |
140 |
|
[SO4]A:309 |
1 |
1 |
187 |
◊ |
[SO4]A:309 |
y,x,-z |
4_555 |
1 |
1 |
187 |
9.7 |
-2.3 |
0.800 |
0 |
0 |
0 |
0.005 |
136 |
141 |
|
[MPD]A:326 |
1 |
1 |
274 |
f |
[SO4]A:309 |
x,y,z |
1_555 |
1 |
1 |
187 |
9.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
137 |
142 |
|
[GOL]B:313 |
2 |
1 |
217 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
5_765 |
1 |
1 |
14167 |
8.0 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
138 |
143 |
|
[FES]A:301 |
1 |
1 |
239 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14167 |
7.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
144 |
|
A |
1 |
1 |
14232 |
◊ |
[FES]B:301 |
x-1,y,z |
1_455 |
1 |
1 |
237 |
5.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
6.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
139 |
145 |
|
[SO4]B:306 |
1 |
1 |
185 |
◊ |
[SO4]B:306 |
-x+2,-x+y+1,-z+1/3 |
5_765 |
1 |
1 |
185 |
6.4 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.003 |
140 |
146 |
|
[GOL]B:322 |
3 |
1 |
221 |
f |
[GOL]B:315 |
x,y,z |
1_555 |
1 |
1 |
220 |
6.4 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
141 |
147 |
|
[SO4]B:310 |
1 |
1 |
186 |
f |
[SO4]B:303 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.1 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.006 |
142 |
148 |
|
[MPD]A:330 |
1 |
1 |
284 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14167 |
3.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
143 |
149 |
|
[MPD]B:333 |
1 |
1 |
279 |
f |
[SO4]B:308 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
144 |
150 |
|
[MPD]A:330 |
1 |
1 |
284 |
◊ |
[GOL]A:322 |
x,y,z |
1_555 |
1 |
1 |
221 |
3.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
145 |
151 |
|
[GOL]B:326 |
2 |
1 |
222 |
◊ |
[GOL]A:313 |
-x+1,-x+y,-z+1/3 |
5_655 |
1 |
1 |
214 |
3.1 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
146 |
152 |
|
A |
2 |
1 |
14232 |
◊ |
B |
y,x-1,-z |
4_545 |
2 |
1 |
14167 |
2.7 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
153 |
|
B |
1 |
1 |
14167 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
5_765 |
1 |
1 |
14232 |
1.2 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
147 |
154 |
|
[GOL]B:314 |
1 |
1 |
219 |
◊ |
[GOL]B:322 |
y,x-1,-z |
4_545 |
2 |
1 |
221 |
1.9 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
148 |
155 |
|
[GOL]B:323 |
1 |
1 |
221 |
◊ |
A |
y,x,-z |
4_555 |
1 |
1 |
14232 |
0.9 |
-0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
149 |
156 |
|
[MPD]B:332 |
1 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14232 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|