| ## |
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 |
443 |
112 |
16154 |
◊ |
C |
x,y,z |
1_555 |
476 |
122 |
30758 |
4323.3 |
-28.4 |
0.296 |
68 |
28 |
0 |
0.237 |
2 |
|
B |
445 |
111 |
16330 |
◊ |
A |
x,y,z |
1_555 |
466 |
121 |
31332 |
4313.4 |
-28.1 |
0.282 |
69 |
29 |
0 |
0.237 |
3 |
|
F |
447 |
109 |
16290 |
◊ |
E |
x,y,z |
1_555 |
465 |
123 |
30904 |
4303.5 |
-32.3 |
0.149 |
72 |
28 |
0 |
0.237 |
| Average: |
4313.4 |
-29.6 |
0.242 |
70 |
28 |
0 |
0.237 |
| 2 |
4 |
|
[MD1]C:1004 |
46 |
1 |
937 |
f |
C |
x,y,z |
1_555 |
105 |
42 |
30758 |
613.6 |
-5.6 |
0.639 |
28 |
0 |
0 |
0.070 |
5 |
|
[MD1]E:1004 |
47 |
1 |
931 |
f |
E |
x,y,z |
1_555 |
101 |
40 |
30904 |
609.0 |
-5.8 |
0.627 |
29 |
0 |
0 |
0.070 |
6 |
|
[MD1]A:1004 |
47 |
1 |
939 |
f |
A |
x,y,z |
1_555 |
102 |
40 |
31332 |
605.8 |
-6.0 |
0.627 |
29 |
0 |
0 |
0.070 |
| Average: |
609.4 |
-5.8 |
0.631 |
29 |
0 |
0 |
0.070 |
| 3 |
7 |
|
[MGD]E:1003 |
47 |
1 |
919 |
f |
E |
x,y,z |
1_555 |
103 |
42 |
30904 |
601.8 |
-11.1 |
0.504 |
21 |
0 |
0 |
0.074 |
8 |
|
[MGD]C:1003 |
47 |
1 |
921 |
f |
C |
x,y,z |
1_555 |
106 |
42 |
30758 |
598.0 |
-11.2 |
0.515 |
21 |
0 |
0 |
0.074 |
9 |
|
[MGD]A:1003 |
47 |
1 |
918 |
f |
A |
x,y,z |
1_555 |
101 |
40 |
31332 |
596.0 |
-10.6 |
0.542 |
21 |
0 |
0 |
0.074 |
| Average: |
598.6 |
-11.0 |
0.520 |
21 |
0 |
0 |
0.074 |
| 4 |
10 |
|
E |
48 |
13 |
30904 |
◊ |
C |
x,y,z |
1_555 |
66 |
20 |
30758 |
540.2 |
-3.7 |
0.184 |
9 |
1 |
0 |
0.000 |
11 |
|
C |
43 |
12 |
30758 |
◊ |
A |
x,y,z |
1_555 |
62 |
19 |
31332 |
494.2 |
-3.0 |
0.237 |
11 |
2 |
0 |
0.000 |
12 |
|
E |
59 |
18 |
30904 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
31332 |
485.5 |
-3.1 |
0.222 |
8 |
1 |
0 |
0.000 |
| Average: |
506.6 |
-3.3 |
0.214 |
9 |
1 |
0 |
0.000 |
| 5 |
13 |
|
F |
44 |
16 |
16290 |
◊ |
C |
x,y,z |
1_555 |
53 |
17 |
30758 |
455.9 |
0.6 |
0.735 |
9 |
3 |
0 |
0.000 |
14 |
|
B |
41 |
13 |
16330 |
◊ |
E |
x,y,z |
1_555 |
49 |
15 |
30904 |
440.2 |
0.4 |
0.702 |
9 |
3 |
0 |
0.000 |
15 |
|
D |
42 |
13 |
16154 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
31332 |
437.3 |
1.0 |
0.751 |
8 |
4 |
0 |
0.000 |
| Average: |
444.5 |
0.7 |
0.729 |
9 |
3 |
0 |
0.000 |
| 6 |
16 |
|
[SF4]E:1001 |
8 |
1 |
300 |
f |
E |
x,y,z |
1_555 |
30 |
16 |
30904 |
199.1 |
-22.0 |
0.281 |
1 |
0 |
0 |
0.083 |
17 |
|
[SF4]C:1001 |
8 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
32 |
15 |
30758 |
196.3 |
-22.4 |
0.307 |
1 |
0 |
0 |
0.083 |
| Average: |
197.7 |
-22.2 |
0.294 |
1 |
0 |
0 |
0.083 |
| 7 |
18 |
|
[SF4]A:1001 |
8 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
31332 |
196.9 |
-22.2 |
0.292 |
1 |
0 |
0 |
0.084 |
| 8 |
19 |
|
[SF4]F:402 |
8 |
1 |
300 |
f |
F |
x,y,z |
1_555 |
31 |
15 |
16290 |
187.5 |
-22.8 |
0.405 |
1 |
0 |
0 |
0.087 |
20 |
|
[SF4]B:402 |
8 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
30 |
15 |
16330 |
186.7 |
-22.6 |
0.373 |
2 |
0 |
0 |
0.087 |
21 |
|
[SF4]D:403 |
8 |
1 |
298 |
f |
D |
x,y,z |
1_555 |
28 |
15 |
16154 |
186.0 |
-22.8 |
0.456 |
1 |
0 |
0 |
0.087 |
| Average: |
186.7 |
-22.7 |
0.411 |
1 |
0 |
0 |
0.087 |
| 9 |
22 |
|
[SF4]D:404 |
8 |
1 |
299 |
f |
D |
x,y,z |
1_555 |
28 |
16 |
16154 |
184.7 |
-21.1 |
0.664 |
0 |
0 |
0 |
0.085 |
23 |
|
[SF4]B:403 |
8 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
28 |
16 |
16330 |
183.5 |
-22.4 |
0.366 |
1 |
0 |
0 |
0.085 |
24 |
|
[SF4]F:403 |
8 |
1 |
299 |
f |
F |
x,y,z |
1_555 |
27 |
16 |
16290 |
182.8 |
-22.4 |
0.387 |
1 |
0 |
0 |
0.085 |
| Average: |
183.7 |
-22.0 |
0.472 |
1 |
0 |
0 |
0.085 |
| 10 |
25 |
|
[SF4]D:405 |
8 |
1 |
299 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
16154 |
184.3 |
-22.7 |
0.415 |
1 |
0 |
0 |
0.084 |
26 |
|
[SF4]F:404 |
8 |
1 |
298 |
f |
F |
x,y,z |
1_555 |
26 |
13 |
16290 |
180.7 |
-21.9 |
0.426 |
1 |
0 |
0 |
0.084 |
| Average: |
182.5 |
-22.3 |
0.421 |
1 |
0 |
0 |
0.084 |
| 11 |
27 |
|
[SF4]B:404 |
8 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
16330 |
179.6 |
-22.0 |
0.425 |
1 |
0 |
0 |
0.084 |
| 12 |
28 |
|
[F3S]B:401 |
7 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
28 |
16 |
16330 |
177.7 |
-18.2 |
0.587 |
5 |
0 |
0 |
0.076 |
29 |
|
[F3S]F:401 |
7 |
1 |
298 |
f |
F |
x,y,z |
1_555 |
24 |
15 |
16290 |
177.1 |
-18.6 |
0.404 |
5 |
0 |
0 |
0.076 |
30 |
|
[F3S]D:402 |
7 |
1 |
299 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
16154 |
176.0 |
-18.1 |
0.427 |
4 |
0 |
0 |
0.076 |
| Average: |
176.9 |
-18.3 |
0.473 |
5 |
0 |
0 |
0.076 |
| 13 |
31 |
|
A |
14 |
3 |
31332 |
◊ |
E |
x-1,y,z |
1_455 |
15 |
3 |
30904 |
117.9 |
1.3 |
0.777 |
2 |
2 |
0 |
0.000 |
| 14 |
32 |
|
[EDO]A:1006 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
31332 |
114.4 |
4.3 |
0.694 |
3 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[EDO]E:1006 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
21 |
11 |
30904 |
114.3 |
4.2 |
0.681 |
3 |
0 |
0 |
0.000 |
| 16 |
34 |
|
[EDO]B:407 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
16330 |
111.5 |
3.3 |
0.489 |
3 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[EDO]B:406 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
16330 |
111.2 |
3.2 |
0.509 |
3 |
0 |
0 |
0.000 |
| 18 |
36 |
|
[EDO]A:1007 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
31332 |
108.9 |
3.9 |
0.488 |
3 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[EDO]C:1005 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
30758 |
108.0 |
2.9 |
0.414 |
1 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[EDO]A:1005 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
31332 |
104.7 |
3.0 |
0.468 |
2 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[GOL]A:1010 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
31332 |
100.3 |
-0.9 |
0.446 |
2 |
0 |
0 |
0.007 |
| 22 |
40 |
|
[EDO]D:406 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
16154 |
100.1 |
3.5 |
0.692 |
5 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:405 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
16330 |
99.4 |
3.3 |
0.677 |
7 |
0 |
0 |
0.000 |
| Average: |
99.8 |
3.4 |
0.684 |
6 |
0 |
0 |
0.000 |
| 23 |
42 |
|
[ACT]C:1008 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
30758 |
99.8 |
0.0 |
0.732 |
1 |
0 |
0 |
0.002 |
| 24 |
43 |
|
[EDO]F:405 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
16290 |
98.8 |
3.3 |
0.672 |
6 |
0 |
0 |
0.000 |
| 25 |
44 |
|
[SO3]C:1009 |
4 |
1 |
173 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
30758 |
97.7 |
-0.5 |
0.618 |
1 |
0 |
0 |
0.004 |
| 26 |
45 |
|
[SO3]A:1013 |
4 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
31332 |
95.9 |
-0.1 |
0.687 |
1 |
0 |
0 |
0.002 |
| 27 |
46 |
|
[EDO]E:1007 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
15 |
4 |
30904 |
91.3 |
3.4 |
0.553 |
3 |
0 |
0 |
0.000 |
| 28 |
47 |
|
[EDO]A:1012 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
11 |
16330 |
84.9 |
2.2 |
0.471 |
1 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[NA]A:1008 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
31332 |
77.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.044 |
49 |
|
[NA]E:1009 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
30904 |
77.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.044 |
50 |
|
[NA]C:1007 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
30758 |
76.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
77.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.044 |
| 30 |
51 |
|
[NA]F:407 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
16290 |
76.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 31 |
52 |
|
[EDO]F:406 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
30904 |
72.6 |
1.6 |
0.204 |
0 |
0 |
0 |
0.000 |
| 32 |
53 |
|
[MO]E:1002 |
1 |
1 |
163 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
30904 |
62.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.019 |
54 |
|
[MO]A:1002 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
31332 |
60.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.019 |
55 |
|
[MO]C:1002 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
30758 |
60.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
61.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.019 |
| 33 |
56 |
|
[EDO]D:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
31332 |
61.5 |
2.1 |
0.311 |
1 |
0 |
0 |
0.000 |
57 |
|
[EDO]C:1006 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
30758 |
61.3 |
2.2 |
0.315 |
1 |
0 |
0 |
0.000 |
| Average: |
61.4 |
2.2 |
0.313 |
1 |
0 |
0 |
0.000 |
| 34 |
58 |
|
[EDO]E:1005 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
30904 |
60.8 |
2.2 |
0.316 |
1 |
0 |
0 |
0.000 |
| 35 |
59 |
|
[EDO]A:1012 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
31332 |
59.8 |
1.5 |
0.256 |
1 |
0 |
0 |
0.000 |
| 36 |
60 |
|
[MD1]A:1004 |
5 |
1 |
939 |
f |
[MGD]A:1003 |
x,y,z |
1_555 |
3 |
1 |
918 |
55.9 |
-4.3 |
0.149 |
2 |
0 |
0 |
0.019 |
61 |
|
[MD1]C:1004 |
3 |
1 |
937 |
f |
[MGD]C:1003 |
x,y,z |
1_555 |
4 |
1 |
921 |
55.8 |
-4.3 |
0.148 |
2 |
0 |
0 |
0.019 |
62 |
|
[MD1]E:1004 |
3 |
1 |
931 |
f |
[MGD]E:1003 |
x,y,z |
1_555 |
3 |
1 |
919 |
54.3 |
-4.2 |
0.126 |
2 |
0 |
0 |
0.019 |
| Average: |
55.3 |
-4.3 |
0.141 |
2 |
0 |
0 |
0.019 |
| 37 |
63 |
|
[SO3]C:1010 |
4 |
1 |
173 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
30758 |
54.9 |
0.7 |
0.711 |
1 |
0 |
0 |
0.000 |
| 38 |
64 |
|
[EDO]C:1006 |
3 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
30904 |
54.0 |
1.3 |
0.199 |
1 |
0 |
0 |
0.000 |
65 |
|
[EDO]D:401 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
30758 |
53.9 |
1.2 |
0.535 |
1 |
0 |
0 |
0.000 |
| Average: |
53.9 |
1.3 |
0.367 |
1 |
0 |
0 |
0.000 |
| 39 |
66 |
|
[EDO]E:1005 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
31332 |
53.2 |
1.2 |
0.566 |
1 |
0 |
0 |
0.000 |
| 40 |
67 |
|
[SO3]A:1013 |
3 |
1 |
174 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16330 |
52.7 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| 41 |
68 |
|
[SO3]C:1009 |
3 |
1 |
173 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
16154 |
52.3 |
0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
| 42 |
69 |
|
[SO3]A:1011 |
4 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
31332 |
51.0 |
0.6 |
0.753 |
1 |
0 |
0 |
0.000 |
70 |
|
[SO3]E:1008 |
4 |
1 |
173 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
30904 |
50.9 |
0.8 |
0.745 |
1 |
0 |
0 |
0.000 |
| Average: |
50.9 |
0.7 |
0.749 |
1 |
0 |
0 |
0.000 |
| 43 |
71 |
|
[EDO]E:1005 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
16330 |
49.4 |
1.4 |
0.914 |
2 |
0 |
0 |
0.000 |
| 44 |
72 |
|
[EDO]D:401 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
16154 |
48.6 |
1.3 |
0.898 |
2 |
0 |
0 |
0.000 |
73 |
|
[EDO]C:1006 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
16290 |
46.2 |
1.4 |
0.913 |
2 |
0 |
0 |
0.000 |
| Average: |
47.4 |
1.3 |
0.906 |
2 |
0 |
0 |
0.000 |
| 45 |
74 |
|
[MD1]A:1004 |
3 |
1 |
939 |
f |
[MO]A:1002 |
x,y,z |
1_555 |
1 |
1 |
163 |
45.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.015 |
75 |
|
[MD1]C:1004 |
2 |
1 |
937 |
f |
[MO]C:1002 |
x,y,z |
1_555 |
1 |
1 |
163 |
44.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.015 |
76 |
|
[MD1]E:1004 |
2 |
1 |
931 |
f |
[MO]E:1002 |
x,y,z |
1_555 |
1 |
1 |
163 |
44.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
44.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| 46 |
77 |
|
[MGD]A:1003 |
2 |
1 |
918 |
f |
[MO]A:1002 |
x,y,z |
1_555 |
1 |
1 |
163 |
43.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
78 |
|
[MGD]C:1003 |
2 |
1 |
921 |
f |
[MO]C:1002 |
x,y,z |
1_555 |
1 |
1 |
163 |
43.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
79 |
|
[MGD]E:1003 |
2 |
1 |
919 |
f |
[MO]E:1002 |
x,y,z |
1_555 |
1 |
1 |
163 |
43.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
43.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| 47 |
80 |
|
[EDO]A:1005 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
16330 |
42.9 |
1.5 |
0.897 |
0 |
0 |
0 |
0.000 |
| 48 |
81 |
|
[EDO]F:406 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
16290 |
42.1 |
1.1 |
0.743 |
0 |
0 |
0 |
0.000 |
| 49 |
82 |
|
[SO3]A:1011 |
2 |
1 |
174 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
16330 |
41.6 |
-0.0 |
0.527 |
1 |
0 |
0 |
0.002 |
83 |
|
[SO3]E:1008 |
3 |
1 |
173 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
16290 |
41.1 |
0.1 |
0.624 |
1 |
0 |
0 |
0.002 |
| Average: |
41.3 |
0.1 |
0.576 |
1 |
0 |
0 |
0.002 |
| 50 |
84 |
|
[SO3]C:1010 |
4 |
1 |
173 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
16154 |
40.3 |
0.1 |
0.702 |
1 |
0 |
0 |
0.001 |
| 51 |
85 |
|
[ZN]E:1010 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
30904 |
31.7 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.062 |
86 |
|
[ZN]A:1009 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
31332 |
31.5 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.062 |
87 |
|
[ZN]C:1011 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
30758 |
31.2 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
31.5 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.062 |
| 52 |
88 |
|
[ZN]C:1011 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16154 |
29.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.044 |
89 |
|
[ZN]E:1010 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
16290 |
28.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.044 |
90 |
|
[ZN]A:1009 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16330 |
28.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
28.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 53 |
91 |
|
[GOL]A:1010 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16330 |
29.1 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
| 54 |
92 |
|
[EDO]F:405 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
30758 |
27.7 |
1.1 |
0.871 |
0 |
0 |
0 |
0.000 |
| 55 |
93 |
|
[SO3]E:1008 |
4 |
1 |
173 |
f |
[ZN]E:1010 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.038 |
94 |
|
[SO3]A:1011 |
4 |
1 |
174 |
f |
[ZN]A:1009 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.038 |
95 |
|
[SO3]C:1010 |
4 |
1 |
173 |
f |
[ZN]C:1011 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
26.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| 56 |
96 |
|
A |
5 |
1 |
31332 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
1 |
16290 |
24.5 |
-0.5 |
0.427 |
0 |
0 |
0 |
0.000 |
| 57 |
97 |
|
[EDO]B:405 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
30904 |
23.9 |
0.9 |
0.841 |
0 |
0 |
0 |
0.000 |
98 |
|
[EDO]D:406 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
31332 |
21.4 |
0.8 |
0.867 |
0 |
0 |
0 |
0.000 |
| Average: |
22.6 |
0.9 |
0.854 |
0 |
0 |
0 |
0.000 |
| 58 |
99 |
|
[NA]A:1008 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16330 |
5.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
100 |
|
[NA]C:1007 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16154 |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
101 |
|
[NA]E:1009 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
16290 |
4.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
4.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 59 |
102 |
|
[SF4]B:403 |
1 |
1 |
300 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
31332 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
103 |
|
[SF4]D:404 |
1 |
1 |
299 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
30758 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
104 |
|
[SF4]F:403 |
1 |
1 |
299 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
30904 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
|