## |
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 |
320 |
73 |
11303 |
◊ |
A |
x,y,z |
1_555 |
324 |
74 |
11312 |
3232.0 |
-48.9 |
0.189 |
39 |
12 |
0 |
0.593 |
2 |
|
J |
325 |
73 |
11303 |
◊ |
I |
x,y,z |
1_555 |
323 |
72 |
11302 |
3227.7 |
-49.5 |
0.180 |
38 |
11 |
0 |
0.593 |
3 |
|
H |
320 |
72 |
11257 |
◊ |
C |
x,y,z |
1_555 |
323 |
73 |
11280 |
3227.5 |
-48.6 |
0.206 |
38 |
13 |
0 |
0.593 |
4 |
|
G |
326 |
73 |
11306 |
◊ |
E |
x,y,z |
1_555 |
317 |
73 |
11279 |
3223.5 |
-48.5 |
0.177 |
39 |
12 |
0 |
0.593 |
5 |
|
F |
327 |
73 |
11252 |
◊ |
B |
x,y,z |
1_555 |
319 |
74 |
11322 |
3221.6 |
-48.8 |
0.189 |
38 |
12 |
0 |
0.593 |
Average: |
3226.5 |
-48.9 |
0.188 |
38 |
12 |
0 |
0.593 |
2 |
6 |
|
J |
142 |
39 |
11303 |
◊ |
A |
x,y,z |
1_555 |
142 |
39 |
11312 |
1412.6 |
-23.8 |
0.205 |
8 |
8 |
0 |
0.157 |
7 |
|
H |
148 |
39 |
11257 |
◊ |
G |
x,y,z |
1_555 |
143 |
39 |
11306 |
1410.7 |
-24.4 |
0.203 |
8 |
8 |
0 |
0.157 |
8 |
|
D |
145 |
39 |
11303 |
◊ |
B |
x,y,z |
1_555 |
142 |
39 |
11322 |
1404.1 |
-24.2 |
0.187 |
8 |
8 |
0 |
0.157 |
9 |
|
F |
142 |
40 |
11252 |
◊ |
E |
x,y,z |
1_555 |
143 |
39 |
11279 |
1400.0 |
-24.5 |
0.166 |
8 |
8 |
0 |
0.157 |
10 |
|
I |
144 |
39 |
11302 |
◊ |
C |
x,y,z |
1_555 |
141 |
39 |
11280 |
1398.5 |
-24.1 |
0.189 |
8 |
8 |
0 |
0.157 |
Average: |
1405.2 |
-24.2 |
0.190 |
8 |
8 |
0 |
0.157 |
3 |
11 |
|
E |
80 |
25 |
11279 |
◊ |
B |
x,y,z |
1_555 |
92 |
28 |
11322 |
826.0 |
-7.0 |
0.672 |
9 |
5 |
0 |
0.128 |
12 |
|
J |
95 |
28 |
11303 |
◊ |
C |
x,y,z |
1_555 |
80 |
25 |
11280 |
824.6 |
-7.5 |
0.679 |
8 |
6 |
0 |
0.128 |
13 |
|
G |
93 |
28 |
11306 |
◊ |
F |
x,y,z |
1_555 |
80 |
25 |
11252 |
824.1 |
-7.1 |
0.694 |
8 |
7 |
0 |
0.128 |
14 |
|
G |
78 |
25 |
11306 |
◊ |
C |
x,y,z |
1_555 |
91 |
28 |
11280 |
820.5 |
-7.2 |
0.679 |
9 |
6 |
0 |
0.128 |
15 |
|
I |
89 |
28 |
11302 |
◊ |
A |
x,y,z |
1_555 |
80 |
25 |
11312 |
817.0 |
-7.3 |
0.659 |
8 |
6 |
0 |
0.128 |
16 |
|
I |
79 |
25 |
11302 |
◊ |
H |
x,y,z |
1_555 |
89 |
27 |
11257 |
814.6 |
-7.5 |
0.643 |
8 |
6 |
0 |
0.128 |
17 |
|
F |
91 |
28 |
11252 |
◊ |
D |
x,y,z |
1_555 |
81 |
25 |
11303 |
812.3 |
-7.4 |
0.672 |
8 |
5 |
0 |
0.128 |
18 |
|
B |
76 |
24 |
11322 |
◊ |
A |
x,y,z |
1_555 |
93 |
28 |
11312 |
812.3 |
-7.5 |
0.633 |
8 |
6 |
0 |
0.128 |
19 |
|
J |
79 |
25 |
11303 |
◊ |
D |
x,y,z |
1_555 |
91 |
28 |
11303 |
805.3 |
-7.2 |
0.686 |
8 |
7 |
0 |
0.128 |
20 |
|
H |
80 |
25 |
11257 |
◊ |
E |
x,y,z |
1_555 |
91 |
27 |
11279 |
802.0 |
-7.2 |
0.678 |
8 |
6 |
0 |
0.128 |
Average: |
815.9 |
-7.3 |
0.669 |
8 |
6 |
0 |
0.128 |
4 |
21 |
|
D |
38 |
10 |
11303 |
◊ |
E |
x,y-1,z+1 |
1_546 |
41 |
11 |
11279 |
340.2 |
-2.1 |
0.720 |
2 |
3 |
0 |
0.000 |
5 |
22 |
|
F |
34 |
9 |
11252 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
11312 |
284.4 |
-2.1 |
0.771 |
4 |
8 |
0 |
0.027 |
23 |
|
G |
34 |
9 |
11306 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
11322 |
282.5 |
-1.9 |
0.782 |
4 |
8 |
0 |
0.027 |
24 |
|
I |
34 |
9 |
11302 |
◊ |
D |
x,y,z |
1_555 |
34 |
9 |
11303 |
282.0 |
-1.9 |
0.780 |
4 |
8 |
0 |
0.027 |
25 |
|
J |
34 |
9 |
11303 |
◊ |
H |
x,y,z |
1_555 |
34 |
9 |
11257 |
281.1 |
-2.0 |
0.780 |
4 |
8 |
0 |
0.027 |
26 |
|
E |
33 |
9 |
11279 |
◊ |
C |
x,y,z |
1_555 |
34 |
9 |
11280 |
279.6 |
-2.0 |
0.774 |
4 |
8 |
0 |
0.027 |
Average: |
281.9 |
-2.0 |
0.777 |
4 |
8 |
0 |
0.027 |
6 |
27 |
|
A |
20 |
8 |
11312 |
◊ |
E |
x,y-1,z |
1_545 |
16 |
5 |
11279 |
159.0 |
-1.6 |
0.575 |
0 |
0 |
0 |
0.000 |
28 |
|
F |
14 |
4 |
11252 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
7 |
11280 |
140.2 |
-2.5 |
0.411 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
16 |
6 |
11303 |
◊ |
G |
x,y-1,z |
1_545 |
15 |
7 |
11306 |
140.0 |
-2.5 |
0.410 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
16 |
7 |
11322 |
◊ |
H |
x-1,y,z |
1_455 |
14 |
4 |
11257 |
139.1 |
-2.5 |
0.394 |
0 |
0 |
0 |
0.000 |
Average: |
144.6 |
-2.3 |
0.448 |
0 |
0 |
0 |
0.000 |
7 |
31 |
|
D |
9 |
2 |
11303 |
◊ |
H |
x,y-1,z |
1_545 |
12 |
3 |
11257 |
81.2 |
-1.5 |
0.468 |
0 |
0 |
0 |
0.000 |
32 |
|
J |
12 |
3 |
11303 |
◊ |
E |
x,y-1,z |
1_545 |
8 |
2 |
11279 |
80.1 |
-1.5 |
0.445 |
0 |
0 |
0 |
0.000 |
33 |
|
D |
10 |
3 |
11303 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
2 |
11257 |
74.6 |
-1.4 |
0.479 |
0 |
0 |
0 |
0.000 |
34 |
|
F |
7 |
2 |
11252 |
◊ |
I |
x-1,y,z |
1_455 |
11 |
3 |
11302 |
70.5 |
-1.3 |
0.460 |
0 |
0 |
0 |
0.000 |
Average: |
76.6 |
-1.4 |
0.463 |
0 |
0 |
0 |
0.000 |
8 |
35 |
|
[SO4]J:1158 |
5 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
11303 |
81.0 |
-11.9 |
0.804 |
2 |
0 |
0 |
0.196 |
36 |
|
[SO4]I:1159 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
12 |
5 |
11302 |
78.8 |
-11.3 |
0.823 |
2 |
0 |
0 |
0.196 |
Average: |
79.9 |
-11.6 |
0.813 |
2 |
0 |
0 |
0.196 |
9 |
37 |
|
[SO4]D:1159 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11303 |
80.9 |
-11.8 |
0.795 |
3 |
0 |
0 |
0.114 |
10 |
38 |
|
[SO4]F:1159 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
11252 |
80.0 |
-11.6 |
0.826 |
3 |
0 |
0 |
0.110 |
11 |
39 |
|
[SO4]H:1158 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
11257 |
79.2 |
-11.7 |
0.830 |
5 |
0 |
0 |
0.120 |
12 |
40 |
|
[SO4]E:1159 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
11279 |
77.4 |
-11.0 |
0.827 |
3 |
0 |
0 |
0.109 |
13 |
41 |
|
[SO4]H:1157 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
11257 |
75.8 |
-10.1 |
0.788 |
1 |
0 |
0 |
0.162 |
42 |
|
[SO4]F:1158 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
11252 |
73.2 |
-9.3 |
0.822 |
1 |
0 |
0 |
0.162 |
43 |
|
[SO4]J:1157 |
5 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
11303 |
67.4 |
-8.7 |
0.769 |
1 |
0 |
0 |
0.162 |
44 |
|
[SO4]G:1158 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
11306 |
67.2 |
-9.0 |
0.776 |
1 |
0 |
0 |
0.162 |
45 |
|
[SO4]I:1157 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
11 |
6 |
11302 |
66.5 |
-8.6 |
0.773 |
1 |
0 |
0 |
0.162 |
46 |
|
[SO4]B:1157 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11322 |
66.3 |
-8.8 |
0.768 |
1 |
0 |
0 |
0.162 |
Average: |
69.4 |
-9.1 |
0.783 |
1 |
0 |
0 |
0.162 |
14 |
47 |
|
[SO4]D:1158 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
11303 |
67.5 |
-8.9 |
0.776 |
1 |
0 |
0 |
0.100 |
48 |
|
[SO4]E:1157 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
11279 |
65.4 |
-8.5 |
0.777 |
1 |
0 |
0 |
0.100 |
49 |
|
[SO4]C:1158 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
11280 |
64.3 |
-8.5 |
0.782 |
1 |
0 |
0 |
0.100 |
Average: |
65.7 |
-8.6 |
0.778 |
1 |
0 |
0 |
0.100 |
15 |
50 |
|
J |
7 |
2 |
11303 |
◊ |
H |
x,y-1,z+1 |
1_546 |
11 |
3 |
11257 |
66.0 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
16 |
51 |
|
[SO4]A:1158 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11312 |
64.3 |
-8.4 |
0.775 |
1 |
0 |
0 |
0.089 |
17 |
52 |
|
[OXL]D:1157 |
6 |
1 |
200 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11322 |
63.8 |
-0.2 |
0.320 |
2 |
0 |
0 |
0.011 |
53 |
|
[OXL]A:1157 |
6 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
11312 |
63.6 |
-0.2 |
0.308 |
2 |
0 |
0 |
0.011 |
54 |
|
[OXL]C:1157 |
6 |
1 |
197 |
f |
I |
x,y,z |
1_555 |
7 |
5 |
11302 |
62.0 |
-0.2 |
0.291 |
2 |
0 |
0 |
0.011 |
Average: |
63.2 |
-0.2 |
0.307 |
2 |
0 |
0 |
0.011 |
18 |
55 |
|
[OXL]G:1157 |
6 |
1 |
197 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
11306 |
63.6 |
-0.4 |
0.320 |
2 |
0 |
0 |
0.011 |
56 |
|
[OXL]F:1157 |
6 |
1 |
199 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
11252 |
61.2 |
-0.4 |
0.301 |
2 |
0 |
0 |
0.011 |
Average: |
62.4 |
-0.4 |
0.311 |
2 |
0 |
0 |
0.011 |
19 |
57 |
|
[OXL]F:1157 |
6 |
1 |
199 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
11279 |
63.6 |
0.0 |
0.299 |
2 |
0 |
0 |
0.002 |
58 |
|
[OXL]G:1157 |
6 |
1 |
197 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
11257 |
62.5 |
-0.0 |
0.310 |
2 |
0 |
0 |
0.002 |
Average: |
63.0 |
-0.0 |
0.304 |
2 |
0 |
0 |
0.002 |
20 |
59 |
|
[OXL]D:1157 |
6 |
1 |
200 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
11303 |
63.5 |
0.4 |
0.444 |
2 |
0 |
0 |
0.002 |
60 |
|
[OXL]C:1157 |
6 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
11280 |
62.6 |
0.4 |
0.483 |
2 |
0 |
0 |
0.002 |
61 |
|
[OXL]A:1157 |
6 |
1 |
199 |
◊ |
J |
x,y,z |
1_555 |
8 |
5 |
11303 |
60.4 |
0.4 |
0.447 |
2 |
0 |
0 |
0.002 |
Average: |
62.2 |
0.4 |
0.458 |
2 |
0 |
0 |
0.002 |
21 |
62 |
|
[SO4]I:1158 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
11257 |
55.4 |
-6.7 |
0.798 |
2 |
0 |
0 |
0.066 |
22 |
63 |
|
[SO4]A:1159 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
11303 |
54.8 |
-6.6 |
0.825 |
2 |
0 |
0 |
0.064 |
64 |
|
[SO4]B:1158 |
5 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
11252 |
53.9 |
-6.6 |
0.800 |
2 |
0 |
0 |
0.064 |
Average: |
54.3 |
-6.6 |
0.812 |
2 |
0 |
0 |
0.064 |
23 |
65 |
|
[SO4]A:1160 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
11302 |
54.0 |
-6.6 |
0.789 |
1 |
0 |
0 |
0.055 |
24 |
66 |
|
[SO4]E:1158 |
5 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
11279 |
53.5 |
-6.5 |
0.810 |
1 |
0 |
0 |
0.061 |
25 |
67 |
|
[SO4]I:1158 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11280 |
52.9 |
-6.3 |
0.811 |
2 |
0 |
0 |
0.062 |
26 |
68 |
|
[SO4]E:1158 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
11306 |
52.8 |
-6.4 |
0.821 |
2 |
0 |
0 |
0.064 |
27 |
69 |
|
[SO4]A:1160 |
5 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
11 |
3 |
11303 |
52.4 |
-6.4 |
0.813 |
2 |
0 |
0 |
0.057 |
28 |
70 |
|
[SO4]A:1159 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
11312 |
52.2 |
-6.2 |
0.793 |
2 |
0 |
0 |
0.062 |
71 |
|
[SO4]B:1158 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11322 |
51.7 |
-6.3 |
0.786 |
2 |
0 |
0 |
0.062 |
Average: |
52.0 |
-6.3 |
0.790 |
2 |
0 |
0 |
0.062 |
29 |
72 |
|
[SO4]I:1158 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
11302 |
32.9 |
-2.6 |
0.975 |
2 |
0 |
0 |
0.004 |
30 |
73 |
|
[SO4]A:1160 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11312 |
32.2 |
-2.5 |
0.975 |
3 |
0 |
0 |
0.012 |
74 |
|
[SO4]A:1159 |
4 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
11303 |
31.4 |
-2.5 |
0.977 |
3 |
0 |
0 |
0.012 |
75 |
|
[SO4]B:1158 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11303 |
31.2 |
-2.6 |
0.975 |
2 |
0 |
0 |
0.012 |
Average: |
31.6 |
-2.5 |
0.976 |
3 |
0 |
0 |
0.012 |
31 |
76 |
|
[SO4]A:1159 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11322 |
31.7 |
-2.5 |
0.972 |
3 |
0 |
0 |
0.008 |
77 |
|
[SO4]B:1158 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11279 |
29.5 |
-2.4 |
0.970 |
2 |
0 |
0 |
0.008 |
Average: |
30.6 |
-2.5 |
0.971 |
3 |
0 |
0 |
0.008 |
32 |
78 |
|
[SO4]E:1158 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11252 |
31.4 |
-2.5 |
0.974 |
2 |
0 |
0 |
0.004 |
33 |
79 |
|
[SO4]E:1158 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11257 |
31.2 |
-2.6 |
0.976 |
3 |
0 |
0 |
0.004 |
34 |
80 |
|
[OXL]A:1157 |
4 |
1 |
199 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
11302 |
30.8 |
0.6 |
0.349 |
2 |
0 |
0 |
0.001 |
81 |
|
[OXL]C:1157 |
4 |
1 |
197 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11257 |
30.2 |
0.5 |
0.350 |
2 |
0 |
0 |
0.001 |
82 |
|
[OXL]D:1157 |
4 |
1 |
200 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11312 |
30.0 |
0.6 |
0.350 |
2 |
0 |
0 |
0.001 |
Average: |
30.3 |
0.6 |
0.350 |
2 |
0 |
0 |
0.001 |
35 |
83 |
|
[SO4]A:1160 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11280 |
30.5 |
-2.3 |
0.976 |
3 |
0 |
0 |
0.004 |
36 |
84 |
|
[OXL]G:1157 |
4 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11280 |
30.5 |
1.0 |
0.676 |
2 |
0 |
0 |
0.000 |
85 |
|
[OXL]F:1157 |
4 |
1 |
199 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
11306 |
30.0 |
0.9 |
0.674 |
2 |
0 |
0 |
0.000 |
Average: |
30.2 |
0.9 |
0.675 |
2 |
0 |
0 |
0.000 |
37 |
86 |
|
[OXL]A:1157 |
4 |
1 |
199 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11303 |
30.3 |
0.4 |
0.349 |
2 |
0 |
0 |
0.005 |
87 |
|
[OXL]D:1157 |
4 |
1 |
200 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
11252 |
30.3 |
0.4 |
0.351 |
2 |
0 |
0 |
0.005 |
88 |
|
[OXL]C:1157 |
4 |
1 |
197 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
11303 |
30.1 |
0.4 |
0.350 |
2 |
0 |
0 |
0.005 |
Average: |
30.3 |
0.4 |
0.350 |
2 |
0 |
0 |
0.005 |
38 |
89 |
|
[OXL]G:1157 |
4 |
1 |
197 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
11279 |
30.1 |
1.0 |
0.594 |
2 |
0 |
0 |
0.000 |
90 |
|
[OXL]F:1157 |
4 |
1 |
199 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11322 |
29.8 |
0.9 |
0.592 |
2 |
0 |
0 |
0.000 |
Average: |
30.0 |
0.9 |
0.593 |
2 |
0 |
0 |
0.000 |
39 |
91 |
|
[SO4]I:1158 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11306 |
29.2 |
-2.4 |
0.975 |
2 |
0 |
0 |
0.004 |
40 |
92 |
|
[SO4]E:1158 |
3 |
1 |
184 |
◊ |
[SO4]B:1158 |
x,y,z |
1_555 |
4 |
1 |
183 |
7.8 |
-1.4 |
0.995 |
0 |
0 |
0 |
0.002 |
41 |
93 |
|
[SO4]I:1158 |
3 |
1 |
186 |
◊ |
[SO4]A:1160 |
x,y,z |
1_555 |
4 |
1 |
186 |
7.7 |
-1.4 |
0.995 |
0 |
0 |
0 |
0.001 |
42 |
94 |
|
[SO4]B:1158 |
3 |
1 |
183 |
◊ |
[SO4]A:1159 |
x,y,z |
1_555 |
4 |
1 |
184 |
7.6 |
-1.4 |
0.995 |
0 |
0 |
0 |
0.002 |
43 |
95 |
|
[SO4]A:1160 |
4 |
1 |
186 |
◊ |
[SO4]A:1159 |
x,y,z |
1_555 |
4 |
1 |
184 |
7.6 |
-1.4 |
0.998 |
0 |
0 |
0 |
0.001 |
44 |
96 |
|
[SO4]I:1158 |
4 |
1 |
186 |
◊ |
[SO4]E:1158 |
x,y,z |
1_555 |
3 |
1 |
184 |
6.5 |
-1.1 |
0.995 |
0 |
0 |
0 |
0.001 |
45 |
97 |
|
[SO4]D:1158 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11312 |
2.9 |
-0.2 |
0.916 |
0 |
0 |
0 |
0.003 |
98 |
|
[SO4]I:1157 |
1 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
11303 |
2.7 |
-0.2 |
0.914 |
0 |
0 |
0 |
0.003 |
99 |
|
[SO4]J:1157 |
1 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
11302 |
2.2 |
-0.2 |
0.903 |
0 |
0 |
0 |
0.003 |
100 |
|
[SO4]E:1157 |
1 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11306 |
2.2 |
-0.2 |
0.903 |
0 |
0 |
0 |
0.003 |
101 |
|
[SO4]C:1158 |
1 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11257 |
1.7 |
-0.1 |
0.896 |
0 |
0 |
0 |
0.003 |
102 |
|
[SO4]G:1158 |
1 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
11279 |
0.8 |
-0.1 |
0.867 |
0 |
0 |
0 |
0.003 |
Average: |
2.1 |
-0.2 |
0.900 |
0 |
0 |
0 |
0.003 |
46 |
103 |
|
[SO4]A:1158 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11303 |
2.3 |
-0.2 |
0.909 |
0 |
0 |
0 |
0.002 |
47 |
104 |
|
[SO4]F:1158 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11322 |
2.2 |
-0.2 |
0.902 |
0 |
0 |
0 |
0.002 |
48 |
105 |
|
[SO4]B:1157 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11252 |
2.0 |
-0.2 |
0.899 |
0 |
0 |
0 |
0.002 |
106 |
|
[SO4]H:1157 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11280 |
0.8 |
-0.1 |
0.864 |
0 |
0 |
0 |
0.002 |
Average: |
1.4 |
-0.1 |
0.882 |
0 |
0 |
0 |
0.002 |
|