| ## |
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 |
|
F |
124 |
35 |
11916 |
◊ |
D |
x,y,z |
1_555 |
133 |
36 |
11865 |
1236.1 |
-14.5 |
0.233 |
18 |
6 |
0 |
0.388 |
2 |
|
L |
125 |
35 |
11997 |
◊ |
J |
x,y,z |
1_555 |
125 |
35 |
12009 |
1231.8 |
-15.4 |
0.133 |
15 |
6 |
0 |
0.388 |
3 |
|
H |
131 |
37 |
11875 |
◊ |
G |
x,y,z |
1_555 |
127 |
36 |
11901 |
1229.5 |
-14.3 |
0.219 |
16 |
7 |
0 |
0.388 |
4 |
|
C |
125 |
35 |
12148 |
◊ |
A |
x,y,z |
1_555 |
134 |
37 |
11770 |
1225.4 |
-13.0 |
0.267 |
16 |
7 |
0 |
0.388 |
5 |
|
K |
133 |
36 |
12035 |
◊ |
J |
x,y,z |
1_555 |
122 |
35 |
12009 |
1223.0 |
-14.6 |
0.157 |
18 |
6 |
0 |
0.388 |
6 |
|
C |
130 |
36 |
12148 |
◊ |
B |
x,y,z |
1_555 |
124 |
35 |
11889 |
1219.4 |
-14.2 |
0.179 |
16 |
6 |
0 |
0.388 |
7 |
|
F |
131 |
36 |
11916 |
◊ |
E |
x,y,z |
1_555 |
122 |
34 |
11968 |
1212.8 |
-13.8 |
0.228 |
17 |
7 |
0 |
0.388 |
8 |
|
I |
127 |
35 |
12145 |
◊ |
H |
x,y,z |
1_555 |
124 |
35 |
11875 |
1210.8 |
-13.9 |
0.192 |
18 |
7 |
0 |
0.388 |
9 |
|
L |
126 |
35 |
11997 |
◊ |
K |
x,y,z |
1_555 |
121 |
34 |
12035 |
1206.6 |
-15.1 |
0.139 |
14 |
7 |
0 |
0.388 |
10 |
|
I |
123 |
34 |
12145 |
◊ |
G |
x,y,z |
1_555 |
130 |
35 |
11901 |
1199.3 |
-14.5 |
0.154 |
17 |
6 |
0 |
0.388 |
11 |
|
E |
124 |
35 |
11968 |
◊ |
D |
x,y,z |
1_555 |
121 |
35 |
11865 |
1190.3 |
-12.9 |
0.275 |
18 |
7 |
0 |
0.388 |
12 |
|
B |
120 |
34 |
11889 |
◊ |
A |
x,y,z |
1_555 |
118 |
34 |
11770 |
1184.2 |
-14.2 |
0.187 |
16 |
7 |
0 |
0.388 |
| Average: |
1214.1 |
-14.2 |
0.197 |
17 |
7 |
0 |
0.388 |
| 2 |
13 |
|
I |
101 |
26 |
12145 |
◊ |
F |
x,y,z |
1_555 |
104 |
27 |
11916 |
1005.3 |
-19.9 |
0.019 |
8 |
0 |
0 |
0.255 |
14 |
|
H |
99 |
26 |
11875 |
◊ |
D |
x,y,z |
1_555 |
103 |
26 |
11865 |
1004.3 |
-20.8 |
0.018 |
7 |
0 |
0 |
0.255 |
15 |
|
K |
101 |
26 |
12035 |
◊ |
A |
x,y,z |
1_555 |
105 |
26 |
11770 |
1004.2 |
-20.0 |
0.022 |
7 |
0 |
0 |
0.255 |
16 |
|
L |
101 |
26 |
11997 |
◊ |
C |
x,y,z |
1_555 |
102 |
26 |
12148 |
1003.7 |
-20.2 |
0.013 |
6 |
0 |
0 |
0.255 |
17 |
|
G |
104 |
26 |
11901 |
◊ |
E |
x,y,z |
1_555 |
102 |
26 |
11968 |
1001.0 |
-20.0 |
0.020 |
8 |
0 |
0 |
0.255 |
18 |
|
J |
101 |
26 |
12009 |
◊ |
B |
x,y,z |
1_555 |
100 |
26 |
11889 |
994.5 |
-20.0 |
0.015 |
7 |
0 |
0 |
0.255 |
| Average: |
1002.2 |
-20.2 |
0.018 |
7 |
0 |
0 |
0.255 |
| 3 |
19 |
|
D |
43 |
10 |
11865 |
◊ |
I |
x-1,y,z |
1_455 |
44 |
11 |
12145 |
384.2 |
-1.5 |
0.663 |
4 |
2 |
0 |
0.000 |
20 |
|
C |
42 |
10 |
12148 |
◊ |
J |
x,y-1,z |
1_545 |
40 |
10 |
12009 |
373.8 |
-1.4 |
0.644 |
2 |
4 |
0 |
0.000 |
21 |
|
E |
38 |
9 |
11968 |
◊ |
H |
x,y,z-1 |
1_554 |
42 |
10 |
11875 |
368.8 |
-1.7 |
0.621 |
3 |
2 |
0 |
0.000 |
22 |
|
B |
43 |
10 |
11889 |
◊ |
K |
x,y,z-1 |
1_554 |
43 |
10 |
12035 |
368.3 |
-1.6 |
0.644 |
3 |
3 |
0 |
0.000 |
23 |
|
F |
44 |
10 |
11916 |
◊ |
G |
x,y-1,z |
1_545 |
46 |
10 |
11901 |
366.1 |
-0.8 |
0.725 |
2 |
4 |
0 |
0.000 |
24 |
|
A |
41 |
10 |
11770 |
◊ |
L |
x-1,y,z |
1_455 |
45 |
10 |
11997 |
365.2 |
-1.4 |
0.690 |
4 |
4 |
0 |
0.000 |
| Average: |
371.1 |
-1.4 |
0.664 |
3 |
3 |
0 |
0.000 |
| 4 |
25 |
|
J |
36 |
11 |
12009 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
11770 |
348.1 |
1.2 |
0.875 |
4 |
0 |
0 |
0.008 |
26 |
|
H |
32 |
11 |
11875 |
◊ |
F |
x,y,z |
1_555 |
33 |
11 |
11916 |
323.9 |
0.7 |
0.836 |
4 |
0 |
0 |
0.008 |
27 |
|
L |
32 |
11 |
11997 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
11889 |
320.7 |
0.6 |
0.830 |
4 |
0 |
0 |
0.008 |
28 |
|
I |
32 |
11 |
12145 |
◊ |
E |
x,y,z |
1_555 |
32 |
10 |
11968 |
317.6 |
0.6 |
0.809 |
4 |
0 |
0 |
0.008 |
29 |
|
G |
32 |
11 |
11901 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
11865 |
316.4 |
-0.2 |
0.780 |
3 |
0 |
0 |
0.008 |
30 |
|
K |
33 |
11 |
12035 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
12148 |
315.2 |
0.7 |
0.818 |
4 |
0 |
0 |
0.008 |
| Average: |
323.7 |
0.6 |
0.825 |
4 |
0 |
0 |
0.008 |
| 5 |
31 |
|
[MTA]I:4027 |
20 |
1 |
470 |
f |
I |
x,y,z |
1_555 |
47 |
22 |
12145 |
279.7 |
-1.7 |
0.381 |
4 |
0 |
0 |
0.078 |
32 |
|
[MTA]B:4006 |
20 |
1 |
472 |
f |
B |
x,y,z |
1_555 |
48 |
22 |
11889 |
278.1 |
-1.8 |
0.396 |
4 |
0 |
0 |
0.078 |
33 |
|
[MTA]G:4021 |
20 |
1 |
471 |
f |
G |
x,y,z |
1_555 |
49 |
22 |
11901 |
277.2 |
-1.5 |
0.421 |
4 |
0 |
0 |
0.078 |
34 |
|
[MTA]J:4030 |
20 |
1 |
470 |
f |
J |
x,y,z |
1_555 |
49 |
22 |
12009 |
277.1 |
-1.6 |
0.423 |
4 |
0 |
0 |
0.078 |
35 |
|
[MTA]L:4036 |
20 |
1 |
470 |
f |
L |
x,y,z |
1_555 |
48 |
22 |
11997 |
277.0 |
-1.8 |
0.386 |
4 |
0 |
0 |
0.078 |
36 |
|
[MTA]D:4012 |
20 |
1 |
470 |
f |
D |
x,y,z |
1_555 |
46 |
22 |
11865 |
276.9 |
-1.8 |
0.419 |
4 |
0 |
0 |
0.078 |
37 |
|
[MTA]K:4033 |
20 |
1 |
469 |
f |
K |
x,y,z |
1_555 |
49 |
22 |
12035 |
276.6 |
-1.7 |
0.399 |
4 |
0 |
0 |
0.078 |
38 |
|
[MTA]E:4015 |
20 |
1 |
471 |
f |
E |
x,y,z |
1_555 |
48 |
22 |
11968 |
276.6 |
-1.9 |
0.404 |
4 |
0 |
0 |
0.078 |
39 |
|
[MTA]C:4009 |
20 |
1 |
469 |
f |
C |
x,y,z |
1_555 |
49 |
22 |
12148 |
276.4 |
-1.1 |
0.461 |
4 |
0 |
0 |
0.078 |
40 |
|
[MTA]A:4003 |
20 |
1 |
467 |
f |
A |
x,y,z |
1_555 |
46 |
22 |
11770 |
275.8 |
-1.8 |
0.413 |
4 |
0 |
0 |
0.078 |
41 |
|
[MTA]F:4018 |
20 |
1 |
469 |
f |
F |
x,y,z |
1_555 |
48 |
22 |
11916 |
274.6 |
-1.6 |
0.437 |
4 |
0 |
0 |
0.078 |
42 |
|
[MTA]H:4024 |
20 |
1 |
468 |
f |
H |
x,y,z |
1_555 |
50 |
22 |
11875 |
274.6 |
-1.6 |
0.439 |
4 |
0 |
0 |
0.078 |
| Average: |
276.7 |
-1.6 |
0.415 |
4 |
0 |
0 |
0.078 |
| 6 |
43 |
|
E |
25 |
8 |
11968 |
◊ |
L |
x,y-1,z |
1_545 |
26 |
9 |
11997 |
225.8 |
-1.5 |
0.551 |
1 |
1 |
0 |
0.013 |
44 |
|
B |
24 |
9 |
11889 |
◊ |
I |
x-1,y,z-1 |
1_454 |
17 |
6 |
12145 |
205.8 |
-1.6 |
0.469 |
2 |
2 |
0 |
0.013 |
| Average: |
215.8 |
-1.5 |
0.510 |
2 |
2 |
0 |
0.013 |
| 7 |
45 |
|
A |
18 |
6 |
11770 |
◊ |
G |
x-1,y,z-1 |
1_454 |
21 |
7 |
11901 |
166.4 |
-0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
46 |
|
F |
18 |
6 |
11916 |
◊ |
K |
x,y-1,z |
1_545 |
21 |
6 |
12035 |
160.2 |
-1.7 |
0.462 |
0 |
0 |
0 |
0.000 |
| Average: |
163.3 |
-1.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| 8 |
47 |
|
D |
17 |
8 |
11865 |
◊ |
J |
x,y-1,z |
1_545 |
15 |
8 |
12009 |
128.4 |
2.8 |
0.935 |
0 |
0 |
0 |
0.000 |
48 |
|
C |
11 |
4 |
12148 |
◊ |
H |
x-1,y,z-1 |
1_454 |
17 |
6 |
11875 |
106.1 |
1.5 |
0.851 |
0 |
0 |
0 |
0.000 |
| Average: |
117.3 |
2.2 |
0.893 |
0 |
0 |
0 |
0.000 |
| 9 |
49 |
|
[SO4]A:4000 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
11770 |
90.4 |
-16.8 |
0.642 |
7 |
0 |
0 |
0.219 |
| 10 |
50 |
|
[SO4]B:4004 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
11889 |
90.0 |
-16.5 |
0.623 |
7 |
0 |
0 |
0.170 |
| 11 |
51 |
|
[SO4]K:4031 |
5 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
19 |
11 |
12035 |
89.8 |
-16.7 |
0.623 |
7 |
0 |
0 |
0.218 |
52 |
|
[SO4]C:4007 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
11 |
12148 |
89.3 |
-16.6 |
0.611 |
7 |
0 |
0 |
0.218 |
| Average: |
89.5 |
-16.6 |
0.617 |
7 |
0 |
0 |
0.218 |
| 12 |
53 |
|
[SO4]I:4025 |
5 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
18 |
11 |
12145 |
89.7 |
-16.4 |
0.613 |
7 |
0 |
0 |
0.197 |
| 13 |
54 |
|
[SO4]L:4034 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
17 |
10 |
11997 |
89.7 |
-16.5 |
0.617 |
7 |
0 |
0 |
0.173 |
| 14 |
55 |
|
[SO4]G:4019 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
18 |
11 |
11901 |
89.5 |
-16.7 |
0.595 |
7 |
0 |
0 |
0.212 |
| 15 |
56 |
|
[SO4]D:4010 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
11865 |
89.4 |
-16.6 |
0.646 |
7 |
0 |
0 |
0.392 |
57 |
|
[SO4]H:4022 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
17 |
11 |
11875 |
89.3 |
-16.6 |
0.623 |
7 |
0 |
0 |
0.392 |
58 |
|
[SO4]E:4013 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
11 |
11968 |
89.2 |
-16.3 |
0.635 |
7 |
0 |
0 |
0.392 |
59 |
|
[SO4]F:4016 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
17 |
11 |
11916 |
88.1 |
-16.7 |
0.589 |
7 |
0 |
0 |
0.392 |
| Average: |
89.0 |
-16.5 |
0.623 |
7 |
0 |
0 |
0.392 |
| 16 |
60 |
|
[SO4]J:4028 |
5 |
1 |
186 |
f |
J |
x,y,z |
1_555 |
17 |
11 |
12009 |
89.2 |
-16.7 |
0.586 |
7 |
0 |
0 |
0.172 |
| 17 |
61 |
|
B |
14 |
6 |
11889 |
f |
[SO4]I:4026 |
x-1,y,z-1 |
1_454 |
5 |
1 |
187 |
86.5 |
-11.8 |
0.883 |
3 |
0 |
0 |
0.114 |
| 18 |
62 |
|
[SO4]L:4035 |
5 |
1 |
187 |
f |
L |
x,y,z |
1_555 |
12 |
6 |
11997 |
84.2 |
-11.6 |
0.891 |
3 |
0 |
0 |
0.114 |
| 19 |
63 |
|
[SO4]G:4020 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
11901 |
77.9 |
-11.1 |
0.796 |
3 |
0 |
0 |
0.133 |
| 20 |
64 |
|
[SO4]J:4029 |
4 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
12009 |
74.4 |
-10.5 |
0.853 |
3 |
0 |
0 |
0.103 |
| 21 |
65 |
|
C |
11 |
5 |
12148 |
f |
[SO4]H:4023 |
x-1,y,z-1 |
1_454 |
4 |
1 |
185 |
73.6 |
-10.7 |
0.712 |
1 |
0 |
0 |
0.098 |
| 22 |
66 |
|
[SO4]H:4017 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11875 |
72.7 |
-9.3 |
0.875 |
1 |
0 |
0 |
0.097 |
| 23 |
67 |
|
[SO4]I:4014 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
11968 |
71.7 |
-9.1 |
0.875 |
1 |
0 |
0 |
0.021 |
68 |
|
[SO4]L:4005 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11889 |
71.3 |
-8.8 |
0.883 |
1 |
0 |
0 |
0.021 |
| Average: |
71.5 |
-9.0 |
0.879 |
1 |
0 |
0 |
0.021 |
| 24 |
69 |
|
[SO4]D:4011 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
11865 |
71.5 |
-9.3 |
0.881 |
1 |
0 |
0 |
0.096 |
| 25 |
70 |
|
[SO4]I:4014 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
12145 |
70.4 |
-9.1 |
0.867 |
1 |
0 |
0 |
0.096 |
71 |
|
[SO4]L:4005 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
10 |
3 |
11997 |
69.7 |
-9.2 |
0.876 |
1 |
0 |
0 |
0.096 |
| Average: |
70.0 |
-9.2 |
0.871 |
1 |
0 |
0 |
0.096 |
| 26 |
72 |
|
[SO4]K:4008 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12148 |
70.3 |
-8.8 |
0.878 |
1 |
0 |
0 |
0.019 |
| 27 |
73 |
|
[SO4]A:4001 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
12009 |
70.0 |
-9.1 |
0.871 |
1 |
0 |
0 |
0.083 |
| 28 |
74 |
|
[SO4]D:4011 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
10 |
3 |
11901 |
69.1 |
-9.1 |
0.872 |
1 |
0 |
0 |
0.020 |
| 29 |
75 |
|
[SO4]A:4001 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11770 |
68.9 |
-9.0 |
0.886 |
1 |
0 |
0 |
0.019 |
| 30 |
76 |
|
[SO4]H:4017 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
11916 |
68.8 |
-8.7 |
0.893 |
1 |
0 |
0 |
0.020 |
| 31 |
77 |
|
[SO4]K:4008 |
4 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
10 |
3 |
12035 |
68.8 |
-9.1 |
0.868 |
1 |
0 |
0 |
0.105 |
| 32 |
78 |
|
[MTA]B:4006 |
5 |
1 |
472 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
12148 |
62.6 |
-0.6 |
0.373 |
0 |
0 |
0 |
0.011 |
79 |
|
[MTA]H:4024 |
5 |
1 |
468 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
12145 |
62.2 |
-0.6 |
0.362 |
0 |
0 |
0 |
0.011 |
80 |
|
[MTA]E:4015 |
5 |
1 |
471 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
11916 |
62.0 |
-0.6 |
0.376 |
0 |
0 |
0 |
0.011 |
81 |
|
[MTA]D:4012 |
5 |
1 |
470 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
11968 |
61.9 |
-0.6 |
0.374 |
0 |
0 |
0 |
0.011 |
82 |
|
[MTA]K:4033 |
5 |
1 |
469 |
◊ |
L |
x,y,z |
1_555 |
8 |
2 |
11997 |
61.9 |
-0.6 |
0.360 |
0 |
0 |
0 |
0.011 |
83 |
|
[MTA]C:4009 |
5 |
1 |
469 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11770 |
61.9 |
-0.6 |
0.373 |
0 |
0 |
0 |
0.011 |
84 |
|
[MTA]A:4003 |
5 |
1 |
467 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11889 |
61.6 |
-0.6 |
0.361 |
0 |
0 |
0 |
0.011 |
85 |
|
[MTA]F:4018 |
5 |
1 |
469 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
11865 |
61.5 |
-0.6 |
0.384 |
0 |
0 |
0 |
0.011 |
86 |
|
[MTA]G:4021 |
5 |
1 |
471 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
11875 |
61.5 |
-0.6 |
0.365 |
0 |
0 |
0 |
0.011 |
87 |
|
[MTA]I:4027 |
5 |
1 |
470 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
11901 |
61.5 |
-0.6 |
0.366 |
0 |
0 |
0 |
0.011 |
88 |
|
[MTA]L:4036 |
5 |
1 |
470 |
◊ |
J |
x,y,z |
1_555 |
8 |
2 |
12009 |
61.5 |
-0.6 |
0.362 |
0 |
0 |
0 |
0.011 |
89 |
|
[MTA]J:4030 |
5 |
1 |
470 |
◊ |
K |
x,y,z |
1_555 |
8 |
2 |
12035 |
61.1 |
-0.6 |
0.363 |
0 |
0 |
0 |
0.011 |
| Average: |
61.8 |
-0.6 |
0.368 |
0 |
0 |
0 |
0.011 |
| 33 |
90 |
|
F |
9 |
5 |
11916 |
f |
[SO4]K:4032 |
x,y-1,z |
1_545 |
4 |
1 |
187 |
62.2 |
-8.7 |
0.733 |
1 |
0 |
0 |
0.092 |
| 34 |
91 |
|
B |
3 |
2 |
11889 |
◊ |
H |
x-1,y,z-1 |
1_454 |
8 |
2 |
11875 |
44.6 |
1.9 |
0.909 |
0 |
0 |
0 |
0.000 |
92 |
|
D |
2 |
1 |
11865 |
◊ |
L |
x,y-1,z |
1_545 |
1 |
1 |
11997 |
18.6 |
0.5 |
0.533 |
0 |
0 |
0 |
0.000 |
| Average: |
31.6 |
1.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 35 |
93 |
|
[MTA]K:4033 |
5 |
1 |
469 |
f |
[SO4]K:4031 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.4 |
-5.6 |
0.511 |
0 |
0 |
0 |
0.062 |
94 |
|
[MTA]C:4009 |
5 |
1 |
469 |
f |
[SO4]C:4007 |
x,y,z |
1_555 |
5 |
1 |
186 |
39.0 |
-5.5 |
0.522 |
0 |
0 |
0 |
0.062 |
| Average: |
39.2 |
-5.6 |
0.516 |
0 |
0 |
0 |
0.062 |
| 36 |
95 |
|
[MTA]H:4024 |
5 |
1 |
468 |
f |
[SO4]H:4022 |
x,y,z |
1_555 |
4 |
1 |
187 |
39.4 |
-5.6 |
0.521 |
0 |
0 |
0 |
0.110 |
96 |
|
[MTA]E:4015 |
5 |
1 |
471 |
f |
[SO4]E:4013 |
x,y,z |
1_555 |
4 |
1 |
185 |
39.1 |
-5.6 |
0.522 |
0 |
0 |
0 |
0.110 |
97 |
|
[MTA]F:4018 |
5 |
1 |
469 |
f |
[SO4]F:4016 |
x,y,z |
1_555 |
5 |
1 |
184 |
38.8 |
-5.5 |
0.529 |
0 |
0 |
0 |
0.110 |
98 |
|
[MTA]D:4012 |
5 |
1 |
470 |
f |
[SO4]D:4010 |
x,y,z |
1_555 |
4 |
1 |
185 |
38.8 |
-5.5 |
0.535 |
0 |
0 |
0 |
0.110 |
| Average: |
39.0 |
-5.5 |
0.527 |
0 |
0 |
0 |
0.110 |
| 37 |
99 |
|
[MTA]J:4030 |
5 |
1 |
470 |
f |
[SO4]J:4028 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.3 |
-5.6 |
0.518 |
0 |
0 |
0 |
0.049 |
| 38 |
100 |
|
[MTA]L:4036 |
5 |
1 |
470 |
f |
[SO4]L:4034 |
x,y,z |
1_555 |
4 |
1 |
185 |
39.3 |
-5.6 |
0.532 |
0 |
0 |
0 |
0.049 |
| 39 |
101 |
|
[MTA]I:4027 |
5 |
1 |
470 |
f |
[SO4]I:4025 |
x,y,z |
1_555 |
4 |
1 |
184 |
39.1 |
-5.7 |
0.511 |
0 |
0 |
0 |
0.057 |
| 40 |
102 |
|
[MTA]G:4021 |
5 |
1 |
471 |
f |
[SO4]G:4019 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.0 |
-5.5 |
0.529 |
0 |
0 |
0 |
0.059 |
| 41 |
103 |
|
[MTA]B:4006 |
5 |
1 |
472 |
f |
[SO4]B:4004 |
x,y,z |
1_555 |
4 |
1 |
184 |
38.9 |
-5.5 |
0.528 |
0 |
0 |
0 |
0.048 |
| 42 |
104 |
|
[MTA]A:4003 |
5 |
1 |
467 |
f |
[SO4]A:4000 |
x,y,z |
1_555 |
4 |
1 |
187 |
38.6 |
-5.5 |
0.535 |
0 |
0 |
0 |
0.061 |
| 43 |
105 |
|
D |
3 |
2 |
11865 |
◊ |
[SO4]J:4029 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
35.9 |
-3.3 |
0.972 |
2 |
0 |
0 |
0.000 |
| 44 |
106 |
|
[SO4]H:4023 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
11875 |
35.3 |
-3.3 |
0.967 |
2 |
0 |
0 |
0.000 |
| 45 |
107 |
|
E |
6 |
3 |
11968 |
◊ |
[SO4]L:4035 |
x,y-1,z |
1_545 |
4 |
1 |
187 |
33.9 |
-2.8 |
0.949 |
0 |
0 |
0 |
0.000 |
| 46 |
108 |
|
[SO4]I:4026 |
4 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
12145 |
33.5 |
-2.7 |
0.949 |
0 |
0 |
0 |
0.012 |
| 47 |
109 |
|
A |
4 |
2 |
11770 |
◊ |
[SO4]G:4020 |
x-1,y,z-1 |
1_454 |
4 |
1 |
186 |
32.3 |
-2.8 |
0.976 |
1 |
0 |
0 |
0.000 |
| 48 |
110 |
|
[SO4]K:4032 |
4 |
1 |
187 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
12035 |
31.0 |
-2.5 |
0.977 |
1 |
0 |
0 |
0.000 |
| 49 |
111 |
|
C |
2 |
2 |
12148 |
◊ |
G |
x-1,y,z-1 |
1_454 |
2 |
2 |
11901 |
12.8 |
0.4 |
0.819 |
0 |
0 |
0 |
0.000 |
112 |
|
F |
3 |
2 |
11916 |
◊ |
J |
x,y-1,z |
1_545 |
1 |
1 |
12009 |
7.8 |
0.5 |
0.871 |
0 |
0 |
0 |
0.000 |
| Average: |
10.3 |
0.4 |
0.845 |
0 |
0 |
0 |
0.000 |
| 50 |
113 |
|
F |
1 |
1 |
11916 |
◊ |
L |
x,y-1,z |
1_545 |
1 |
1 |
11997 |
2.6 |
0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
|