| ## |
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 |
91 |
22 |
18478 |
◊ |
B |
x,y,z |
1_555 |
97 |
33 |
18289 |
896.4 |
-9.5 |
0.082 |
12 |
2 |
0 |
0.109 |
2 |
|
H |
92 |
22 |
18191 |
◊ |
A |
x,y,z |
1_555 |
99 |
35 |
18445 |
883.8 |
-8.7 |
0.100 |
11 |
2 |
0 |
0.109 |
3 |
|
F |
95 |
34 |
18230 |
◊ |
A |
x,y,z |
1_555 |
87 |
22 |
18445 |
854.7 |
-7.9 |
0.107 |
16 |
2 |
0 |
0.109 |
4 |
|
E |
88 |
32 |
18170 |
◊ |
B |
x,y,z |
1_555 |
85 |
22 |
18289 |
849.5 |
-8.0 |
0.103 |
12 |
2 |
0 |
0.109 |
| Average: |
871.1 |
-8.5 |
0.098 |
13 |
2 |
0 |
0.109 |
| 2 |
5 |
|
D |
69 |
27 |
18478 |
◊ |
G |
x-1,y-1,z |
1_445 |
63 |
15 |
18384 |
638.0 |
-3.6 |
0.237 |
7 |
1 |
0 |
0.070 |
6 |
|
C |
57 |
14 |
18429 |
◊ |
H |
x-1,y,z |
1_455 |
67 |
24 |
18191 |
602.1 |
-4.9 |
0.195 |
9 |
1 |
0 |
0.070 |
7 |
|
F |
50 |
14 |
18230 |
◊ |
C |
x-1,y-1,z |
1_445 |
58 |
23 |
18429 |
508.5 |
-5.4 |
0.151 |
5 |
1 |
0 |
0.070 |
8 |
|
G |
52 |
21 |
18384 |
◊ |
E |
x-1,y,z |
1_455 |
52 |
13 |
18170 |
506.2 |
-5.3 |
0.133 |
5 |
1 |
0 |
0.070 |
| Average: |
563.7 |
-4.8 |
0.179 |
7 |
1 |
0 |
0.070 |
| 3 |
9 |
|
B |
50 |
14 |
18289 |
◊ |
A |
x,y,z-1 |
1_554 |
56 |
17 |
18445 |
471.7 |
1.3 |
0.649 |
4 |
2 |
0 |
0.000 |
10 |
|
G |
50 |
14 |
18384 |
◊ |
C |
x,y,z-1 |
1_554 |
54 |
15 |
18429 |
451.6 |
0.4 |
0.529 |
8 |
0 |
0 |
0.000 |
11 |
|
B |
57 |
17 |
18289 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
18445 |
449.3 |
-0.7 |
0.489 |
2 |
1 |
0 |
0.000 |
12 |
|
G |
57 |
16 |
18384 |
◊ |
C |
x,y,z |
1_555 |
47 |
13 |
18429 |
429.1 |
0.3 |
0.539 |
6 |
0 |
0 |
0.000 |
| Average: |
450.4 |
0.4 |
0.551 |
5 |
1 |
0 |
0.000 |
| 4 |
13 |
|
C |
39 |
12 |
18429 |
◊ |
E |
x-1,y,z |
1_455 |
45 |
12 |
18170 |
335.3 |
-0.1 |
0.530 |
0 |
2 |
0 |
0.000 |
14 |
|
F |
37 |
11 |
18230 |
◊ |
G |
x-1,y-1,z+1 |
1_446 |
36 |
10 |
18384 |
288.4 |
-0.9 |
0.444 |
1 |
1 |
0 |
0.000 |
| Average: |
311.9 |
-0.5 |
0.487 |
1 |
2 |
0 |
0.000 |
| 5 |
15 |
|
F |
48 |
14 |
18230 |
◊ |
D |
x,y,z |
1_555 |
37 |
13 |
18478 |
308.0 |
3.1 |
0.793 |
6 |
0 |
0 |
0.000 |
16 |
|
E |
41 |
12 |
18170 |
◊ |
H |
x,y,z-1 |
1_554 |
36 |
12 |
18191 |
291.3 |
1.3 |
0.667 |
5 |
0 |
0 |
0.000 |
| Average: |
299.7 |
2.2 |
0.730 |
6 |
0 |
0 |
0.000 |
| 6 |
17 |
|
B |
29 |
9 |
18289 |
◊ |
H |
x,y,z-1 |
1_554 |
33 |
10 |
18191 |
280.5 |
1.9 |
0.731 |
3 |
1 |
0 |
0.000 |
18 |
|
D |
31 |
10 |
18478 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
18445 |
280.4 |
1.6 |
0.702 |
4 |
1 |
0 |
0.000 |
| Average: |
280.4 |
1.8 |
0.717 |
4 |
1 |
0 |
0.000 |
| 7 |
19 |
|
A |
30 |
13 |
18445 |
◊ |
C |
x,y-1,z |
1_545 |
27 |
10 |
18429 |
237.3 |
2.3 |
0.749 |
2 |
0 |
0 |
0.000 |
20 |
|
G |
27 |
9 |
18384 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
18289 |
226.0 |
2.4 |
0.752 |
4 |
0 |
0 |
0.000 |
| Average: |
231.7 |
2.3 |
0.751 |
3 |
0 |
0 |
0.000 |
| 8 |
21 |
|
D |
28 |
6 |
18478 |
◊ |
E |
x-1,y-1,z |
1_445 |
24 |
8 |
18170 |
232.6 |
0.2 |
0.544 |
3 |
0 |
0 |
0.000 |
22 |
|
F |
24 |
8 |
18230 |
◊ |
H |
x-1,y-1,z |
1_445 |
26 |
6 |
18191 |
216.9 |
-0.8 |
0.435 |
3 |
0 |
0 |
0.000 |
| Average: |
224.8 |
-0.3 |
0.490 |
3 |
0 |
0 |
0.000 |
| 9 |
23 |
|
B |
17 |
9 |
18289 |
◊ |
F |
x,y,z-1 |
1_554 |
16 |
5 |
18230 |
168.4 |
-0.0 |
0.412 |
3 |
1 |
0 |
0.000 |
24 |
|
E |
11 |
4 |
18170 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
18445 |
157.3 |
0.0 |
0.258 |
2 |
0 |
0 |
0.000 |
| Average: |
162.9 |
0.0 |
0.335 |
3 |
1 |
0 |
0.000 |
| 10 |
25 |
|
F |
19 |
8 |
18230 |
◊ |
H |
x-1,y,z |
1_455 |
17 |
6 |
18191 |
145.4 |
-0.4 |
0.365 |
0 |
0 |
0 |
0.002 |
26 |
|
D |
18 |
7 |
18478 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
7 |
18170 |
134.7 |
-0.2 |
0.432 |
0 |
0 |
0 |
0.002 |
| Average: |
140.0 |
-0.3 |
0.399 |
0 |
0 |
0 |
0.002 |
| 11 |
27 |
|
D |
17 |
5 |
18478 |
◊ |
F |
x,y,z-1 |
1_554 |
16 |
6 |
18230 |
140.6 |
1.9 |
0.788 |
2 |
0 |
0 |
0.000 |
28 |
|
H |
15 |
5 |
18191 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
18170 |
127.9 |
2.1 |
0.812 |
3 |
0 |
0 |
0.000 |
| Average: |
134.3 |
2.0 |
0.800 |
3 |
0 |
0 |
0.000 |
| 12 |
29 |
|
B |
18 |
8 |
18289 |
◊ |
E |
x-1,y,z |
1_455 |
15 |
4 |
18170 |
125.2 |
1.4 |
0.743 |
0 |
1 |
0 |
0.000 |
30 |
|
F |
14 |
4 |
18230 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
6 |
18445 |
121.5 |
0.6 |
0.630 |
1 |
1 |
0 |
0.000 |
| Average: |
123.3 |
1.0 |
0.687 |
1 |
1 |
0 |
0.000 |
| 13 |
31 |
|
H |
13 |
5 |
18191 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
18429 |
124.7 |
0.1 |
0.481 |
1 |
0 |
0 |
0.000 |
32 |
|
D |
10 |
5 |
18478 |
◊ |
G |
x,y-1,z |
1_545 |
17 |
6 |
18384 |
95.5 |
0.1 |
0.515 |
1 |
0 |
0 |
0.000 |
| Average: |
110.1 |
0.1 |
0.498 |
1 |
0 |
0 |
0.000 |
| 14 |
33 |
|
[GOL]E:8 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
21 |
7 |
18170 |
119.5 |
-1.0 |
0.430 |
3 |
0 |
0 |
0.009 |
| 15 |
34 |
|
[GOL]B:6 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18289 |
109.6 |
-0.2 |
0.503 |
2 |
0 |
0 |
0.004 |
| 16 |
35 |
|
[GOL]A:5 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18445 |
108.3 |
-0.0 |
0.542 |
3 |
0 |
0 |
0.005 |
| 17 |
36 |
|
[SO4]H:460 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
18191 |
106.7 |
-15.6 |
0.624 |
5 |
0 |
0 |
0.105 |
| 18 |
37 |
|
[SO4]G:460 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
18384 |
105.8 |
-16.4 |
0.377 |
3 |
0 |
0 |
0.034 |
| 19 |
38 |
|
[SO4]B:460 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
18289 |
105.4 |
-15.6 |
0.572 |
3 |
0 |
0 |
0.064 |
| 20 |
39 |
|
[SO4]C:459 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
18429 |
104.4 |
-15.9 |
0.545 |
6 |
0 |
0 |
0.078 |
| 21 |
40 |
|
[SO4]D:458 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
18478 |
103.8 |
-15.3 |
0.630 |
5 |
0 |
0 |
0.066 |
| 22 |
41 |
|
[SO4]A:460 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
18445 |
102.2 |
-14.8 |
0.599 |
2 |
0 |
0 |
0.056 |
| 23 |
42 |
|
[SO4]E:458 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
18170 |
100.3 |
-15.5 |
0.690 |
3 |
0 |
0 |
0.064 |
| 24 |
43 |
|
[SO4]F:458 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
18230 |
96.1 |
-14.6 |
0.714 |
4 |
0 |
0 |
0.096 |
| 25 |
44 |
|
[SO4]B:461 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
18289 |
96.0 |
-12.0 |
0.794 |
0 |
0 |
0 |
0.045 |
| 26 |
45 |
|
[SO4]H:462 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
18191 |
93.2 |
-11.6 |
0.723 |
1 |
0 |
0 |
0.070 |
| 27 |
46 |
|
[GOL]B:7 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
18289 |
93.2 |
-1.1 |
0.272 |
2 |
0 |
0 |
0.008 |
| 28 |
47 |
|
[SO4]A:462 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
18445 |
90.8 |
-12.3 |
0.741 |
1 |
0 |
0 |
0.046 |
| 29 |
48 |
|
[SO4]B:462 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
18289 |
90.7 |
-12.7 |
0.864 |
5 |
0 |
0 |
0.056 |
| 30 |
49 |
|
[SO4]H:459 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
16 |
4 |
18191 |
90.4 |
-13.6 |
0.684 |
4 |
0 |
0 |
0.090 |
| 31 |
50 |
|
[SO4]D:10 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
18478 |
89.8 |
-13.7 |
0.695 |
4 |
0 |
0 |
0.058 |
| 32 |
51 |
|
[SO4]F:460 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
18230 |
88.4 |
-13.1 |
0.851 |
5 |
0 |
0 |
0.090 |
| 33 |
52 |
|
[SO4]E:461 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
18170 |
88.1 |
-13.0 |
0.836 |
5 |
0 |
0 |
0.057 |
| 34 |
53 |
|
[SO4]G:458 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
18384 |
86.9 |
-13.2 |
0.820 |
4 |
0 |
0 |
0.029 |
| 35 |
54 |
|
[SO4]B:459 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18289 |
86.9 |
-12.2 |
0.750 |
3 |
0 |
0 |
0.051 |
| 36 |
55 |
|
[SO4]C:460 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
18429 |
86.7 |
-13.2 |
0.817 |
4 |
0 |
0 |
0.063 |
| 37 |
56 |
|
[SO4]D:9 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
18478 |
83.9 |
-11.5 |
0.711 |
2 |
0 |
0 |
0.047 |
| 38 |
57 |
|
[EDO]A:4 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
18445 |
83.8 |
1.3 |
0.157 |
3 |
0 |
0 |
0.000 |
| 39 |
58 |
|
[SO4]A:459 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
18445 |
83.8 |
-11.6 |
0.848 |
2 |
0 |
0 |
0.045 |
| 40 |
59 |
|
[SO4]H:463 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
18191 |
83.0 |
-11.9 |
0.801 |
3 |
0 |
0 |
0.077 |
| 41 |
60 |
|
[SO4]H:458 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
18191 |
82.8 |
-11.5 |
0.709 |
2 |
0 |
0 |
0.072 |
| 42 |
61 |
|
[SO4]E:460 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
18170 |
81.0 |
-10.9 |
0.843 |
3 |
0 |
0 |
0.046 |
| 43 |
62 |
|
[SO4]F:459 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
18230 |
79.7 |
-12.1 |
0.629 |
2 |
0 |
0 |
0.076 |
| 44 |
63 |
|
[SO4]H:461 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
18191 |
78.9 |
-11.0 |
0.649 |
4 |
0 |
0 |
0.075 |
| 45 |
64 |
|
[SO4]B:458 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
18289 |
77.6 |
-10.7 |
0.827 |
4 |
0 |
0 |
0.047 |
| 46 |
65 |
|
[SO4]A:458 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
18445 |
77.3 |
-10.6 |
0.766 |
3 |
0 |
0 |
0.043 |
| 47 |
66 |
|
[SO4]D:459 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
18478 |
76.8 |
-11.0 |
0.623 |
6 |
0 |
0 |
0.052 |
| 48 |
67 |
|
[SO4]C:458 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
18429 |
75.7 |
-10.8 |
0.595 |
6 |
0 |
0 |
0.056 |
| 49 |
68 |
|
[SO4]G:459 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
18384 |
75.6 |
-11.0 |
0.534 |
4 |
0 |
0 |
0.024 |
| 50 |
69 |
|
[SO4]E:462 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
18170 |
73.5 |
-10.2 |
0.655 |
3 |
0 |
0 |
0.043 |
| 51 |
70 |
|
[SO4]F:461 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
18230 |
73.1 |
-10.5 |
0.598 |
3 |
0 |
0 |
0.069 |
| 52 |
71 |
|
[SO4]E:459 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
18170 |
69.4 |
-8.8 |
0.582 |
2 |
0 |
0 |
0.037 |
| 53 |
72 |
|
F |
8 |
4 |
18230 |
◊ |
[SO4]H:463 |
x-1,y,z |
1_455 |
5 |
1 |
185 |
62.8 |
-8.7 |
0.595 |
2 |
0 |
0 |
0.056 |
| 54 |
73 |
|
D |
7 |
3 |
18478 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
4 |
2 |
18191 |
58.7 |
0.7 |
0.724 |
0 |
0 |
0 |
0.000 |
74 |
|
D |
5 |
2 |
18478 |
◊ |
H |
x-1,y-1,z |
1_445 |
7 |
4 |
18191 |
54.0 |
1.5 |
0.848 |
1 |
1 |
0 |
0.000 |
| Average: |
56.3 |
1.1 |
0.786 |
1 |
1 |
0 |
0.000 |
| 55 |
75 |
|
[SO4]A:459 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
18230 |
58.2 |
-7.2 |
0.840 |
3 |
0 |
0 |
0.031 |
| 56 |
76 |
|
[NA]H:3 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
18191 |
57.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.047 |
77 |
|
[NA]D:2 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
18478 |
56.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| Average: |
57.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.047 |
| 57 |
78 |
|
[SO4]B:459 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
18170 |
57.1 |
-7.0 |
0.866 |
2 |
0 |
0 |
0.030 |
| 58 |
79 |
|
[SO4]F:459 |
4 |
1 |
185 |
◊ |
C |
x-1,y-1,z |
1_445 |
4 |
2 |
18429 |
57.0 |
-7.3 |
0.879 |
2 |
0 |
0 |
0.034 |
| 59 |
80 |
|
[SO4]D:9 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
18289 |
56.2 |
-6.7 |
0.886 |
2 |
0 |
0 |
0.029 |
| 60 |
81 |
|
[SO4]H:458 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
18445 |
55.9 |
-6.7 |
0.872 |
2 |
0 |
0 |
0.027 |
| 61 |
82 |
|
[NA]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
18445 |
55.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 62 |
83 |
|
[SO4]G:461 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
18384 |
54.5 |
-5.8 |
0.918 |
2 |
0 |
0 |
0.013 |
| 63 |
84 |
|
G |
4 |
2 |
18384 |
◊ |
[SO4]E:460 |
x-1,y,z |
1_455 |
5 |
1 |
184 |
53.4 |
-6.7 |
0.893 |
2 |
0 |
0 |
0.000 |
| 64 |
85 |
|
[SO4]C:461 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
18429 |
53.1 |
-6.0 |
0.869 |
1 |
0 |
0 |
0.027 |
| 65 |
86 |
|
[SO4]H:460 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
18429 |
49.8 |
-5.5 |
0.837 |
1 |
0 |
0 |
0.000 |
| 66 |
87 |
|
D |
4 |
2 |
18478 |
◊ |
C |
x-1,y-1,z |
1_445 |
10 |
5 |
18429 |
48.5 |
-0.5 |
0.398 |
1 |
0 |
0 |
0.000 |
88 |
|
G |
9 |
3 |
18384 |
◊ |
H |
x-1,y,z-1 |
1_454 |
4 |
2 |
18191 |
35.1 |
-0.6 |
0.376 |
0 |
0 |
0 |
0.000 |
| Average: |
41.8 |
-0.5 |
0.387 |
1 |
0 |
0 |
0.000 |
| 67 |
89 |
|
[SO4]D:458 |
4 |
1 |
185 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
2 |
18384 |
45.6 |
-4.6 |
0.933 |
3 |
0 |
0 |
0.000 |
| 68 |
90 |
|
[SO4]B:463 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
18289 |
42.6 |
-4.4 |
0.922 |
2 |
0 |
0 |
0.020 |
| 69 |
91 |
|
[SO4]A:461 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
18191 |
41.4 |
-3.8 |
0.914 |
1 |
0 |
0 |
0.015 |
| 70 |
92 |
|
[GOL]A:5 |
3 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
18478 |
39.8 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
| 71 |
93 |
|
[SO4]H:461 |
4 |
1 |
185 |
f |
[NA]H:3 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.049 |
| 72 |
94 |
|
[SO4]A:461 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
18445 |
39.6 |
-3.7 |
0.932 |
2 |
0 |
0 |
0.017 |
| 73 |
95 |
|
B |
7 |
2 |
18289 |
◊ |
[GOL]E:8 |
x-1,y,z |
1_455 |
4 |
1 |
219 |
38.8 |
0.2 |
0.586 |
1 |
0 |
0 |
0.000 |
| 74 |
96 |
|
[GOL]B:7 |
2 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
18170 |
38.0 |
0.3 |
0.668 |
1 |
0 |
0 |
0.000 |
| 75 |
97 |
|
[SO4]B:463 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
18384 |
38.0 |
-4.0 |
0.882 |
0 |
0 |
0 |
0.000 |
| 76 |
98 |
|
B |
3 |
1 |
18289 |
◊ |
[SO4]E:459 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
37.9 |
-4.4 |
0.867 |
1 |
0 |
0 |
0.000 |
| 77 |
99 |
|
[SO4]D:459 |
4 |
1 |
183 |
f |
[NA]D:2 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 78 |
100 |
|
[GOL]B:6 |
4 |
1 |
219 |
◊ |
H |
x,y,z-1 |
1_554 |
6 |
2 |
18191 |
35.8 |
0.4 |
0.620 |
0 |
0 |
0 |
0.000 |
| 79 |
101 |
|
A |
4 |
1 |
18445 |
◊ |
[SO4]C:460 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
34.5 |
-4.1 |
0.887 |
0 |
0 |
0 |
0.000 |
| 80 |
102 |
|
[SO4]G:458 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18289 |
34.2 |
-4.1 |
0.917 |
1 |
0 |
0 |
0.000 |
| 81 |
103 |
|
[SO4]F:461 |
4 |
1 |
184 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
18191 |
33.0 |
-2.9 |
0.935 |
1 |
0 |
0 |
0.020 |
| 82 |
104 |
|
F |
5 |
2 |
18230 |
◊ |
[SO4]C:461 |
x-1,y-1,z |
1_445 |
3 |
1 |
184 |
32.2 |
-3.3 |
0.938 |
1 |
0 |
0 |
0.016 |
| 83 |
105 |
|
[SO4]A:460 |
3 |
1 |
185 |
f |
[NA]A:1 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 84 |
106 |
|
B |
4 |
2 |
18289 |
◊ |
G |
x,y-1,z |
1_545 |
3 |
2 |
18384 |
30.1 |
0.8 |
0.775 |
1 |
0 |
0 |
0.000 |
107 |
|
C |
3 |
2 |
18429 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18445 |
27.8 |
0.6 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
28.9 |
0.7 |
0.763 |
1 |
0 |
0 |
0.000 |
| 85 |
108 |
|
[EDO]A:4 |
2 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
18230 |
29.3 |
0.6 |
0.795 |
1 |
0 |
0 |
0.000 |
| 86 |
109 |
|
[SO4]B:461 |
4 |
1 |
184 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
18445 |
28.2 |
-3.3 |
0.822 |
0 |
0 |
0 |
0.000 |
| 87 |
110 |
|
[SO4]B:463 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18429 |
26.9 |
-2.3 |
0.952 |
1 |
0 |
0 |
0.000 |
| 88 |
111 |
|
D |
3 |
1 |
18478 |
◊ |
[SO4]E:462 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
26.7 |
-3.3 |
0.762 |
0 |
0 |
0 |
0.000 |
| 89 |
112 |
|
[SO4]G:461 |
4 |
1 |
186 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
2 |
18170 |
26.4 |
-3.2 |
0.773 |
0 |
0 |
0 |
0.000 |
| 90 |
113 |
|
[SO4]A:462 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18289 |
25.6 |
-3.5 |
0.596 |
0 |
0 |
0 |
0.000 |
| 91 |
114 |
|
E |
2 |
1 |
18170 |
◊ |
[SO4]H:462 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
18.4 |
-2.4 |
0.705 |
0 |
0 |
0 |
0.000 |
| 92 |
115 |
|
F |
4 |
2 |
18230 |
◊ |
E |
x-1,y,z+1 |
1_456 |
3 |
3 |
18170 |
15.3 |
0.5 |
0.756 |
0 |
0 |
0 |
0.000 |
| 93 |
116 |
|
[SO4]D:9 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18445 |
13.7 |
-1.5 |
0.821 |
0 |
0 |
0 |
0.000 |
| 94 |
117 |
|
[SO4]F:461 |
1 |
1 |
184 |
◊ |
[SO4]H:463 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
4.5 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.006 |
| 95 |
118 |
|
E |
1 |
1 |
18170 |
◊ |
G |
x,y-1,z |
1_545 |
2 |
1 |
18384 |
3.9 |
0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
| 96 |
119 |
|
[SO4]G:461 |
1 |
1 |
186 |
◊ |
[SO4]E:460 |
x-1,y,z |
1_455 |
1 |
1 |
184 |
3.0 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 97 |
120 |
|
[SO4]A:462 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18170 |
0.6 |
-0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
|