| ## |
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 |
|
L |
155 |
33 |
12284 |
◊ |
K |
x,y,z |
1_555 |
146 |
44 |
11631 |
1428.5 |
-3.3 |
0.638 |
18 |
9 |
0 |
0.368 |
2 |
|
F |
165 |
38 |
12023 |
◊ |
E |
x,y,z |
1_555 |
144 |
43 |
12161 |
1402.3 |
-4.6 |
0.596 |
22 |
10 |
0 |
0.368 |
3 |
|
H |
162 |
34 |
12294 |
◊ |
G |
x,y,z |
1_555 |
139 |
43 |
12134 |
1393.2 |
-4.8 |
0.604 |
15 |
8 |
0 |
0.368 |
4 |
|
B |
155 |
34 |
12280 |
◊ |
A |
x,y,z |
1_555 |
141 |
40 |
12174 |
1342.9 |
-6.4 |
0.504 |
20 |
9 |
0 |
0.368 |
5 |
|
E |
148 |
32 |
12161 |
◊ |
D |
x,y,z |
1_555 |
134 |
42 |
11924 |
1340.7 |
-3.7 |
0.615 |
20 |
11 |
0 |
0.368 |
6 |
|
P |
137 |
41 |
12048 |
◊ |
I |
x,y,z |
1_555 |
157 |
34 |
12227 |
1340.0 |
-4.6 |
0.548 |
19 |
9 |
0 |
0.368 |
7 |
|
G |
152 |
33 |
12134 |
◊ |
F |
x,y,z |
1_555 |
135 |
41 |
12023 |
1313.1 |
-3.4 |
0.644 |
20 |
7 |
0 |
0.368 |
8 |
|
O |
152 |
33 |
11900 |
◊ |
N |
x,y,z |
1_555 |
140 |
42 |
11885 |
1306.5 |
-5.1 |
0.571 |
17 |
8 |
0 |
0.368 |
9 |
|
N |
154 |
34 |
11885 |
◊ |
M |
x,y,z |
1_555 |
133 |
41 |
11776 |
1302.0 |
-7.0 |
0.486 |
17 |
8 |
0 |
0.368 |
10 |
|
C |
156 |
32 |
12050 |
◊ |
B |
x,y,z |
1_555 |
131 |
38 |
12280 |
1299.2 |
-5.0 |
0.546 |
13 |
7 |
0 |
0.368 |
11 |
|
M |
142 |
31 |
11776 |
◊ |
L |
x,y,z |
1_555 |
130 |
38 |
12284 |
1282.0 |
-6.5 |
0.482 |
17 |
9 |
0 |
0.368 |
12 |
|
P |
146 |
31 |
12048 |
◊ |
O |
x,y,z |
1_555 |
134 |
40 |
11900 |
1281.8 |
-5.7 |
0.514 |
17 |
8 |
0 |
0.368 |
13 |
|
H |
131 |
39 |
12294 |
◊ |
A |
x,y,z |
1_555 |
144 |
35 |
12174 |
1270.8 |
-4.8 |
0.575 |
20 |
9 |
0 |
0.368 |
14 |
|
J |
147 |
31 |
11855 |
◊ |
I |
x,y,z |
1_555 |
130 |
39 |
12227 |
1253.8 |
-6.1 |
0.444 |
16 |
7 |
0 |
0.368 |
15 |
|
K |
146 |
31 |
11631 |
◊ |
J |
x,y,z |
1_555 |
123 |
36 |
11855 |
1247.8 |
-6.8 |
0.387 |
19 |
8 |
0 |
0.368 |
16 |
|
D |
142 |
32 |
11924 |
◊ |
C |
x,y,z |
1_555 |
128 |
35 |
12050 |
1230.6 |
-5.0 |
0.519 |
16 |
8 |
0 |
0.368 |
| Average: |
1314.7 |
-5.2 |
0.542 |
18 |
8 |
0 |
0.368 |
| 2 |
17 |
|
A |
46 |
15 |
12174 |
◊ |
A |
-x,y,-z-1 |
2_554 |
46 |
15 |
12174 |
392.3 |
-4.5 |
0.271 |
4 |
0 |
0 |
0.000 |
| 3 |
18 |
|
N |
40 |
11 |
11885 |
◊ |
N |
-x,y,-z |
2_555 |
40 |
11 |
11885 |
367.4 |
-6.1 |
0.128 |
2 |
0 |
0 |
0.000 |
| 4 |
19 |
|
[ADP]A:1000 |
26 |
1 |
561 |
f |
A |
x,y,z |
1_555 |
54 |
19 |
12174 |
363.3 |
-5.2 |
0.623 |
13 |
0 |
0 |
0.283 |
20 |
|
[ADP]G:1000 |
27 |
1 |
565 |
f |
G |
x,y,z |
1_555 |
53 |
18 |
12134 |
362.8 |
-6.4 |
0.539 |
12 |
0 |
0 |
0.283 |
21 |
|
[ADP]C:1000 |
26 |
1 |
561 |
f |
C |
x,y,z |
1_555 |
58 |
19 |
12050 |
361.2 |
-6.1 |
0.534 |
12 |
0 |
0 |
0.283 |
22 |
|
[ADP]E:1000 |
26 |
1 |
562 |
f |
E |
x,y,z |
1_555 |
60 |
20 |
12161 |
360.3 |
-5.9 |
0.580 |
10 |
0 |
0 |
0.283 |
23 |
|
[ADP]I:1000 |
26 |
1 |
558 |
f |
I |
x,y,z |
1_555 |
55 |
19 |
12227 |
358.1 |
-5.8 |
0.552 |
12 |
0 |
0 |
0.283 |
24 |
|
[ADP]K:1000 |
26 |
1 |
557 |
f |
K |
x,y,z |
1_555 |
57 |
19 |
11631 |
352.7 |
-6.0 |
0.545 |
12 |
0 |
0 |
0.283 |
25 |
|
[ADP]J:1000 |
26 |
1 |
559 |
f |
J |
x,y,z |
1_555 |
56 |
19 |
11855 |
350.7 |
-5.9 |
0.569 |
11 |
0 |
0 |
0.283 |
26 |
|
[ADP]H:1000 |
25 |
1 |
563 |
f |
H |
x,y,z |
1_555 |
55 |
18 |
12294 |
345.4 |
-6.0 |
0.577 |
11 |
0 |
0 |
0.283 |
27 |
|
[ADP]D:1000 |
25 |
1 |
547 |
f |
D |
x,y,z |
1_555 |
59 |
21 |
11924 |
345.2 |
-6.4 |
0.554 |
12 |
0 |
0 |
0.283 |
28 |
|
[ADP]L:1000 |
25 |
1 |
563 |
f |
L |
x,y,z |
1_555 |
54 |
17 |
12284 |
343.4 |
-6.0 |
0.567 |
10 |
0 |
0 |
0.283 |
29 |
|
[ADP]P:1000 |
25 |
1 |
560 |
f |
P |
x,y,z |
1_555 |
54 |
17 |
12048 |
343.1 |
-6.0 |
0.550 |
11 |
0 |
0 |
0.283 |
30 |
|
[ADP]B:1000 |
25 |
1 |
561 |
f |
B |
x,y,z |
1_555 |
56 |
18 |
12280 |
343.0 |
-6.1 |
0.571 |
12 |
0 |
0 |
0.283 |
31 |
|
[ADP]O:1000 |
26 |
1 |
561 |
f |
O |
x,y,z |
1_555 |
55 |
19 |
11900 |
342.3 |
-6.1 |
0.584 |
12 |
0 |
0 |
0.283 |
32 |
|
[ADP]M:1000 |
26 |
1 |
563 |
f |
M |
x,y,z |
1_555 |
55 |
17 |
11776 |
340.9 |
-6.1 |
0.565 |
10 |
0 |
0 |
0.283 |
33 |
|
[ADP]F:1000 |
25 |
1 |
561 |
f |
F |
x,y,z |
1_555 |
54 |
17 |
12023 |
340.3 |
-6.0 |
0.545 |
10 |
0 |
0 |
0.283 |
| Average: |
350.2 |
-6.0 |
0.564 |
11 |
0 |
0 |
0.283 |
| 5 |
34 |
|
[ADP]N:1000 |
25 |
1 |
563 |
f |
N |
x,y,z |
1_555 |
53 |
19 |
11885 |
348.8 |
-6.3 |
0.588 |
12 |
0 |
0 |
0.048 |
| 6 |
35 |
|
H |
37 |
9 |
12294 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
4_544 |
37 |
14 |
12227 |
309.0 |
-2.4 |
0.388 |
2 |
0 |
0 |
0.000 |
| 7 |
36 |
|
O |
26 |
6 |
11900 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
12280 |
246.2 |
-1.5 |
0.477 |
4 |
0 |
0 |
0.000 |
37 |
|
L |
25 |
6 |
12284 |
◊ |
E |
x,y,z |
1_555 |
26 |
6 |
12161 |
219.1 |
-1.4 |
0.476 |
2 |
0 |
0 |
0.000 |
38 |
|
N |
28 |
7 |
11885 |
◊ |
C |
x,y,z |
1_555 |
25 |
5 |
12050 |
216.3 |
-1.7 |
0.389 |
2 |
0 |
0 |
0.000 |
39 |
|
I |
24 |
5 |
12227 |
◊ |
H |
x,y,z |
1_555 |
23 |
5 |
12294 |
215.3 |
-0.0 |
0.631 |
4 |
0 |
0 |
0.000 |
40 |
|
M |
22 |
6 |
11776 |
◊ |
D |
x,y,z |
1_555 |
23 |
5 |
11924 |
198.2 |
-2.3 |
0.332 |
3 |
0 |
0 |
0.000 |
41 |
|
P |
22 |
6 |
12048 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
12174 |
191.9 |
-1.8 |
0.366 |
6 |
0 |
0 |
0.000 |
42 |
|
J |
16 |
5 |
11855 |
◊ |
G |
x,y,z |
1_555 |
22 |
6 |
12134 |
171.2 |
-1.7 |
0.365 |
1 |
0 |
0 |
0.000 |
43 |
|
K |
23 |
5 |
11631 |
◊ |
F |
x,y,z |
1_555 |
19 |
5 |
12023 |
167.4 |
-0.7 |
0.534 |
4 |
0 |
0 |
0.000 |
| Average: |
203.2 |
-1.4 |
0.447 |
3 |
0 |
0 |
0.000 |
| 8 |
44 |
|
F |
26 |
8 |
12023 |
◊ |
P |
-x+1/2,y-1/2,-z-1 |
4_544 |
24 |
9 |
12048 |
220.1 |
-2.0 |
0.388 |
2 |
0 |
0 |
0.000 |
| 9 |
45 |
|
C |
26 |
11 |
12050 |
◊ |
G |
-x+1/2,y-1/2,-z-1 |
4_544 |
28 |
11 |
12134 |
200.5 |
-0.0 |
0.567 |
1 |
0 |
0 |
0.000 |
| 10 |
46 |
|
L |
25 |
9 |
12284 |
◊ |
P |
-x+1/2,y-1/2,-z |
4_545 |
19 |
4 |
12048 |
193.1 |
0.1 |
0.553 |
2 |
0 |
0 |
0.000 |
| 11 |
47 |
|
C |
25 |
7 |
12050 |
◊ |
M |
-x+1/2,y-1/2,-z |
4_545 |
22 |
7 |
11776 |
192.4 |
-1.4 |
0.460 |
0 |
0 |
0 |
0.000 |
| 12 |
48 |
|
O |
21 |
6 |
11900 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
23 |
8 |
12161 |
190.6 |
-2.3 |
0.307 |
0 |
0 |
0 |
0.000 |
| 13 |
49 |
|
G |
24 |
9 |
12134 |
◊ |
P |
-x+1/2,y-1/2,-z-1 |
4_544 |
21 |
5 |
12048 |
184.9 |
-0.7 |
0.564 |
0 |
0 |
0 |
0.000 |
| 14 |
50 |
|
C |
22 |
8 |
12050 |
◊ |
L |
-x+1/2,y-1/2,-z |
4_545 |
20 |
5 |
12284 |
179.7 |
-1.0 |
0.373 |
1 |
0 |
0 |
0.000 |
| 15 |
51 |
|
K |
26 |
9 |
11631 |
◊ |
K |
-x+1,y,-z |
2_655 |
26 |
9 |
11631 |
165.9 |
-1.9 |
0.379 |
0 |
0 |
0 |
0.000 |
| 16 |
52 |
|
D |
20 |
4 |
11924 |
◊ |
G |
-x+1/2,y-1/2,-z-1 |
4_544 |
21 |
7 |
12134 |
163.6 |
-2.8 |
0.221 |
1 |
0 |
0 |
0.000 |
| 17 |
53 |
|
M |
18 |
6 |
11776 |
◊ |
J |
-x+1/2,y-1/2,-z |
4_545 |
28 |
8 |
11855 |
140.9 |
-1.1 |
0.443 |
0 |
0 |
0 |
0.000 |
| 18 |
54 |
|
N |
21 |
5 |
11885 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12280 |
134.0 |
2.6 |
0.831 |
1 |
2 |
0 |
0.000 |
55 |
|
O |
12 |
5 |
11900 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
12174 |
133.1 |
3.4 |
0.877 |
2 |
2 |
0 |
0.000 |
56 |
|
I |
11 |
4 |
12227 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
12134 |
109.0 |
3.7 |
0.921 |
0 |
2 |
0 |
0.000 |
57 |
|
J |
14 |
5 |
11855 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
12023 |
104.4 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
58 |
|
K |
9 |
4 |
11631 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
12161 |
77.0 |
1.1 |
0.681 |
0 |
0 |
0 |
0.000 |
59 |
|
M |
12 |
4 |
11776 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
12050 |
75.5 |
1.3 |
0.800 |
1 |
1 |
0 |
0.000 |
60 |
|
L |
6 |
3 |
12284 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
11924 |
65.9 |
1.7 |
0.893 |
2 |
1 |
0 |
0.000 |
61 |
|
P |
7 |
4 |
12048 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12294 |
46.7 |
-0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
| Average: |
93.2 |
1.7 |
0.776 |
1 |
1 |
0 |
0.000 |
| 19 |
62 |
|
G |
15 |
4 |
12134 |
◊ |
I |
-x+1/2,y-1/2,-z-1 |
4_544 |
13 |
5 |
12227 |
128.0 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
| 20 |
63 |
|
B |
10 |
2 |
12280 |
◊ |
F |
-x+1/2,y-1/2,-z-1 |
4_544 |
9 |
3 |
12023 |
73.6 |
-1.0 |
0.385 |
0 |
0 |
0 |
0.000 |
| 21 |
64 |
|
[CA]G:1001 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
14 |
9 |
12134 |
44.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.192 |
65 |
|
[CA]L:1001 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
13 |
8 |
12284 |
43.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.192 |
66 |
|
[CA]B:1001 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
12280 |
43.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.192 |
67 |
|
[CA]H:1001 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
12 |
8 |
12294 |
42.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.192 |
68 |
|
[CA]P:1001 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
12 |
8 |
12048 |
42.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.192 |
69 |
|
[CA]F:1001 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
12023 |
42.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.192 |
70 |
|
[CA]E:1001 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
8 |
12161 |
42.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.192 |
71 |
|
[CA]C:1001 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
12050 |
42.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.192 |
72 |
|
[CA]M:1001 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
12 |
8 |
11776 |
42.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.192 |
73 |
|
[CA]I:1001 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
12 |
8 |
12227 |
42.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.192 |
74 |
|
[CA]N:1001 |
1 |
1 |
85 |
f |
N |
x,y,z |
1_555 |
15 |
8 |
11885 |
42.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.192 |
75 |
|
[CA]J:1001 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
13 |
8 |
11855 |
41.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.192 |
76 |
|
[CA]A:1001 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
12174 |
41.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.192 |
77 |
|
[CA]D:1001 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
11924 |
41.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.192 |
78 |
|
[CA]K:1001 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
13 |
8 |
11631 |
40.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.192 |
79 |
|
[CA]O:1001 |
1 |
1 |
85 |
f |
O |
x,y,z |
1_555 |
11 |
8 |
11900 |
40.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
42.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.192 |
| 22 |
80 |
|
[CA]N:1001 |
1 |
1 |
85 |
f |
[ADP]N:1000 |
x,y,z |
1_555 |
4 |
1 |
563 |
26.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.122 |
81 |
|
[CA]C:1001 |
1 |
1 |
85 |
f |
[ADP]C:1000 |
x,y,z |
1_555 |
4 |
1 |
561 |
25.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.122 |
82 |
|
[CA]M:1001 |
1 |
1 |
85 |
f |
[ADP]M:1000 |
x,y,z |
1_555 |
3 |
1 |
563 |
24.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
83 |
|
[CA]B:1001 |
1 |
1 |
85 |
f |
[ADP]B:1000 |
x,y,z |
1_555 |
4 |
1 |
561 |
24.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.122 |
84 |
|
[CA]O:1001 |
1 |
1 |
85 |
f |
[ADP]O:1000 |
x,y,z |
1_555 |
3 |
1 |
561 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
85 |
|
[CA]F:1001 |
1 |
1 |
85 |
f |
[ADP]F:1000 |
x,y,z |
1_555 |
4 |
1 |
561 |
24.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.122 |
86 |
|
[CA]J:1001 |
1 |
1 |
85 |
f |
[ADP]J:1000 |
x,y,z |
1_555 |
3 |
1 |
559 |
23.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
87 |
|
[CA]A:1001 |
1 |
1 |
85 |
f |
[ADP]A:1000 |
x,y,z |
1_555 |
4 |
1 |
561 |
23.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
88 |
|
[CA]H:1001 |
1 |
1 |
85 |
f |
[ADP]H:1000 |
x,y,z |
1_555 |
3 |
1 |
563 |
23.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
89 |
|
[CA]E:1001 |
1 |
1 |
85 |
f |
[ADP]E:1000 |
x,y,z |
1_555 |
2 |
1 |
562 |
23.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
90 |
|
[CA]L:1001 |
1 |
1 |
85 |
f |
[ADP]L:1000 |
x,y,z |
1_555 |
3 |
1 |
563 |
23.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
91 |
|
[CA]G:1001 |
1 |
1 |
85 |
f |
[ADP]G:1000 |
x,y,z |
1_555 |
3 |
1 |
565 |
23.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
92 |
|
[CA]P:1001 |
1 |
1 |
85 |
f |
[ADP]P:1000 |
x,y,z |
1_555 |
3 |
1 |
560 |
23.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
93 |
|
[CA]K:1001 |
1 |
1 |
85 |
f |
[ADP]K:1000 |
x,y,z |
1_555 |
3 |
1 |
557 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.122 |
94 |
|
[CA]I:1001 |
1 |
1 |
85 |
f |
[ADP]I:1000 |
x,y,z |
1_555 |
3 |
1 |
558 |
22.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.122 |
95 |
|
[CA]D:1001 |
1 |
1 |
85 |
f |
[ADP]D:1000 |
x,y,z |
1_555 |
2 |
1 |
547 |
22.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
23.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.122 |
| 23 |
96 |
|
[ADP]I:1000 |
3 |
1 |
558 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
11855 |
14.0 |
-0.7 |
0.586 |
0 |
0 |
0 |
0.013 |
97 |
|
[ADP]K:1000 |
3 |
1 |
557 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
12284 |
13.4 |
-0.7 |
0.588 |
0 |
0 |
0 |
0.013 |
98 |
|
[ADP]H:1000 |
2 |
1 |
563 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12174 |
13.2 |
-0.6 |
0.542 |
0 |
0 |
0 |
0.013 |
99 |
|
[ADP]O:1000 |
3 |
1 |
561 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
12048 |
13.0 |
-0.6 |
0.595 |
0 |
0 |
0 |
0.013 |
100 |
|
[ADP]A:1000 |
2 |
1 |
561 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12280 |
12.4 |
-0.6 |
0.550 |
0 |
0 |
0 |
0.013 |
101 |
|
[ADP]M:1000 |
2 |
1 |
563 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
11885 |
11.7 |
-0.6 |
0.549 |
0 |
0 |
0 |
0.013 |
102 |
|
[ADP]F:1000 |
1 |
1 |
561 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
12134 |
11.6 |
-0.5 |
0.436 |
0 |
0 |
0 |
0.013 |
103 |
|
[ADP]J:1000 |
1 |
1 |
559 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
11631 |
11.4 |
-0.6 |
0.428 |
0 |
0 |
0 |
0.013 |
104 |
|
[ADP]E:1000 |
2 |
1 |
562 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12023 |
11.0 |
-0.5 |
0.546 |
0 |
0 |
0 |
0.013 |
105 |
|
[ADP]P:1000 |
1 |
1 |
560 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
12227 |
10.6 |
-0.5 |
0.436 |
0 |
0 |
0 |
0.013 |
106 |
|
[ADP]D:1000 |
2 |
1 |
547 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12161 |
9.9 |
-0.4 |
0.600 |
0 |
0 |
0 |
0.013 |
107 |
|
[ADP]C:1000 |
1 |
1 |
561 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11924 |
9.0 |
-0.4 |
0.468 |
0 |
0 |
0 |
0.013 |
108 |
|
[ADP]L:1000 |
2 |
1 |
563 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
11776 |
8.5 |
-0.4 |
0.551 |
0 |
0 |
0 |
0.013 |
109 |
|
[ADP]B:1000 |
1 |
1 |
561 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12050 |
7.6 |
-0.4 |
0.433 |
0 |
0 |
0 |
0.013 |
110 |
|
[ADP]N:1000 |
3 |
1 |
563 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
11900 |
5.9 |
-0.3 |
0.618 |
0 |
0 |
0 |
0.013 |
| Average: |
10.9 |
-0.5 |
0.528 |
0 |
0 |
0 |
0.013 |
| 24 |
111 |
|
[CA]K:1001 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
12284 |
13.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
112 |
|
[CA]I:1001 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
11855 |
12.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
113 |
|
[CA]O:1001 |
1 |
1 |
85 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
12048 |
12.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
114 |
|
[CA]D:1001 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12161 |
11.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.033 |
115 |
|
[CA]A:1001 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12280 |
11.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.033 |
116 |
|
[CA]F:1001 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12134 |
11.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.033 |
117 |
|
[CA]H:1001 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12174 |
11.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.033 |
118 |
|
[CA]L:1001 |
1 |
1 |
85 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
11776 |
11.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.033 |
119 |
|
[CA]J:1001 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
11631 |
11.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.033 |
120 |
|
[CA]P:1001 |
1 |
1 |
85 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
12227 |
10.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.033 |
121 |
|
[CA]G:1001 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12294 |
9.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
122 |
|
[CA]M:1001 |
1 |
1 |
85 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
11885 |
9.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
123 |
|
[CA]B:1001 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12050 |
9.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.033 |
124 |
|
[CA]E:1001 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12023 |
9.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.033 |
125 |
|
[CA]C:1001 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11924 |
8.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.033 |
126 |
|
[CA]N:1001 |
1 |
1 |
85 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
11900 |
8.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 25 |
127 |
|
M |
2 |
2 |
11776 |
◊ |
I |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
12227 |
11.2 |
-0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| 26 |
128 |
|
B |
3 |
1 |
12280 |
◊ |
J |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
11855 |
10.9 |
-0.0 |
0.379 |
0 |
0 |
0 |
0.000 |
| 27 |
129 |
|
C |
2 |
1 |
12050 |
◊ |
I |
x,y-1,z |
1_545 |
2 |
2 |
12227 |
9.2 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
| 28 |
130 |
|
[ADP]G:1000 |
1 |
1 |
565 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
12294 |
5.8 |
-0.3 |
0.420 |
0 |
0 |
0 |
0.000 |
| 29 |
131 |
|
D |
1 |
1 |
11924 |
◊ |
H |
-x+1/2,y-1/2,-z-1 |
4_544 |
1 |
1 |
12294 |
4.5 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
| 30 |
132 |
|
B |
1 |
1 |
12280 |
◊ |
P |
x,y-1,z |
1_545 |
1 |
1 |
12048 |
1.1 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
| 31 |
133 |
|
E |
1 |
1 |
12161 |
◊ |
H |
-x+1/2,y-1/2,-z-1 |
4_544 |
1 |
1 |
12294 |
0.5 |
0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
|