## |
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 |
|
B |
43 |
13 |
17713 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
17620 |
419.7 |
0.7 |
0.670 |
5 |
4 |
0 |
0.062 |
2 |
2 |
|
C |
40 |
14 |
17679 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
43 |
12 |
17713 |
386.3 |
-0.5 |
0.576 |
9 |
0 |
0 |
0.000 |
3 |
|
D |
42 |
13 |
17763 |
◊ |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
39 |
13 |
17620 |
377.1 |
-0.1 |
0.612 |
7 |
0 |
0 |
0.000 |
Average: |
381.7 |
-0.3 |
0.594 |
8 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
34 |
10 |
17763 |
◊ |
B |
x,y,z |
1_555 |
38 |
14 |
17713 |
354.4 |
1.7 |
0.763 |
6 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
31 |
10 |
17679 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
17620 |
294.8 |
-0.8 |
0.465 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
29 |
7 |
17679 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
17713 |
226.1 |
1.0 |
0.720 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
D |
23 |
9 |
17763 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
17620 |
225.6 |
-2.1 |
0.290 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[NAG]D:508 |
12 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
21 |
9 |
17763 |
170.1 |
5.8 |
0.537 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[NAG]C:508 |
13 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
20 |
11 |
17679 |
168.3 |
5.6 |
0.466 |
2 |
0 |
0 |
0.000 |
10 |
|
[NAG]A:507 |
13 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
17620 |
162.8 |
5.2 |
0.423 |
2 |
0 |
0 |
0.000 |
Average: |
165.6 |
5.4 |
0.444 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[NAG]B:506 |
13 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
18 |
10 |
17713 |
168.2 |
4.9 |
0.478 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
C |
16 |
7 |
17679 |
x |
C |
x-1/2,-y+3/2,-z+2 |
4_467 |
13 |
5 |
17679 |
166.0 |
-1.4 |
0.204 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[NAG]A:511 |
12 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
23 |
8 |
17620 |
155.4 |
4.3 |
0.451 |
2 |
0 |
0 |
0.000 |
14 |
|
[NAG]B:514 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
25 |
9 |
17713 |
155.4 |
4.5 |
0.531 |
2 |
0 |
0 |
0.000 |
Average: |
155.4 |
4.4 |
0.491 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[NAG]C:512 |
12 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
23 |
9 |
17679 |
153.3 |
4.6 |
0.488 |
3 |
0 |
0 |
0.000 |
13 |
16 |
|
[NAG]D:515 |
11 |
1 |
348 |
cf |
D |
x,y,z |
1_555 |
24 |
9 |
17763 |
150.4 |
3.8 |
0.469 |
2 |
0 |
0 |
0.000 |
14 |
17 |
|
A |
16 |
5 |
17620 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
18 |
6 |
17713 |
140.6 |
-1.4 |
0.250 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[NAG]A:504 |
12 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
17 |
8 |
17620 |
136.3 |
3.7 |
0.371 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[NAG]B:509 |
11 |
1 |
354 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
16 |
7 |
17620 |
128.2 |
2.7 |
0.277 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[NAG]C:504 |
11 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
20 |
8 |
17679 |
124.8 |
1.9 |
0.275 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[NAG]D:510 |
9 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
22 |
6 |
17763 |
123.5 |
2.9 |
0.433 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
D |
17 |
5 |
17763 |
◊ |
C |
x-1/2,-y+3/2,-z+2 |
4_467 |
15 |
5 |
17679 |
121.1 |
-0.8 |
0.398 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[NAG]B:510 |
11 |
1 |
362 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
16 |
6 |
17620 |
116.6 |
2.1 |
0.240 |
2 |
0 |
0 |
0.000 |
24 |
|
[NAG]D:511 |
11 |
1 |
360 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
6 |
17679 |
112.9 |
1.7 |
0.230 |
2 |
0 |
0 |
0.000 |
Average: |
114.8 |
1.9 |
0.235 |
2 |
0 |
0 |
0.000 |
21 |
25 |
|
[NAG]A:505 |
13 |
1 |
368 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
17620 |
116.5 |
2.2 |
0.235 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[FUC]C:503 |
8 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
17679 |
116.2 |
2.6 |
0.396 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[NAG]D:505 |
11 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
17679 |
114.7 |
1.6 |
0.223 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[MAN]B:512 |
8 |
1 |
287 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
17 |
6 |
17620 |
113.9 |
1.2 |
0.313 |
2 |
0 |
0 |
0.000 |
25 |
29 |
|
[NAG]D:504 |
10 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
17 |
7 |
17763 |
113.0 |
3.9 |
0.481 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
D |
16 |
8 |
17763 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
17679 |
111.9 |
1.5 |
0.753 |
2 |
0 |
0 |
0.000 |
27 |
31 |
|
[NAG]A:509 |
11 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
16 |
5 |
17620 |
111.4 |
2.5 |
0.283 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[NAG]B:509 |
11 |
1 |
354 |
cf |
B |
x,y,z |
1_555 |
17 |
5 |
17713 |
109.9 |
2.7 |
0.294 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[MAN]D:514 |
9 |
1 |
295 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
5 |
17679 |
109.0 |
1.1 |
0.226 |
3 |
0 |
0 |
0.000 |
30 |
34 |
|
[FUC]A:503 |
8 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17620 |
108.2 |
3.2 |
0.449 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[FUC]D:503 |
9 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
17763 |
106.9 |
2.3 |
0.365 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[MAN]D:513 |
8 |
1 |
291 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
6 |
17679 |
103.8 |
1.9 |
0.351 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[NAG]B:501 |
10 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
12 |
7 |
17713 |
103.6 |
3.3 |
0.367 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[NAG]B:504 |
10 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
17713 |
103.2 |
3.5 |
0.406 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[NAG]C:506 |
10 |
1 |
351 |
cf |
C |
x,y,z |
1_555 |
18 |
6 |
17679 |
103.1 |
3.3 |
0.368 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[NAG]C:510 |
11 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
17679 |
101.8 |
2.0 |
0.239 |
1 |
0 |
0 |
0.000 |
37 |
41 |
|
[NAG]D:501 |
10 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
13 |
7 |
17763 |
100.4 |
3.3 |
0.381 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[NAG]D:509 |
8 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
17763 |
99.9 |
2.7 |
0.473 |
0 |
0 |
0 |
0.000 |
43 |
|
[NAG]B:507 |
8 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17713 |
93.6 |
2.5 |
0.436 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]A:508 |
7 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17620 |
86.9 |
2.7 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
93.5 |
2.6 |
0.480 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[NAG]D:510 |
9 |
1 |
360 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
5 |
17679 |
98.9 |
2.1 |
0.318 |
2 |
0 |
0 |
0.000 |
40 |
46 |
|
B |
14 |
5 |
17713 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
9 |
4 |
17620 |
98.9 |
-1.2 |
0.300 |
0 |
0 |
0 |
0.000 |
47 |
|
D |
10 |
4 |
17763 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
5 |
17679 |
83.3 |
-0.5 |
0.337 |
0 |
0 |
0 |
0.000 |
Average: |
91.1 |
-0.8 |
0.319 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[FUC]B:503 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
17713 |
98.5 |
1.6 |
0.322 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[NAG]A:501 |
9 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
13 |
7 |
17620 |
97.9 |
3.1 |
0.452 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[NAG]C:509 |
9 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
17679 |
95.3 |
2.6 |
0.370 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[MAN]B:511 |
8 |
1 |
284 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
19 |
7 |
17620 |
92.6 |
-0.3 |
0.156 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[NAG]C:501 |
10 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
12 |
5 |
17679 |
90.8 |
3.0 |
0.370 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[MAN]B:513 |
8 |
1 |
283 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
16 |
7 |
17620 |
90.3 |
1.8 |
0.362 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[MAN]D:506 |
8 |
1 |
287 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
17679 |
89.7 |
2.1 |
0.428 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[MAN]D:512 |
9 |
1 |
281 |
◊ |
C |
x-1,y,z |
1_455 |
16 |
6 |
17679 |
89.6 |
0.6 |
0.238 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[MAN]C:515 |
8 |
1 |
286 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
17679 |
82.8 |
1.4 |
0.271 |
1 |
0 |
0 |
0.000 |
50 |
57 |
|
D |
8 |
3 |
17763 |
◊ |
B |
x-1/2,-y+5/2,-z+2 |
4_477 |
9 |
3 |
17713 |
79.9 |
2.2 |
0.913 |
0 |
0 |
0 |
0.000 |
51 |
58 |
|
[NAG]C:511 |
9 |
1 |
357 |
cf |
[NAG]C:510 |
x,y,z |
1_555 |
6 |
1 |
356 |
76.8 |
3.0 |
0.159 |
0 |
0 |
0 |
0.000 |
52 |
59 |
|
[NAG]B:507 |
10 |
1 |
362 |
cf |
[NAG]B:506 |
x,y,z |
1_555 |
7 |
1 |
358 |
75.7 |
2.0 |
0.089 |
1 |
0 |
0 |
0.000 |
60 |
|
[NAG]B:510 |
9 |
1 |
362 |
cf |
[NAG]B:509 |
x,y,z |
1_555 |
6 |
1 |
354 |
72.4 |
1.7 |
0.085 |
1 |
0 |
0 |
0.000 |
61 |
|
[NAG]A:508 |
10 |
1 |
362 |
cf |
[NAG]A:507 |
x,y,z |
1_555 |
6 |
1 |
357 |
69.7 |
1.5 |
0.088 |
0 |
0 |
0 |
0.000 |
Average: |
72.6 |
1.7 |
0.087 |
1 |
0 |
0 |
0.000 |
53 |
62 |
|
[NAG]A:512 |
10 |
1 |
360 |
cf |
[NAG]A:511 |
x,y,z |
1_555 |
6 |
1 |
359 |
73.8 |
1.8 |
0.079 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAG]D:509 |
10 |
1 |
360 |
cf |
[NAG]D:508 |
x,y,z |
1_555 |
6 |
1 |
357 |
71.8 |
1.8 |
0.092 |
0 |
0 |
0 |
0.000 |
Average: |
72.8 |
1.8 |
0.086 |
0 |
0 |
0 |
0.000 |
54 |
64 |
|
[NAG]A:510 |
9 |
1 |
354 |
cf |
[NAG]A:509 |
x,y,z |
1_555 |
5 |
1 |
357 |
73.7 |
1.8 |
0.115 |
0 |
0 |
0 |
0.000 |
55 |
65 |
|
[NAG]D:505 |
10 |
1 |
354 |
cf |
[NAG]D:504 |
x,y,z |
1_555 |
6 |
1 |
360 |
73.4 |
1.9 |
0.090 |
1 |
0 |
0 |
0.000 |
56 |
66 |
|
[NAG]C:502 |
9 |
1 |
353 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
8 |
1 |
361 |
73.0 |
1.8 |
0.073 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[FUC]C:507 |
7 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
17679 |
72.6 |
0.6 |
0.252 |
0 |
0 |
0 |
0.000 |
58 |
68 |
|
D |
9 |
4 |
17763 |
◊ |
A |
x-1/2,-y+5/2,-z+2 |
4_477 |
9 |
3 |
17620 |
72.5 |
-0.7 |
0.393 |
1 |
0 |
0 |
0.000 |
59 |
69 |
|
[FUC]A:506 |
5 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
17620 |
72.3 |
1.0 |
0.367 |
0 |
0 |
0 |
0.000 |
60 |
70 |
|
[NAG]C:505 |
8 |
1 |
353 |
cf |
[NAG]C:504 |
x,y,z |
1_555 |
6 |
1 |
352 |
71.6 |
1.5 |
0.084 |
1 |
0 |
0 |
0.000 |
61 |
71 |
|
[NAG]C:513 |
7 |
1 |
351 |
cf |
[NAG]C:512 |
x,y,z |
1_555 |
8 |
1 |
359 |
70.2 |
1.3 |
0.084 |
0 |
0 |
0 |
0.000 |
62 |
72 |
|
[NAG]D:516 |
9 |
1 |
354 |
cf |
[NAG]D:515 |
x,y,z |
1_555 |
6 |
1 |
348 |
70.1 |
1.7 |
0.097 |
0 |
0 |
0 |
0.000 |
63 |
73 |
|
[NAG]A:502 |
8 |
1 |
358 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
353 |
69.3 |
1.2 |
0.078 |
0 |
0 |
0 |
0.000 |
74 |
|
[NAG]D:511 |
7 |
1 |
360 |
cf |
[NAG]D:510 |
x,y,z |
1_555 |
7 |
1 |
360 |
67.3 |
1.3 |
0.107 |
0 |
0 |
0 |
0.000 |
Average: |
68.3 |
1.2 |
0.092 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[NAG]D:502 |
9 |
1 |
363 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
6 |
1 |
364 |
68.6 |
1.3 |
0.072 |
1 |
0 |
0 |
0.000 |
65 |
76 |
|
[NAG]C:509 |
10 |
1 |
362 |
cf |
[NAG]C:508 |
x,y,z |
1_555 |
6 |
1 |
359 |
67.9 |
1.5 |
0.074 |
0 |
0 |
0 |
0.000 |
66 |
77 |
|
[NAG]B:515 |
9 |
1 |
353 |
cf |
[NAG]B:514 |
x,y,z |
1_555 |
6 |
1 |
360 |
67.2 |
1.5 |
0.096 |
0 |
0 |
0 |
0.000 |
67 |
78 |
|
[FUC]B:505 |
6 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17713 |
66.9 |
1.4 |
0.343 |
0 |
0 |
0 |
0.000 |
68 |
79 |
|
[FU4]D:507 |
5 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17763 |
66.7 |
1.7 |
0.410 |
0 |
0 |
0 |
0.000 |
69 |
80 |
|
[NAG]B:502 |
8 |
1 |
358 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
6 |
1 |
358 |
66.1 |
1.7 |
0.093 |
0 |
0 |
0 |
0.000 |
70 |
81 |
|
[MAN]B:508 |
5 |
1 |
291 |
cf |
[NAG]B:507 |
x,y,z |
1_555 |
6 |
1 |
362 |
65.0 |
1.3 |
0.119 |
0 |
0 |
0 |
0.000 |
71 |
82 |
|
[FU4]D:507 |
5 |
1 |
275 |
cf |
[NAG]D:504 |
x,y,z |
1_555 |
7 |
1 |
360 |
61.9 |
2.5 |
0.197 |
0 |
0 |
0 |
0.000 |
72 |
83 |
|
[MAN]C:514 |
5 |
1 |
294 |
cf |
[NAG]C:513 |
x,y,z |
1_555 |
7 |
1 |
351 |
61.2 |
2.0 |
0.179 |
0 |
0 |
0 |
0.000 |
73 |
84 |
|
[MAN]D:512 |
5 |
1 |
281 |
cf |
[NAG]D:511 |
x,y,z |
1_555 |
6 |
1 |
360 |
59.5 |
0.8 |
0.155 |
1 |
0 |
0 |
0.000 |
74 |
85 |
|
[MAN]B:511 |
7 |
1 |
284 |
cf |
[NAG]B:510 |
x,y,z |
1_555 |
6 |
1 |
362 |
59.4 |
1.9 |
0.164 |
0 |
0 |
0 |
0.000 |
75 |
86 |
|
[MAN]D:506 |
5 |
1 |
287 |
cf |
[NAG]D:505 |
x,y,z |
1_555 |
5 |
1 |
354 |
59.3 |
0.9 |
0.143 |
0 |
0 |
0 |
0.000 |
76 |
87 |
|
[FUC]C:503 |
6 |
1 |
280 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
6 |
1 |
361 |
58.9 |
2.1 |
0.140 |
0 |
0 |
0 |
0.000 |
77 |
88 |
|
[FUC]D:503 |
5 |
1 |
276 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
6 |
1 |
364 |
58.7 |
1.8 |
0.183 |
0 |
0 |
0 |
0.000 |
78 |
89 |
|
[FUC]A:503 |
6 |
1 |
277 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
8 |
1 |
353 |
58.7 |
2.1 |
0.133 |
0 |
0 |
0 |
0.000 |
79 |
90 |
|
[MAN]D:513 |
7 |
1 |
291 |
cf |
[MAN]D:512 |
x,y,z |
1_555 |
5 |
1 |
281 |
57.9 |
2.6 |
0.239 |
0 |
0 |
0 |
0.000 |
80 |
91 |
|
[NAG]C:505 |
7 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
17713 |
57.8 |
0.7 |
0.202 |
0 |
0 |
0 |
0.000 |
81 |
92 |
|
[FUC]A:506 |
6 |
1 |
277 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
4 |
1 |
368 |
56.7 |
1.8 |
0.220 |
0 |
0 |
0 |
0.000 |
82 |
93 |
|
[MAN]B:512 |
7 |
1 |
287 |
cf |
[MAN]B:511 |
x,y,z |
1_555 |
6 |
1 |
284 |
56.1 |
1.5 |
0.156 |
1 |
0 |
0 |
0.000 |
83 |
94 |
|
[FUC]B:503 |
5 |
1 |
274 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
6 |
1 |
358 |
56.0 |
2.2 |
0.207 |
0 |
0 |
0 |
0.000 |
84 |
95 |
|
[MAN]B:513 |
7 |
1 |
283 |
cf |
[MAN]B:511 |
x,y,z |
1_555 |
5 |
1 |
284 |
55.8 |
1.6 |
0.163 |
0 |
0 |
0 |
0.000 |
85 |
96 |
|
[MAN]D:514 |
7 |
1 |
295 |
cf |
[MAN]D:512 |
x,y,z |
1_555 |
6 |
1 |
281 |
55.2 |
2.6 |
0.222 |
0 |
0 |
0 |
0.000 |
86 |
97 |
|
[FUC]C:507 |
5 |
1 |
280 |
cf |
[NAG]C:506 |
x,y,z |
1_555 |
4 |
1 |
351 |
55.1 |
2.1 |
0.265 |
0 |
0 |
0 |
0.000 |
87 |
98 |
|
[NAG]D:511 |
3 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
17763 |
53.5 |
1.6 |
0.518 |
0 |
0 |
0 |
0.000 |
99 |
|
[NAG]B:510 |
3 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
17713 |
51.4 |
1.4 |
0.498 |
0 |
0 |
0 |
0.000 |
Average: |
52.4 |
1.5 |
0.508 |
0 |
0 |
0 |
0.000 |
88 |
100 |
|
[MAN]D:506 |
5 |
1 |
287 |
f |
[MAN]C:515 |
x,y,z |
1_555 |
5 |
1 |
286 |
53.5 |
1.8 |
0.231 |
0 |
0 |
0 |
0.000 |
89 |
101 |
|
[FUC]B:505 |
6 |
1 |
280 |
cf |
[NAG]B:504 |
x,y,z |
1_555 |
3 |
1 |
358 |
52.7 |
2.5 |
0.302 |
0 |
0 |
0 |
0.000 |
90 |
102 |
|
[NAG]A:512 |
6 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
17620 |
51.7 |
0.6 |
0.093 |
0 |
0 |
0 |
0.000 |
91 |
103 |
|
[NAG]B:502 |
3 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
17620 |
51.3 |
1.3 |
0.518 |
0 |
0 |
0 |
0.000 |
92 |
104 |
|
[NAG]C:504 |
6 |
1 |
352 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17620 |
47.1 |
0.2 |
0.168 |
0 |
0 |
0 |
0.000 |
93 |
105 |
|
[NAG]B:515 |
8 |
1 |
353 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
17713 |
46.6 |
0.5 |
0.123 |
0 |
0 |
0 |
0.000 |
94 |
106 |
|
[NAG]C:505 |
4 |
1 |
353 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17620 |
46.2 |
1.6 |
0.537 |
0 |
0 |
0 |
0.000 |
95 |
107 |
|
[FUC]B:503 |
4 |
1 |
274 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
358 |
44.0 |
2.5 |
0.257 |
0 |
0 |
0 |
0.000 |
96 |
108 |
|
[FUC]C:503 |
5 |
1 |
280 |
f |
[NAG]C:502 |
x,y,z |
1_555 |
5 |
1 |
353 |
43.4 |
2.5 |
0.228 |
0 |
0 |
0 |
0.000 |
97 |
109 |
|
[FUC]A:503 |
5 |
1 |
277 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
7 |
1 |
358 |
42.2 |
2.3 |
0.154 |
0 |
0 |
0 |
0.000 |
98 |
110 |
|
[ZN]D:518 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
17763 |
41.9 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.983 |
111 |
|
[ZN]A:514 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
17620 |
41.5 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.983 |
Average: |
41.7 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.983 |
99 |
112 |
|
[ZN]D:519 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
17763 |
41.8 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.983 |
113 |
|
[ZN]A:515 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
17620 |
41.5 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.983 |
Average: |
41.7 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.983 |
100 |
114 |
|
[NAG]D:502 |
5 |
1 |
363 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
17763 |
40.5 |
1.1 |
0.373 |
0 |
0 |
0 |
0.000 |
115 |
|
[NAG]C:502 |
3 |
1 |
353 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
17679 |
20.6 |
0.9 |
0.453 |
0 |
0 |
0 |
0.000 |
Average: |
30.6 |
1.0 |
0.413 |
0 |
0 |
0 |
0.000 |
101 |
116 |
|
[MAN]B:508 |
3 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
17713 |
38.9 |
0.4 |
0.324 |
0 |
0 |
0 |
0.000 |
102 |
117 |
|
[NAG]C:513 |
5 |
1 |
351 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
17679 |
36.2 |
0.3 |
0.198 |
0 |
0 |
0 |
0.000 |
103 |
118 |
|
[NAG]D:516 |
6 |
1 |
354 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
17763 |
35.9 |
0.4 |
0.167 |
0 |
0 |
0 |
0.000 |
104 |
119 |
|
[ZN]A:516 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
17713 |
34.8 |
-20.7 |
0.000 |
0 |
0 |
0 |
1.000 |
120 |
|
[ZN]A:516 |
1 |
1 |
98 |
c |
A |
x,y,z |
1_555 |
7 |
3 |
17620 |
33.2 |
-18.4 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
34.0 |
-19.6 |
0.000 |
0 |
0 |
0 |
1.000 |
105 |
121 |
|
[FUC]D:503 |
3 |
1 |
276 |
f |
[NAG]D:502 |
x,y,z |
1_555 |
5 |
1 |
363 |
29.6 |
1.4 |
0.267 |
0 |
0 |
0 |
0.000 |
106 |
122 |
|
D |
5 |
3 |
17763 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
17713 |
28.5 |
-0.3 |
0.420 |
0 |
0 |
0 |
0.000 |
107 |
123 |
|
[FU4]D:507 |
5 |
1 |
275 |
f |
[NAG]D:505 |
x,y,z |
1_555 |
4 |
1 |
354 |
28.4 |
1.2 |
0.176 |
0 |
0 |
0 |
0.000 |
108 |
124 |
|
[NAG]C:505 |
2 |
1 |
353 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
17679 |
27.7 |
0.7 |
0.474 |
1 |
0 |
0 |
0.000 |
109 |
125 |
|
[NAG]A:502 |
3 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
17763 |
27.6 |
0.3 |
0.327 |
1 |
0 |
0 |
0.000 |
110 |
126 |
|
[NAG]B:501 |
5 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17620 |
26.1 |
0.2 |
0.192 |
0 |
0 |
0 |
0.000 |
111 |
127 |
|
[NAG]D:504 |
5 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
17679 |
24.7 |
0.5 |
0.310 |
0 |
0 |
0 |
0.000 |
112 |
128 |
|
[NAG]A:501 |
3 |
1 |
353 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17763 |
24.5 |
0.5 |
0.279 |
0 |
0 |
0 |
0.000 |
113 |
129 |
|
[MAN]D:506 |
2 |
1 |
287 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17620 |
22.3 |
-0.3 |
0.231 |
0 |
0 |
0 |
0.000 |
114 |
130 |
|
[NAG]A:502 |
4 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
17620 |
22.2 |
0.8 |
0.402 |
0 |
0 |
0 |
0.000 |
115 |
131 |
|
[MAN]C:515 |
3 |
1 |
286 |
f |
[NAG]D:505 |
x,y,z |
1_555 |
3 |
1 |
354 |
20.0 |
0.4 |
0.186 |
0 |
0 |
0 |
0.000 |
116 |
132 |
|
[NAG]B:501 |
2 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
17763 |
18.5 |
0.5 |
0.429 |
0 |
0 |
0 |
0.000 |
117 |
133 |
|
D |
2 |
1 |
17763 |
◊ |
[NAG]C:502 |
x-1/2,-y+3/2,-z+2 |
4_467 |
3 |
1 |
353 |
18.1 |
-0.5 |
0.150 |
0 |
0 |
0 |
0.000 |
118 |
134 |
|
[NAG]A:510 |
1 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
17620 |
18.0 |
-0.0 |
0.404 |
0 |
0 |
0 |
0.001 |
119 |
135 |
|
[NAG]D:505 |
3 |
1 |
354 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
17713 |
17.8 |
0.6 |
0.415 |
0 |
0 |
0 |
0.000 |
120 |
136 |
|
[NAG]A:501 |
4 |
1 |
353 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17713 |
17.2 |
0.2 |
0.259 |
0 |
0 |
0 |
0.000 |
121 |
137 |
|
[ZN]C:518 |
1 |
1 |
98 |
f |
[ZN]C:517 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.100 |
122 |
138 |
|
[ZN]B:518 |
1 |
1 |
98 |
f |
[ZN]B:517 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.100 |
123 |
139 |
|
[NAG]C:511 |
2 |
1 |
357 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
17679 |
16.5 |
-0.1 |
0.271 |
0 |
0 |
0 |
0.000 |
124 |
140 |
|
[MAN]D:514 |
2 |
1 |
295 |
f |
[NAG]D:511 |
x,y,z |
1_555 |
2 |
1 |
360 |
15.6 |
0.6 |
0.232 |
0 |
0 |
0 |
0.000 |
125 |
141 |
|
[NAG]B:502 |
5 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
17713 |
15.4 |
0.5 |
0.254 |
0 |
0 |
0 |
0.000 |
126 |
142 |
|
[ZN]A:515 |
1 |
1 |
98 |
f |
[ZN]A:514 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.360 |
127 |
143 |
|
[ZN]D:519 |
1 |
1 |
98 |
f |
[ZN]D:518 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.041 |
128 |
144 |
|
[MAN]B:512 |
3 |
1 |
287 |
f |
[NAG]B:510 |
x,y,z |
1_555 |
3 |
1 |
362 |
13.0 |
0.5 |
0.254 |
0 |
0 |
0 |
0.000 |
129 |
145 |
|
[NAG]A:510 |
1 |
1 |
354 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17679 |
12.1 |
0.5 |
0.429 |
0 |
0 |
0 |
0.000 |
130 |
146 |
|
D |
2 |
2 |
17763 |
◊ |
[FUC]C:503 |
x-1/2,-y+3/2,-z+2 |
4_467 |
3 |
1 |
280 |
12.1 |
-0.0 |
0.222 |
0 |
0 |
0 |
0.000 |
131 |
147 |
|
[MAN]C:514 |
2 |
1 |
294 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
17679 |
11.7 |
0.2 |
0.201 |
0 |
0 |
0 |
0.000 |
132 |
148 |
|
[NAG]C:504 |
2 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17713 |
8.8 |
0.4 |
0.431 |
0 |
0 |
0 |
0.000 |
133 |
149 |
|
[NAG]D:509 |
1 |
1 |
360 |
◊ |
[NAG]C:510 |
x,y,z |
1_555 |
1 |
1 |
356 |
7.1 |
0.3 |
0.202 |
0 |
0 |
0 |
0.000 |
134 |
150 |
|
[NAG]D:508 |
1 |
1 |
357 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
17679 |
6.6 |
0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
135 |
151 |
|
[MAN]B:513 |
2 |
1 |
283 |
f |
[NAG]B:510 |
x,y,z |
1_555 |
2 |
1 |
362 |
5.9 |
-0.2 |
0.201 |
0 |
0 |
0 |
0.005 |
136 |
152 |
|
[MAN]D:513 |
3 |
1 |
291 |
f |
[NAG]D:511 |
x,y,z |
1_555 |
1 |
1 |
360 |
5.5 |
0.0 |
0.148 |
0 |
0 |
0 |
0.000 |
137 |
153 |
|
[FUC]A:503 |
2 |
1 |
277 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17763 |
5.2 |
0.2 |
0.471 |
0 |
0 |
0 |
0.000 |
138 |
154 |
|
[NAG]A:504 |
1 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17713 |
3.2 |
0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
139 |
155 |
|
[MAN]C:514 |
1 |
1 |
294 |
f |
[NAG]C:512 |
x,y,z |
1_555 |
1 |
1 |
359 |
2.8 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
140 |
156 |
|
[NAG]B:502 |
1 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17763 |
1.8 |
-0.0 |
0.272 |
0 |
0 |
0 |
0.000 |
|