## |
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 |
73 |
22 |
10063 |
◊ |
C |
x,y,z |
1_555 |
79 |
22 |
10336 |
817.4 |
-5.3 |
0.432 |
9 |
3 |
0 |
0.000 |
2 |
|
B |
73 |
23 |
10260 |
◊ |
A |
x,y,z |
1_555 |
75 |
22 |
10537 |
803.9 |
-6.2 |
0.260 |
8 |
3 |
0 |
0.000 |
Average: |
810.6 |
-5.8 |
0.346 |
9 |
3 |
0 |
0.000 |
2 |
3 |
|
C |
45 |
15 |
10336 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
49 |
16 |
10260 |
430.8 |
0.8 |
0.768 |
6 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
36 |
9 |
10537 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
43 |
14 |
10260 |
314.6 |
0.6 |
0.675 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
30 |
10 |
10336 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
10260 |
271.8 |
0.3 |
0.592 |
4 |
0 |
0 |
0.000 |
6 |
|
D |
26 |
11 |
10063 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
10537 |
262.9 |
-0.0 |
0.616 |
3 |
0 |
0 |
0.000 |
Average: |
267.3 |
0.1 |
0.604 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
[GLA]A:400 |
11 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
10537 |
174.8 |
2.2 |
0.309 |
5 |
0 |
0 |
0.000 |
8 |
|
[GLA]B:400 |
11 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
10260 |
173.6 |
2.4 |
0.348 |
5 |
0 |
0 |
0.000 |
9 |
|
[GLA]C:400 |
11 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
24 |
14 |
10336 |
170.5 |
2.9 |
0.433 |
5 |
0 |
0 |
0.000 |
Average: |
172.9 |
2.5 |
0.363 |
5 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
11 |
4 |
10537 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
5 |
10260 |
139.4 |
-1.9 |
0.226 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
[NAG]D:501 |
10 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
21 |
7 |
10063 |
132.3 |
2.8 |
0.420 |
0 |
0 |
0 |
0.000 |
12 |
|
[NAG]A:501 |
11 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
10537 |
131.1 |
2.9 |
0.370 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:501 |
11 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
10260 |
127.6 |
2.5 |
0.333 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]C:501 |
10 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
19 |
7 |
10336 |
126.2 |
2.6 |
0.379 |
0 |
0 |
0 |
0.000 |
Average: |
129.3 |
2.7 |
0.376 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
A |
13 |
4 |
10537 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
18 |
9 |
10063 |
128.0 |
1.0 |
0.798 |
4 |
4 |
0 |
0.000 |
9 |
16 |
|
[NAG]A:601 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
10537 |
115.9 |
3.5 |
0.405 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
D |
12 |
6 |
10063 |
◊ |
D |
-x+1,-y,z |
2_655 |
12 |
6 |
10063 |
114.3 |
0.4 |
0.763 |
4 |
0 |
0 |
0.000 |
11 |
18 |
|
[NAG]C:601 |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
12 |
4 |
10336 |
109.9 |
3.1 |
0.415 |
1 |
0 |
0 |
0.000 |
12 |
19 |
|
[NAG]D:601 |
9 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
12 |
5 |
10063 |
107.5 |
2.8 |
0.367 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
[NAG]B:601 |
9 |
1 |
367 |
cf |
B |
x,y,z |
1_555 |
13 |
5 |
10260 |
104.9 |
3.1 |
0.483 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[GAL]C:401 |
8 |
1 |
296 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10336 |
101.0 |
0.2 |
0.168 |
1 |
0 |
0 |
0.008 |
22 |
|
[GAL]A:401 |
9 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10537 |
94.8 |
0.6 |
0.193 |
1 |
0 |
0 |
0.008 |
Average: |
97.9 |
0.4 |
0.181 |
1 |
0 |
0 |
0.008 |
15 |
23 |
|
[GAL]B:401 |
9 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10260 |
92.8 |
0.1 |
0.168 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
C |
8 |
4 |
10336 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
8 |
4 |
10336 |
81.7 |
-0.2 |
0.580 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
D |
13 |
4 |
10063 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
5 |
10336 |
81.0 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[FUC]A:602 |
8 |
1 |
282 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
8 |
1 |
363 |
79.9 |
3.4 |
0.169 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[NDG]B:603 |
8 |
1 |
361 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
8 |
1 |
367 |
78.1 |
2.4 |
0.098 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[NAG]C:603 |
8 |
1 |
360 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
7 |
1 |
362 |
75.6 |
1.8 |
0.103 |
2 |
0 |
0 |
0.000 |
21 |
29 |
|
[FUC]D:602 |
6 |
1 |
281 |
f |
[NAG]D:603 |
x,y,z |
1_555 |
9 |
1 |
356 |
75.4 |
3.9 |
0.216 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[FUC]D:602 |
7 |
1 |
281 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
6 |
1 |
357 |
75.4 |
2.6 |
0.196 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[NAG]D:503 |
9 |
1 |
361 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
7 |
1 |
360 |
74.5 |
1.9 |
0.085 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
D |
8 |
3 |
10063 |
◊ |
[FUC]B:602 |
x,y,z-1 |
1_554 |
7 |
1 |
281 |
74.3 |
-0.3 |
0.144 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[NAG]A:503 |
9 |
1 |
362 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
8 |
1 |
357 |
73.9 |
1.5 |
0.067 |
1 |
0 |
0 |
0.000 |
34 |
|
[NAG]C:503 |
8 |
1 |
363 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
7 |
1 |
358 |
69.4 |
1.4 |
0.087 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]B:503 |
8 |
1 |
357 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
7 |
1 |
356 |
69.1 |
1.3 |
0.073 |
1 |
0 |
0 |
0.000 |
36 |
|
[NAG]D:603 |
7 |
1 |
356 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
6 |
1 |
357 |
68.2 |
1.3 |
0.112 |
1 |
0 |
0 |
0.000 |
Average: |
70.1 |
1.4 |
0.085 |
1 |
0 |
0 |
0.000 |
26 |
37 |
|
[FUC]B:502 |
8 |
1 |
281 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
8 |
1 |
356 |
72.7 |
2.8 |
0.142 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[FUC]C:502 |
7 |
1 |
280 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
6 |
1 |
358 |
72.1 |
2.8 |
0.219 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[FUC]B:602 |
7 |
1 |
281 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
8 |
1 |
367 |
70.7 |
2.5 |
0.161 |
0 |
0 |
0 |
0.000 |
40 |
|
[FUC]A:502 |
7 |
1 |
281 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
6 |
1 |
357 |
70.0 |
2.7 |
0.228 |
0 |
0 |
0 |
0.000 |
Average: |
70.4 |
2.6 |
0.194 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[NAG]A:603 |
8 |
1 |
361 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
6 |
1 |
363 |
70.3 |
1.7 |
0.099 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[NDG]B:603 |
9 |
1 |
361 |
f |
[FUC]B:602 |
x,y,z |
1_555 |
7 |
1 |
281 |
68.0 |
3.8 |
0.134 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[GLC]B:402 |
6 |
1 |
302 |
cf |
[GAL]B:401 |
x,y,z |
1_555 |
7 |
1 |
296 |
67.7 |
1.3 |
0.112 |
1 |
0 |
0 |
0.000 |
44 |
|
[GLC]A:402 |
5 |
1 |
303 |
cf |
[GAL]A:401 |
x,y,z |
1_555 |
7 |
1 |
292 |
62.8 |
1.7 |
0.164 |
0 |
0 |
0 |
0.000 |
Average: |
65.3 |
1.5 |
0.138 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[FUC]D:502 |
7 |
1 |
281 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
7 |
1 |
360 |
67.4 |
2.4 |
0.125 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
[FUC]B:502 |
7 |
1 |
281 |
f |
[NAG]B:503 |
x,y,z |
1_555 |
7 |
1 |
357 |
65.0 |
2.5 |
0.153 |
1 |
0 |
0 |
0.000 |
34 |
47 |
|
[GLC]C:402 |
5 |
1 |
303 |
cf |
[GAL]C:401 |
x,y,z |
1_555 |
7 |
1 |
296 |
64.6 |
1.5 |
0.135 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[GAL]B:401 |
6 |
1 |
296 |
cf |
[GLA]B:400 |
x,y,z |
1_555 |
7 |
1 |
295 |
64.5 |
1.9 |
0.157 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[FUC]D:502 |
7 |
1 |
281 |
f |
[NAG]D:503 |
x,y,z |
1_555 |
7 |
1 |
361 |
64.4 |
2.8 |
0.146 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[FUC]A:502 |
7 |
1 |
281 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
8 |
1 |
362 |
64.0 |
2.7 |
0.159 |
1 |
0 |
0 |
0.000 |
51 |
|
[FUC]C:502 |
7 |
1 |
280 |
f |
[NAG]C:503 |
x,y,z |
1_555 |
6 |
1 |
363 |
60.9 |
2.7 |
0.245 |
0 |
0 |
0 |
0.000 |
Average: |
62.4 |
2.7 |
0.202 |
1 |
0 |
0 |
0.000 |
38 |
52 |
|
[NAG]C:503 |
6 |
1 |
363 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
2 |
10260 |
63.7 |
1.2 |
0.358 |
1 |
0 |
0 |
0.000 |
39 |
53 |
|
[GAL]C:401 |
6 |
1 |
296 |
cf |
[GLA]C:400 |
x,y,z |
1_555 |
7 |
1 |
292 |
62.6 |
2.1 |
0.164 |
0 |
0 |
0 |
0.000 |
54 |
|
[GAL]A:401 |
5 |
1 |
292 |
cf |
[GLA]A:400 |
x,y,z |
1_555 |
7 |
1 |
294 |
61.2 |
2.1 |
0.153 |
0 |
0 |
0 |
0.000 |
Average: |
61.9 |
2.1 |
0.159 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
[MN]A:300 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
10537 |
61.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.224 |
56 |
|
[MN]C:2300 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
13 |
10 |
10336 |
61.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.224 |
57 |
|
[MN]D:3300 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
10063 |
60.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.224 |
58 |
|
[MN]B:1300 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
10260 |
59.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
60.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.224 |
41 |
59 |
|
[FUC]A:602 |
6 |
1 |
282 |
f |
[NAG]A:603 |
x,y,z |
1_555 |
7 |
1 |
361 |
60.9 |
1.5 |
0.111 |
1 |
0 |
0 |
0.000 |
42 |
60 |
|
C |
7 |
2 |
10336 |
◊ |
C |
-x+1,-y,z |
2_655 |
7 |
2 |
10336 |
59.4 |
0.4 |
0.740 |
1 |
0 |
0 |
0.000 |
43 |
61 |
|
[NAG]D:501 |
7 |
1 |
360 |
◊ |
D |
-x+1,-y,z |
2_655 |
8 |
3 |
10063 |
56.1 |
0.9 |
0.287 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
[FUC]D:502 |
7 |
1 |
281 |
◊ |
D |
-x+1,-y,z |
2_655 |
7 |
2 |
10063 |
55.9 |
0.3 |
0.193 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
C |
6 |
1 |
10336 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
3 |
10537 |
54.7 |
-0.4 |
0.446 |
0 |
0 |
0 |
0.000 |
46 |
64 |
|
[FUC]A:602 |
4 |
1 |
282 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
7 |
2 |
10063 |
54.2 |
1.8 |
0.602 |
0 |
0 |
0 |
0.000 |
47 |
65 |
|
[GLC]C:402 |
4 |
1 |
303 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
10336 |
51.8 |
-0.1 |
0.228 |
1 |
0 |
0 |
0.017 |
48 |
66 |
|
[GLC]A:402 |
6 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10537 |
51.0 |
0.5 |
0.305 |
1 |
0 |
0 |
0.000 |
49 |
67 |
|
D |
6 |
3 |
10063 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
10260 |
48.2 |
0.3 |
0.639 |
1 |
1 |
0 |
0.000 |
50 |
68 |
|
D |
4 |
2 |
10063 |
◊ |
[NAG]C:603 |
x,y,z-1 |
1_554 |
6 |
1 |
360 |
47.0 |
0.6 |
0.231 |
1 |
0 |
0 |
0.000 |
51 |
69 |
|
D |
7 |
2 |
10063 |
◊ |
[FUC]A:502 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
281 |
46.7 |
0.3 |
0.293 |
0 |
0 |
0 |
0.000 |
52 |
70 |
|
[GLC]B:402 |
6 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10260 |
44.7 |
0.1 |
0.224 |
0 |
0 |
0 |
0.000 |
53 |
71 |
|
D |
7 |
3 |
10063 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
10537 |
44.3 |
0.8 |
0.747 |
1 |
0 |
0 |
0.000 |
54 |
72 |
|
D |
6 |
2 |
10063 |
◊ |
[NAG]B:601 |
x,y,z-1 |
1_554 |
5 |
1 |
367 |
44.1 |
1.0 |
0.346 |
0 |
0 |
0 |
0.000 |
55 |
73 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
10537 |
41.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.373 |
74 |
|
[CA]C:2303 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
10336 |
41.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.373 |
75 |
|
[CA]D:3303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
10063 |
39.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.373 |
76 |
|
[CA]B:1303 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
10260 |
39.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.373 |
Average: |
40.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.373 |
56 |
77 |
|
[NAG]A:601 |
3 |
1 |
363 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
7 |
2 |
10063 |
39.4 |
1.1 |
0.574 |
0 |
0 |
0 |
0.000 |
57 |
78 |
|
[GLC]A:402 |
4 |
1 |
303 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
10260 |
36.4 |
0.9 |
0.490 |
1 |
0 |
0 |
0.000 |
58 |
79 |
|
[FUC]D:602 |
5 |
1 |
281 |
◊ |
[GLC]B:402 |
x,y,z-1 |
1_554 |
5 |
1 |
302 |
36.1 |
1.2 |
0.170 |
0 |
0 |
0 |
0.000 |
59 |
80 |
|
C |
4 |
3 |
10336 |
◊ |
A |
-x+1,-y,z |
2_655 |
5 |
2 |
10537 |
33.9 |
0.4 |
0.641 |
0 |
0 |
0 |
0.000 |
60 |
81 |
|
[NAG]D:603 |
1 |
1 |
356 |
◊ |
[GLC]B:402 |
x,y,z-1 |
1_554 |
5 |
1 |
302 |
33.3 |
1.8 |
0.357 |
0 |
0 |
0 |
0.000 |
61 |
82 |
|
[NAG]C:503 |
3 |
1 |
363 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
5 |
2 |
10260 |
32.5 |
0.8 |
0.434 |
0 |
0 |
0 |
0.000 |
62 |
83 |
|
A |
3 |
1 |
10537 |
◊ |
[NAG]B:501 |
x,y,z-1 |
1_554 |
4 |
1 |
356 |
32.4 |
0.4 |
0.198 |
0 |
0 |
0 |
0.000 |
63 |
84 |
|
[NAG]A:503 |
2 |
1 |
362 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
6 |
3 |
10063 |
32.2 |
0.8 |
0.500 |
0 |
0 |
0 |
0.000 |
64 |
85 |
|
[FUC]C:502 |
3 |
1 |
280 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
5 |
3 |
10260 |
28.6 |
-0.2 |
0.184 |
0 |
0 |
0 |
0.000 |
65 |
86 |
|
C |
3 |
1 |
10336 |
◊ |
B |
-x+1,-y,z |
2_655 |
3 |
2 |
10260 |
23.6 |
0.5 |
0.807 |
0 |
0 |
0 |
0.000 |
66 |
87 |
|
A |
3 |
2 |
10537 |
◊ |
[NDG]B:603 |
-x+3/2,y-1/2,-z+1 |
3_646 |
5 |
1 |
361 |
23.4 |
0.6 |
0.226 |
0 |
0 |
0 |
0.000 |
67 |
88 |
|
A |
3 |
2 |
10537 |
◊ |
[FUC]B:502 |
x,y,z-1 |
1_554 |
1 |
1 |
281 |
22.9 |
0.6 |
0.554 |
0 |
0 |
0 |
0.000 |
68 |
89 |
|
A |
2 |
1 |
10537 |
◊ |
[NAG]B:601 |
-x+3/2,y-1/2,-z+1 |
3_646 |
2 |
1 |
367 |
19.9 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
69 |
90 |
|
A |
5 |
3 |
10537 |
◊ |
[NAG]B:503 |
x,y,z-1 |
1_554 |
3 |
1 |
357 |
19.4 |
0.3 |
0.352 |
0 |
0 |
0 |
0.000 |
70 |
91 |
|
[FUC]A:502 |
2 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
10537 |
19.0 |
0.3 |
0.364 |
0 |
0 |
0 |
0.000 |
92 |
|
[FUC]C:502 |
2 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
10336 |
10.8 |
0.3 |
0.427 |
0 |
0 |
0 |
0.000 |
Average: |
14.9 |
0.3 |
0.395 |
0 |
0 |
0 |
0.000 |
71 |
93 |
|
D |
1 |
1 |
10063 |
◊ |
[NAG]A:503 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
362 |
18.9 |
0.1 |
0.151 |
0 |
0 |
0 |
0.000 |
72 |
94 |
|
[NAG]A:503 |
2 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
10537 |
17.1 |
0.0 |
0.270 |
0 |
0 |
0 |
0.000 |
73 |
95 |
|
[NAG]D:601 |
5 |
1 |
357 |
◊ |
[GLC]B:402 |
x,y,z-1 |
1_554 |
2 |
1 |
302 |
14.1 |
0.4 |
0.155 |
0 |
0 |
0 |
0.000 |
74 |
96 |
|
D |
2 |
1 |
10063 |
◊ |
[GLC]B:402 |
x,y,z-1 |
1_554 |
1 |
1 |
302 |
13.9 |
0.2 |
0.346 |
0 |
0 |
0 |
0.000 |
75 |
97 |
|
D |
1 |
1 |
10063 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10260 |
12.9 |
1.0 |
0.967 |
0 |
0 |
0 |
0.000 |
76 |
98 |
|
[FUC]B:502 |
2 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
10260 |
12.6 |
0.4 |
0.382 |
0 |
0 |
0 |
0.000 |
77 |
99 |
|
[MN]D:3300 |
1 |
1 |
123 |
f |
[CA]D:3303 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
100 |
|
[FUC]D:602 |
1 |
1 |
281 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
10260 |
9.4 |
-0.4 |
0.266 |
0 |
0 |
0 |
0.000 |
79 |
101 |
|
[MN]C:2300 |
1 |
1 |
123 |
f |
[CA]C:2303 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.060 |
80 |
102 |
|
[NAG]A:603 |
1 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
10537 |
9.0 |
0.5 |
0.695 |
0 |
0 |
0 |
0.000 |
81 |
103 |
|
[GLC]C:402 |
1 |
1 |
303 |
f |
[GLA]C:400 |
x,y,z |
1_555 |
1 |
1 |
292 |
9.0 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
82 |
104 |
|
D |
1 |
1 |
10063 |
◊ |
A |
-x+1,-y,z |
2_655 |
1 |
1 |
10537 |
9.0 |
0.4 |
0.879 |
0 |
0 |
0 |
0.000 |
83 |
105 |
|
[MN]B:1300 |
1 |
1 |
123 |
f |
[CA]B:1303 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
106 |
|
[GLC]A:402 |
1 |
1 |
303 |
f |
[GLA]A:400 |
x,y,z |
1_555 |
1 |
1 |
294 |
8.5 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
85 |
107 |
|
[MN]A:300 |
1 |
1 |
123 |
f |
[CA]A:303 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
108 |
|
[GLC]B:402 |
1 |
1 |
302 |
f |
[GLA]B:400 |
x,y,z |
1_555 |
1 |
1 |
295 |
8.2 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
87 |
109 |
|
[NAG]D:503 |
1 |
1 |
361 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
10063 |
7.9 |
0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
110 |
|
[NAG]B:503 |
1 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
10260 |
2.4 |
-0.0 |
0.236 |
0 |
0 |
0 |
0.000 |
Average: |
5.2 |
0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
88 |
111 |
|
[FUC]A:602 |
1 |
1 |
282 |
◊ |
B |
-x+3/2,y-1/2,-z |
3_645 |
3 |
2 |
10260 |
7.7 |
0.2 |
0.368 |
0 |
0 |
0 |
0.000 |
89 |
112 |
|
[FUC]A:602 |
4 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10537 |
7.6 |
0.3 |
0.302 |
0 |
0 |
0 |
0.000 |
90 |
113 |
|
[FUC]D:502 |
1 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
10063 |
6.5 |
0.3 |
0.403 |
0 |
0 |
0 |
0.000 |
91 |
114 |
|
[FUC]B:602 |
1 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
10260 |
6.5 |
0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
92 |
115 |
|
[FUC]D:602 |
1 |
1 |
281 |
◊ |
[GAL]B:401 |
x,y,z-1 |
1_554 |
1 |
1 |
296 |
4.7 |
0.3 |
0.191 |
0 |
0 |
0 |
0.000 |
93 |
116 |
|
[FUC]D:602 |
1 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
10063 |
4.3 |
0.2 |
0.396 |
0 |
0 |
0 |
0.000 |
94 |
117 |
|
C |
2 |
1 |
10336 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10537 |
3.9 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
95 |
118 |
|
[GAL]A:401 |
1 |
1 |
292 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
10260 |
2.9 |
0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
96 |
119 |
|
[NAG]D:603 |
1 |
1 |
356 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
10063 |
2.2 |
0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
120 |
|
[NAG]C:603 |
1 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
10336 |
1.5 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
0.1 |
0.338 |
0 |
0 |
0 |
0.000 |
97 |
121 |
|
[NAG]D:603 |
1 |
1 |
356 |
◊ |
[GAL]B:401 |
x,y,z-1 |
1_554 |
1 |
1 |
296 |
0.7 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|