## |
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 |
71 |
22 |
10439 |
◊ |
A |
x,y,z |
1_555 |
78 |
24 |
10461 |
812.1 |
-6.4 |
0.287 |
10 |
2 |
0 |
0.853 |
2 |
|
D |
77 |
23 |
10220 |
◊ |
C |
x,y,z |
1_555 |
75 |
24 |
10345 |
799.3 |
-5.4 |
0.396 |
9 |
2 |
0 |
0.853 |
Average: |
805.7 |
-5.9 |
0.342 |
10 |
2 |
0 |
0.853 |
2 |
3 |
|
C |
43 |
14 |
10345 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
48 |
14 |
10439 |
436.5 |
0.2 |
0.717 |
8 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
38 |
9 |
10461 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
42 |
12 |
10439 |
314.1 |
1.8 |
0.827 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
30 |
10 |
10345 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
10439 |
278.6 |
0.3 |
0.598 |
4 |
0 |
0 |
0.000 |
6 |
|
D |
25 |
11 |
10220 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
10461 |
256.3 |
0.0 |
0.635 |
2 |
0 |
0 |
0.000 |
Average: |
267.5 |
0.1 |
0.616 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
[A2G]A:400 |
14 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
33 |
17 |
10461 |
222.7 |
4.8 |
0.323 |
4 |
0 |
0 |
0.000 |
8 |
|
[A2G]C:400 |
14 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
35 |
17 |
10345 |
219.9 |
4.9 |
0.349 |
4 |
0 |
0 |
0.000 |
9 |
|
[A2G]B:400 |
14 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
35 |
17 |
10439 |
219.5 |
4.3 |
0.316 |
5 |
0 |
0 |
0.000 |
Average: |
220.7 |
4.7 |
0.330 |
4 |
0 |
0 |
0.000 |
6 |
10 |
|
[NAG]A:501 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
10461 |
130.5 |
3.0 |
0.324 |
0 |
0 |
0 |
0.000 |
11 |
|
[NAG]C:501 |
9 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
19 |
7 |
10345 |
127.3 |
3.2 |
0.503 |
0 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:501 |
11 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
10439 |
122.4 |
2.4 |
0.336 |
0 |
0 |
0 |
0.000 |
Average: |
126.7 |
2.9 |
0.388 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
A |
14 |
4 |
10461 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
17 |
9 |
10220 |
125.3 |
0.8 |
0.767 |
3 |
4 |
0 |
0.000 |
8 |
14 |
|
[NAG]D:501 |
10 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
16 |
7 |
10220 |
124.4 |
2.9 |
0.417 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[NAG]B:601 |
10 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
10439 |
115.2 |
3.6 |
0.458 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[NAG]D:601 |
9 |
1 |
358 |
cf |
D |
x,y,z |
1_555 |
14 |
4 |
10220 |
112.0 |
3.6 |
0.436 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[NAG]C:601 |
9 |
1 |
367 |
cf |
C |
x,y,z |
1_555 |
12 |
4 |
10345 |
111.9 |
3.1 |
0.444 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[GAL]C:401 |
9 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10345 |
104.8 |
0.4 |
0.151 |
1 |
0 |
0 |
0.002 |
19 |
|
[GAL]B:401 |
9 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10439 |
103.8 |
0.4 |
0.152 |
1 |
0 |
0 |
0.002 |
20 |
|
[GAL]A:401 |
9 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10461 |
101.8 |
0.5 |
0.128 |
1 |
0 |
0 |
0.002 |
Average: |
103.5 |
0.4 |
0.144 |
1 |
0 |
0 |
0.002 |
13 |
21 |
|
A |
10 |
5 |
10461 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
3 |
10439 |
95.0 |
-0.7 |
0.464 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
D |
12 |
5 |
10220 |
◊ |
D |
-x+1,-y,z |
2_655 |
12 |
5 |
10220 |
94.7 |
0.6 |
0.764 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[NAG]A:601 |
10 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
10461 |
92.0 |
2.6 |
0.306 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[BMA]C:504 |
8 |
1 |
294 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
12 |
6 |
10439 |
91.7 |
1.3 |
0.259 |
2 |
0 |
0 |
0.000 |
17 |
25 |
|
D |
9 |
3 |
10220 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
4 |
10439 |
80.2 |
-1.4 |
0.289 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[FUC]A:602 |
7 |
1 |
281 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
8 |
1 |
354 |
79.7 |
3.6 |
0.188 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[FUC]D:602 |
7 |
1 |
279 |
f |
[NAG]D:603 |
x,y,z |
1_555 |
9 |
1 |
359 |
77.6 |
3.2 |
0.174 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
C |
9 |
4 |
10345 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
8 |
4 |
10345 |
77.3 |
-0.4 |
0.524 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
D |
8 |
3 |
10220 |
◊ |
[FUC]B:602 |
x,y,z-1 |
1_554 |
7 |
1 |
281 |
77.3 |
-0.3 |
0.144 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[FUC]B:602 |
8 |
1 |
281 |
f |
[NAG]B:603 |
x,y,z |
1_555 |
8 |
1 |
346 |
74.3 |
4.3 |
0.246 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[FUC]B:502 |
7 |
1 |
279 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
10 |
1 |
356 |
72.9 |
2.6 |
0.127 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[NAG]D:503 |
9 |
1 |
362 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
7 |
1 |
361 |
72.3 |
2.0 |
0.102 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]D:603 |
7 |
1 |
359 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
7 |
1 |
358 |
70.9 |
1.8 |
0.113 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]C:503 |
8 |
1 |
362 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
6 |
1 |
360 |
68.2 |
1.5 |
0.091 |
0 |
0 |
0 |
0.000 |
Average: |
70.5 |
1.7 |
0.102 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[NAG]C:603 |
7 |
1 |
361 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
7 |
1 |
367 |
71.7 |
1.6 |
0.126 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
D |
7 |
2 |
10220 |
◊ |
[FUC]A:502 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
280 |
71.3 |
1.5 |
0.361 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[FUC]D:502 |
7 |
1 |
282 |
cf |
[NAG]D:501 |
x,y,z |
1_555 |
7 |
1 |
361 |
70.5 |
2.5 |
0.164 |
0 |
0 |
0 |
0.000 |
38 |
|
[FUC]B:602 |
7 |
1 |
281 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
7 |
1 |
365 |
69.4 |
2.5 |
0.166 |
0 |
0 |
0 |
0.000 |
Average: |
69.9 |
2.5 |
0.165 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[FUC]B:502 |
7 |
1 |
279 |
f |
[NAG]B:503 |
x,y,z |
1_555 |
7 |
1 |
364 |
70.4 |
2.7 |
0.186 |
1 |
0 |
0 |
0.000 |
29 |
40 |
|
[GAL]B:401 |
6 |
1 |
289 |
cf |
[A2G]B:400 |
x,y,z |
1_555 |
9 |
1 |
354 |
70.3 |
2.2 |
0.060 |
0 |
0 |
0 |
0.000 |
41 |
|
[GAL]A:401 |
6 |
1 |
292 |
cf |
[A2G]A:400 |
x,y,z |
1_555 |
8 |
1 |
359 |
66.4 |
2.1 |
0.065 |
1 |
0 |
0 |
0.000 |
42 |
|
[GAL]C:401 |
6 |
1 |
291 |
cf |
[A2G]C:400 |
x,y,z |
1_555 |
6 |
1 |
355 |
66.0 |
1.8 |
0.095 |
1 |
0 |
0 |
0.000 |
Average: |
67.6 |
2.1 |
0.073 |
1 |
0 |
0 |
0.000 |
30 |
43 |
|
[FUC]A:502 |
7 |
1 |
280 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
361 |
70.2 |
2.4 |
0.141 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
[NAG]B:503 |
8 |
1 |
364 |
cf |
[NAG]B:501 |
x,y,z |
1_555 |
7 |
1 |
356 |
68.9 |
1.5 |
0.091 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAG]A:503 |
8 |
1 |
365 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
7 |
1 |
361 |
67.3 |
1.4 |
0.095 |
0 |
0 |
0 |
0.000 |
Average: |
68.1 |
1.4 |
0.093 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[FUC]D:602 |
7 |
1 |
279 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
8 |
1 |
358 |
67.9 |
2.2 |
0.101 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[FUC]C:502 |
7 |
1 |
280 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
7 |
1 |
360 |
67.3 |
2.3 |
0.140 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[BMA]C:504 |
7 |
1 |
294 |
cf |
[NAG]C:503 |
x,y,z |
1_555 |
7 |
1 |
362 |
67.1 |
1.6 |
0.094 |
1 |
0 |
0 |
0.000 |
35 |
49 |
|
[GLC]A:402 |
4 |
1 |
303 |
cf |
[GAL]A:401 |
x,y,z |
1_555 |
7 |
1 |
292 |
66.7 |
1.8 |
0.161 |
0 |
0 |
0 |
0.000 |
50 |
|
[GLC]C:402 |
4 |
1 |
306 |
cf |
[GAL]C:401 |
x,y,z |
1_555 |
7 |
1 |
291 |
62.8 |
1.6 |
0.163 |
0 |
0 |
0 |
0.000 |
Average: |
64.7 |
1.7 |
0.162 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
[FUC]A:602 |
6 |
1 |
281 |
f |
[NAG]A:603 |
x,y,z |
1_555 |
8 |
1 |
353 |
65.2 |
1.6 |
0.104 |
2 |
0 |
0 |
0.000 |
37 |
52 |
|
[NAG]B:603 |
6 |
1 |
346 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
6 |
1 |
365 |
64.9 |
1.6 |
0.147 |
1 |
0 |
0 |
0.000 |
38 |
53 |
|
D |
10 |
3 |
10220 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
3 |
10345 |
63.6 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
C |
6 |
1 |
10345 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
3 |
10461 |
62.9 |
-0.2 |
0.466 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
[NAG]C:503 |
7 |
1 |
362 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
2 |
10439 |
62.5 |
1.3 |
0.337 |
1 |
0 |
0 |
0.000 |
41 |
56 |
|
[GLC]B:402 |
5 |
1 |
300 |
cf |
[GAL]B:401 |
x,y,z |
1_555 |
6 |
1 |
289 |
62.1 |
1.7 |
0.141 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
[FUC]D:502 |
7 |
1 |
282 |
f |
[NAG]D:503 |
x,y,z |
1_555 |
9 |
1 |
362 |
61.5 |
2.9 |
0.146 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
[MN]A:300 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
9 |
10461 |
60.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
1.000 |
59 |
|
[MN]D:3300 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
12 |
10 |
10220 |
60.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
1.000 |
60 |
|
[MN]C:2300 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
10345 |
58.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
1.000 |
61 |
|
[MN]B:1300 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
10439 |
58.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
59.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
1.000 |
44 |
62 |
|
[NAG]A:603 |
7 |
1 |
353 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
7 |
1 |
354 |
58.9 |
0.7 |
0.051 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
[FUC]C:502 |
7 |
1 |
280 |
f |
[NAG]C:503 |
x,y,z |
1_555 |
7 |
1 |
362 |
58.4 |
2.4 |
0.149 |
0 |
0 |
0 |
0.000 |
46 |
64 |
|
[GLC]A:402 |
6 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10461 |
58.3 |
0.6 |
0.270 |
2 |
0 |
0 |
0.019 |
65 |
|
[GLC]B:402 |
6 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10439 |
55.1 |
0.9 |
0.238 |
2 |
0 |
0 |
0.019 |
Average: |
56.7 |
0.8 |
0.254 |
2 |
0 |
0 |
0.019 |
47 |
66 |
|
[GLC]C:402 |
6 |
1 |
306 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
10345 |
58.3 |
0.7 |
0.288 |
1 |
0 |
0 |
0.000 |
48 |
67 |
|
[FUC]A:502 |
6 |
1 |
280 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
7 |
1 |
365 |
57.3 |
2.5 |
0.196 |
0 |
0 |
0 |
0.000 |
49 |
68 |
|
[FUC]A:602 |
6 |
1 |
281 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
9 |
3 |
10220 |
53.7 |
1.4 |
0.415 |
0 |
0 |
0 |
0.000 |
50 |
69 |
|
[FUC]D:502 |
6 |
1 |
282 |
◊ |
D |
-x+1,-y,z |
2_655 |
6 |
2 |
10220 |
52.4 |
0.6 |
0.245 |
0 |
0 |
0 |
0.000 |
51 |
70 |
|
[NAG]D:501 |
4 |
1 |
361 |
◊ |
D |
-x+1,-y,z |
2_655 |
6 |
3 |
10220 |
47.7 |
1.6 |
0.532 |
0 |
0 |
0 |
0.000 |
52 |
71 |
|
D |
7 |
2 |
10220 |
◊ |
[NAG]B:601 |
x,y,z-1 |
1_554 |
5 |
1 |
365 |
45.6 |
1.1 |
0.407 |
0 |
0 |
0 |
0.000 |
53 |
72 |
|
D |
2 |
1 |
10220 |
◊ |
[NAG]C:603 |
x,y,z-1 |
1_554 |
6 |
1 |
361 |
41.5 |
0.5 |
0.196 |
1 |
0 |
0 |
0.000 |
54 |
73 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10461 |
41.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
1.000 |
74 |
|
[CA]D:3303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
10220 |
39.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
1.000 |
75 |
|
[CA]B:1303 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
10439 |
39.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
1.000 |
76 |
|
[CA]C:2303 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
10345 |
39.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
39.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
1.000 |
55 |
77 |
|
[NAG]A:601 |
3 |
1 |
354 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
7 |
2 |
10220 |
38.3 |
1.0 |
0.524 |
1 |
0 |
0 |
0.000 |
56 |
78 |
|
A |
5 |
4 |
10461 |
◊ |
[FUC]B:502 |
x,y,z-1 |
1_554 |
3 |
1 |
279 |
36.7 |
1.1 |
0.481 |
0 |
0 |
0 |
0.000 |
57 |
79 |
|
[NAG]A:503 |
3 |
1 |
365 |
◊ |
D |
-x+3/2,y-1/2,-z |
3_645 |
5 |
3 |
10220 |
32.6 |
0.8 |
0.435 |
0 |
0 |
0 |
0.000 |
58 |
80 |
|
D |
3 |
2 |
10220 |
◊ |
[NAG]A:503 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
365 |
32.6 |
0.9 |
0.554 |
0 |
0 |
0 |
0.000 |
59 |
81 |
|
[NAG]C:503 |
3 |
1 |
362 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
5 |
2 |
10439 |
31.6 |
0.7 |
0.424 |
1 |
0 |
0 |
0.000 |
60 |
82 |
|
[FUC]D:602 |
1 |
1 |
279 |
◊ |
[GLC]B:402 |
x,y,z-1 |
1_554 |
5 |
1 |
300 |
30.0 |
1.7 |
0.352 |
0 |
0 |
0 |
0.000 |
61 |
83 |
|
[FUC]C:502 |
2 |
1 |
280 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
6 |
3 |
10439 |
29.0 |
-0.3 |
0.340 |
0 |
0 |
0 |
0.000 |
62 |
84 |
|
A |
5 |
3 |
10461 |
◊ |
[NAG]B:503 |
x,y,z-1 |
1_554 |
3 |
1 |
364 |
28.6 |
0.9 |
0.504 |
0 |
0 |
0 |
0.000 |
63 |
85 |
|
C |
1 |
1 |
10345 |
◊ |
A |
-x+1,-y,z |
2_655 |
3 |
1 |
10461 |
20.2 |
0.2 |
0.633 |
0 |
0 |
0 |
0.000 |
64 |
86 |
|
D |
2 |
2 |
10220 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10439 |
18.6 |
1.3 |
0.959 |
0 |
0 |
0 |
0.000 |
65 |
87 |
|
A |
2 |
1 |
10461 |
◊ |
[NAG]B:501 |
x,y,z-1 |
1_554 |
3 |
1 |
356 |
18.1 |
0.4 |
0.265 |
0 |
0 |
0 |
0.000 |
66 |
88 |
|
A |
2 |
1 |
10461 |
◊ |
[NAG]B:601 |
-x+3/2,y-1/2,-z+1 |
3_646 |
2 |
1 |
365 |
16.7 |
0.1 |
0.268 |
0 |
0 |
0 |
0.000 |
67 |
89 |
|
[NAG]D:603 |
2 |
1 |
359 |
◊ |
[GLC]B:402 |
x,y,z-1 |
1_554 |
4 |
1 |
300 |
14.7 |
0.6 |
0.178 |
0 |
0 |
0 |
0.000 |
68 |
90 |
|
C |
2 |
2 |
10345 |
◊ |
C |
-x+1,-y,z |
2_655 |
2 |
2 |
10345 |
13.3 |
-0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
69 |
91 |
|
[CA]B:1303 |
1 |
1 |
85 |
f |
[MN]B:1300 |
x,y,z |
1_555 |
1 |
1 |
123 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.177 |
70 |
92 |
|
[CA]C:2303 |
1 |
1 |
85 |
f |
[MN]C:2300 |
x,y,z |
1_555 |
1 |
1 |
123 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
93 |
|
[CA]D:3303 |
1 |
1 |
85 |
f |
[MN]D:3300 |
x,y,z |
1_555 |
1 |
1 |
123 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
94 |
|
[FUC]C:502 |
2 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
10345 |
10.8 |
0.3 |
0.427 |
0 |
0 |
0 |
0.000 |
73 |
95 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
[MN]A:300 |
x,y,z |
1_555 |
1 |
1 |
123 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.162 |
74 |
96 |
|
[FUC]D:602 |
1 |
1 |
279 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
10439 |
10.1 |
-0.4 |
0.199 |
0 |
0 |
0 |
0.000 |
75 |
97 |
|
[FUC]A:502 |
2 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
10461 |
9.4 |
0.2 |
0.418 |
0 |
0 |
0 |
0.000 |
76 |
98 |
|
[BMA]C:504 |
1 |
1 |
294 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
10439 |
8.2 |
0.3 |
0.329 |
0 |
0 |
0 |
0.000 |
77 |
99 |
|
[GLC]B:402 |
1 |
1 |
300 |
f |
[A2G]B:400 |
x,y,z |
1_555 |
1 |
1 |
354 |
8.1 |
0.1 |
0.309 |
0 |
0 |
0 |
0.000 |
100 |
|
[GLC]A:402 |
1 |
1 |
303 |
f |
[A2G]A:400 |
x,y,z |
1_555 |
1 |
1 |
359 |
8.0 |
0.1 |
0.218 |
0 |
0 |
0 |
0.000 |
Average: |
8.1 |
0.1 |
0.263 |
0 |
0 |
0 |
0.000 |
78 |
101 |
|
[NAG]A:503 |
1 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10461 |
6.9 |
-0.0 |
0.187 |
0 |
0 |
0 |
0.003 |
102 |
|
[NAG]B:503 |
1 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
10439 |
0.5 |
-0.0 |
0.281 |
0 |
0 |
0 |
0.003 |
Average: |
3.7 |
-0.0 |
0.234 |
0 |
0 |
0 |
0.003 |
79 |
103 |
|
[FUC]A:602 |
3 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10461 |
6.4 |
0.3 |
0.497 |
0 |
0 |
0 |
0.000 |
80 |
104 |
|
[FUC]B:602 |
1 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
10439 |
6.0 |
0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
81 |
105 |
|
[FUC]D:502 |
1 |
1 |
282 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
10220 |
5.5 |
0.2 |
0.400 |
0 |
0 |
0 |
0.000 |
82 |
106 |
|
D |
2 |
1 |
10220 |
◊ |
[NAG]A:501 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
361 |
5.5 |
0.2 |
0.389 |
0 |
0 |
0 |
0.000 |
83 |
107 |
|
C |
3 |
1 |
10345 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
10439 |
5.2 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
84 |
108 |
|
[FUC]B:502 |
1 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
10439 |
5.0 |
0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
85 |
109 |
|
[FUC]D:602 |
1 |
1 |
279 |
◊ |
[GAL]B:401 |
x,y,z-1 |
1_554 |
1 |
1 |
289 |
4.9 |
0.3 |
0.191 |
0 |
0 |
0 |
0.000 |
86 |
110 |
|
[GLC]C:402 |
1 |
1 |
306 |
f |
[A2G]C:400 |
x,y,z |
1_555 |
1 |
1 |
355 |
4.9 |
0.0 |
0.218 |
0 |
0 |
0 |
0.000 |
87 |
111 |
|
[NAG]D:503 |
1 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
10220 |
4.4 |
0.1 |
0.292 |
0 |
0 |
0 |
0.000 |
88 |
112 |
|
[FUC]D:602 |
1 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
10220 |
4.3 |
0.2 |
0.394 |
0 |
0 |
0 |
0.000 |
89 |
113 |
|
[NAG]D:603 |
1 |
1 |
359 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
10220 |
3.3 |
0.2 |
0.488 |
0 |
0 |
0 |
0.000 |
90 |
114 |
|
D |
3 |
3 |
10220 |
◊ |
[GLC]B:402 |
x,y,z-1 |
1_554 |
3 |
1 |
300 |
3.0 |
0.0 |
0.311 |
0 |
0 |
0 |
0.000 |
91 |
115 |
|
C |
3 |
2 |
10345 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10461 |
2.6 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
92 |
116 |
|
[FUC]A:602 |
1 |
1 |
281 |
◊ |
B |
-x+3/2,y-1/2,-z |
3_645 |
1 |
1 |
10439 |
2.0 |
0.0 |
0.382 |
0 |
0 |
0 |
0.000 |
93 |
117 |
|
D |
1 |
1 |
10220 |
◊ |
[NAG]B:603 |
x,y,z-1 |
1_554 |
1 |
1 |
346 |
1.6 |
0.0 |
0.254 |
0 |
0 |
0 |
0.000 |
94 |
118 |
|
[NAG]D:603 |
1 |
1 |
359 |
◊ |
[GAL]B:401 |
x,y,z-1 |
1_554 |
1 |
1 |
289 |
0.6 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
95 |
119 |
|
[NAG]C:603 |
1 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
10345 |
0.4 |
0.0 |
0.320 |
0 |
0 |
0 |
0.000 |
|