## |
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 |
264 |
78 |
23231 |
◊ |
A |
y,x,-z-2 |
7_553 |
262 |
76 |
23239 |
2699.8 |
-53.3 |
0.000 |
2 |
0 |
0 |
0.131 |
2 |
2 |
|
B |
92 |
29 |
23231 |
x |
B |
-y+5/2,x+1/2,z |
3_755 |
85 |
28 |
23231 |
788.5 |
-7.3 |
0.488 |
2 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
78 |
27 |
23231 |
◊ |
A |
x,y,z |
1_555 |
81 |
27 |
23239 |
714.1 |
-10.7 |
0.213 |
1 |
0 |
0 |
0.035 |
4 |
4 |
|
A |
72 |
21 |
23239 |
◊ |
A |
y,x,-z-1 |
7_554 |
72 |
21 |
23239 |
610.5 |
-7.3 |
0.400 |
0 |
0 |
0 |
0.021 |
5 |
5 |
|
B |
18 |
7 |
23231 |
◊ |
A |
y,x,-z-1 |
7_554 |
25 |
7 |
23239 |
186.2 |
-2.3 |
0.339 |
0 |
0 |
0 |
0.007 |
6 |
6 |
|
[NAG]A:716 |
11 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
20 |
9 |
23239 |
157.6 |
4.4 |
0.586 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
[NAG]B:714 |
11 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
19 |
9 |
23231 |
157.5 |
4.5 |
0.604 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[FUC]A:708 |
10 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
23239 |
147.4 |
2.5 |
0.294 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[NAG]B:709 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
17 |
8 |
23231 |
136.3 |
4.0 |
0.452 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[NAG]B:719 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
23231 |
130.1 |
2.8 |
0.336 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
[NAG]A:720 |
11 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
23239 |
128.1 |
3.0 |
0.375 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[NAG]A:714 |
11 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
18 |
8 |
23239 |
126.1 |
3.9 |
0.509 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[FUC]A:710 |
8 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
23239 |
115.2 |
1.6 |
0.338 |
0 |
0 |
0 |
0.000 |
14 |
|
[FUC]B:705 |
7 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
23231 |
111.0 |
2.1 |
0.435 |
0 |
0 |
0 |
0.000 |
Average: |
113.1 |
1.8 |
0.386 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[SO4]A:729 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
23239 |
104.8 |
-16.8 |
0.682 |
2 |
0 |
0 |
0.102 |
15 |
16 |
|
[NAG]B:710 |
9 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
23231 |
102.2 |
3.4 |
0.519 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[SO4]B:721 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
23231 |
101.2 |
-12.5 |
0.905 |
0 |
0 |
0 |
0.039 |
17 |
18 |
|
[SO4]A:722 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
23239 |
97.6 |
-12.0 |
0.902 |
0 |
0 |
0 |
0.069 |
18 |
19 |
|
[NAG]A:704 |
8 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
23239 |
96.4 |
3.3 |
0.548 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[MAN]B:708 |
10 |
1 |
294 |
◊ |
B |
-y+5/2,x+1/2,z |
3_755 |
12 |
4 |
23231 |
96.2 |
0.1 |
0.125 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[SO4]A:726 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
23239 |
95.0 |
-14.9 |
0.694 |
2 |
0 |
0 |
0.091 |
21 |
22 |
|
[SO4]A:724 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
23239 |
94.9 |
-13.5 |
0.796 |
1 |
0 |
0 |
0.081 |
22 |
23 |
|
[NAG]A:715 |
7 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
23239 |
94.8 |
2.4 |
0.513 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[SO4]B:724 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
23231 |
90.6 |
-13.5 |
0.693 |
1 |
0 |
0 |
0.043 |
24 |
25 |
|
[NAG]B:704 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
23231 |
88.8 |
2.4 |
0.307 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[SO4]B:726 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23231 |
87.4 |
-10.8 |
0.966 |
1 |
0 |
0 |
0.035 |
26 |
27 |
|
[NAG]A:707 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
11 |
2 |
23239 |
85.8 |
2.6 |
0.393 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[SO4]A:728 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
23239 |
85.4 |
-11.0 |
0.951 |
4 |
0 |
0 |
0.074 |
28 |
29 |
|
[SO4]A:730 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
23239 |
85.0 |
-10.1 |
0.964 |
1 |
0 |
0 |
0.061 |
29 |
30 |
|
[SO4]B:722 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
23231 |
84.9 |
-10.9 |
0.930 |
0 |
0 |
0 |
0.034 |
30 |
31 |
|
[NAG]A:709 |
5 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
23239 |
84.7 |
1.4 |
0.450 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[SO4]B:725 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
23231 |
82.5 |
-10.7 |
0.946 |
3 |
0 |
0 |
0.037 |
32 |
33 |
|
[SO4]A:725 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
23239 |
81.4 |
-12.3 |
0.689 |
3 |
0 |
0 |
0.079 |
33 |
34 |
|
[SO4]B:723 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23231 |
79.9 |
-11.7 |
0.669 |
2 |
0 |
0 |
0.039 |
34 |
35 |
|
[FUC]B:716 |
6 |
1 |
276 |
◊ |
A |
y,x,-z-2 |
7_553 |
10 |
4 |
23239 |
78.6 |
0.8 |
0.347 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[NAG]A:709 |
8 |
1 |
360 |
cf |
[NAG]A:707 |
x,y,z |
1_555 |
7 |
1 |
361 |
78.2 |
2.5 |
0.160 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[FUC]A:718 |
7 |
1 |
283 |
◊ |
B |
y,x,-z-2 |
7_553 |
11 |
4 |
23231 |
77.3 |
1.1 |
0.316 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[MAN]B:707 |
6 |
1 |
285 |
◊ |
B |
-y+5/2,x+1/2,z |
3_755 |
11 |
3 |
23231 |
77.2 |
0.4 |
0.260 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[MAN]B:708 |
6 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
23231 |
75.9 |
1.8 |
0.480 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[SO4]B:727 |
5 |
1 |
185 |
f |
A |
y,x,-z-2 |
7_553 |
10 |
3 |
23239 |
75.8 |
-9.9 |
0.918 |
0 |
0 |
0 |
0.057 |
40 |
41 |
|
[NAG]A:721 |
10 |
1 |
359 |
cf |
[NAG]A:720 |
x,y,z |
1_555 |
6 |
1 |
354 |
73.5 |
2.1 |
0.082 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[SO4]A:731 |
4 |
1 |
185 |
f |
B |
y,x,-z-2 |
7_553 |
11 |
5 |
23231 |
73.4 |
-9.3 |
0.944 |
0 |
0 |
0 |
0.029 |
42 |
43 |
|
[NAG]A:717 |
8 |
1 |
357 |
cf |
[NAG]A:716 |
x,y,z |
1_555 |
7 |
1 |
360 |
73.0 |
1.3 |
0.095 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[NAG]B:715 |
8 |
1 |
358 |
cf |
[NAG]B:714 |
x,y,z |
1_555 |
6 |
1 |
365 |
72.4 |
1.4 |
0.102 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
[BMA]B:711 |
7 |
1 |
292 |
cf |
[NAG]B:715 |
x,y,z |
1_555 |
7 |
1 |
358 |
71.6 |
1.8 |
0.114 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[MAN]B:718 |
7 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
23231 |
71.3 |
0.4 |
0.251 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[NAG]B:720 |
9 |
1 |
363 |
cf |
[NAG]B:719 |
x,y,z |
1_555 |
7 |
1 |
359 |
70.2 |
1.6 |
0.098 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[MAN]A:712 |
7 |
1 |
291 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
23239 |
68.5 |
1.4 |
0.346 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[FUC]A:710 |
7 |
1 |
283 |
cf |
[NAG]A:714 |
x,y,z |
1_555 |
7 |
1 |
360 |
68.4 |
2.3 |
0.144 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[SO4]B:727 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
23231 |
66.5 |
-8.9 |
0.833 |
1 |
0 |
0 |
0.023 |
50 |
51 |
|
[NAG]B:710 |
10 |
1 |
357 |
cf |
[NAG]B:709 |
x,y,z |
1_555 |
6 |
1 |
360 |
65.9 |
1.2 |
0.073 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[FUC]A:708 |
5 |
1 |
280 |
cf |
[NAG]A:707 |
x,y,z |
1_555 |
7 |
1 |
361 |
65.6 |
2.3 |
0.192 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[SO4]A:728 |
5 |
1 |
185 |
◊ |
A |
y,x,-z-1 |
7_554 |
8 |
5 |
23239 |
65.3 |
-8.0 |
0.580 |
0 |
0 |
0 |
0.046 |
53 |
54 |
|
[NAG]A:715 |
9 |
1 |
358 |
cf |
[NAG]A:714 |
x,y,z |
1_555 |
6 |
1 |
360 |
65.1 |
1.3 |
0.077 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[MAN]B:708 |
7 |
1 |
294 |
cf |
[BMA]B:706 |
x,y,z |
1_555 |
5 |
1 |
288 |
64.1 |
2.6 |
0.221 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[FUC]A:705 |
7 |
1 |
281 |
cf |
[NAG]A:704 |
x,y,z |
1_555 |
6 |
1 |
353 |
64.0 |
2.2 |
0.146 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[FUC]B:705 |
7 |
1 |
284 |
cf |
[NAG]B:709 |
x,y,z |
1_555 |
8 |
1 |
360 |
63.3 |
2.3 |
0.114 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
[SO4]A:731 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
23239 |
62.7 |
-8.3 |
0.785 |
0 |
0 |
0 |
0.020 |
58 |
59 |
|
[NAG]A:706 |
10 |
1 |
350 |
cf |
[NAG]A:704 |
x,y,z |
1_555 |
7 |
1 |
353 |
62.4 |
1.7 |
0.075 |
0 |
0 |
0 |
0.000 |
59 |
60 |
|
[BMA]A:711 |
5 |
1 |
294 |
cf |
[NAG]A:715 |
x,y,z |
1_555 |
5 |
1 |
358 |
62.2 |
1.2 |
0.158 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
[BMA]B:717 |
6 |
1 |
293 |
cf |
[NAG]B:720 |
x,y,z |
1_555 |
5 |
1 |
363 |
61.9 |
1.7 |
0.173 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[FUC]A:718 |
7 |
1 |
283 |
cf |
[NAG]A:720 |
x,y,z |
1_555 |
7 |
1 |
354 |
60.7 |
1.8 |
0.112 |
0 |
0 |
0 |
0.000 |
62 |
63 |
|
[MAN]A:713 |
5 |
1 |
293 |
cf |
[BMA]A:711 |
x,y,z |
1_555 |
6 |
1 |
294 |
59.2 |
2.6 |
0.264 |
0 |
0 |
0 |
0.000 |
63 |
64 |
|
[BMA]B:706 |
6 |
1 |
288 |
cf |
[NAG]B:710 |
x,y,z |
1_555 |
5 |
1 |
357 |
58.0 |
1.2 |
0.124 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[MAN]B:713 |
5 |
1 |
290 |
cf |
[BMA]B:711 |
x,y,z |
1_555 |
5 |
1 |
292 |
57.9 |
2.5 |
0.253 |
0 |
0 |
0 |
0.000 |
65 |
66 |
|
[MAN]B:707 |
4 |
1 |
285 |
cf |
[BMA]B:706 |
x,y,z |
1_555 |
6 |
1 |
288 |
57.8 |
2.7 |
0.250 |
0 |
0 |
0 |
0.000 |
66 |
67 |
|
[BMA]A:719 |
5 |
1 |
290 |
cf |
[NAG]A:721 |
x,y,z |
1_555 |
5 |
1 |
359 |
57.6 |
1.5 |
0.147 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[MAN]B:718 |
6 |
1 |
288 |
cf |
[BMA]B:717 |
x,y,z |
1_555 |
6 |
1 |
293 |
56.8 |
2.6 |
0.240 |
0 |
0 |
0 |
0.000 |
68 |
69 |
|
[FUC]B:716 |
6 |
1 |
276 |
cf |
[NAG]B:719 |
x,y,z |
1_555 |
4 |
1 |
359 |
56.7 |
1.4 |
0.197 |
0 |
0 |
0 |
0.000 |
69 |
70 |
|
[SO4]A:727 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
23239 |
55.4 |
-6.8 |
0.844 |
1 |
0 |
0 |
0.042 |
70 |
71 |
|
[SO4]B:721 |
4 |
1 |
185 |
◊ |
A |
y,x,-z-2 |
7_553 |
5 |
2 |
23239 |
54.9 |
-7.7 |
0.491 |
0 |
0 |
0 |
0.019 |
71 |
72 |
|
[NAG]A:721 |
5 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
23239 |
54.7 |
0.8 |
0.306 |
0 |
0 |
0 |
0.000 |
72 |
73 |
|
[NAG]B:720 |
3 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
23231 |
54.2 |
0.9 |
0.377 |
0 |
0 |
0 |
0.000 |
73 |
74 |
|
[MAN]A:712 |
5 |
1 |
291 |
cf |
[BMA]A:711 |
x,y,z |
1_555 |
5 |
1 |
294 |
54.1 |
2.6 |
0.321 |
0 |
0 |
0 |
0.000 |
74 |
75 |
|
[SO4]A:722 |
5 |
1 |
183 |
◊ |
B |
y,x,-z-2 |
7_553 |
5 |
2 |
23231 |
53.1 |
-7.4 |
0.512 |
0 |
0 |
0 |
0.018 |
75 |
76 |
|
[FUC]A:705 |
5 |
1 |
281 |
f |
[NAG]A:706 |
x,y,z |
1_555 |
6 |
1 |
350 |
52.6 |
1.8 |
0.172 |
0 |
0 |
0 |
0.000 |
76 |
77 |
|
[FUC]A:710 |
7 |
1 |
283 |
f |
[NAG]A:715 |
x,y,z |
1_555 |
7 |
1 |
358 |
51.6 |
2.4 |
0.136 |
0 |
0 |
0 |
0.000 |
77 |
78 |
|
[MAN]B:712 |
6 |
1 |
294 |
cf |
[BMA]B:711 |
x,y,z |
1_555 |
2 |
1 |
292 |
51.3 |
2.2 |
0.382 |
0 |
0 |
0 |
0.000 |
78 |
79 |
|
[FUC]B:705 |
6 |
1 |
284 |
f |
[NAG]B:710 |
x,y,z |
1_555 |
8 |
1 |
357 |
49.6 |
2.6 |
0.127 |
0 |
0 |
0 |
0.000 |
79 |
80 |
|
[SO4]A:727 |
4 |
1 |
185 |
◊ |
B |
y,x,-z-2 |
7_553 |
5 |
2 |
23231 |
49.1 |
-5.6 |
0.901 |
0 |
0 |
0 |
0.013 |
80 |
81 |
|
[SO4]B:722 |
4 |
1 |
185 |
f |
[NAG]B:714 |
x,y,z |
1_555 |
7 |
1 |
365 |
48.6 |
-5.4 |
0.361 |
1 |
0 |
0 |
0.018 |
81 |
82 |
|
[MAN]B:718 |
4 |
1 |
288 |
f |
[NAG]B:720 |
x,y,z |
1_555 |
7 |
1 |
363 |
47.9 |
1.9 |
0.222 |
1 |
0 |
0 |
0.000 |
82 |
83 |
|
[SO4]A:724 |
4 |
1 |
185 |
◊ |
A |
y,x,-z-1 |
7_554 |
10 |
4 |
23239 |
45.9 |
-6.1 |
0.654 |
0 |
0 |
0 |
0.035 |
83 |
84 |
|
[FUC]A:708 |
4 |
1 |
280 |
f |
[NAG]A:709 |
x,y,z |
1_555 |
4 |
1 |
360 |
45.3 |
2.8 |
0.396 |
0 |
0 |
0 |
0.000 |
84 |
85 |
|
[SO4]A:723 |
4 |
1 |
183 |
◊ |
B |
y,x,-z-1 |
7_554 |
4 |
2 |
23231 |
42.0 |
-3.8 |
0.971 |
0 |
0 |
0 |
0.012 |
85 |
86 |
|
[ZN]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
23239 |
40.9 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.197 |
87 |
|
[ZN]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
23231 |
40.5 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
40.7 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.197 |
86 |
88 |
|
[FUC]A:718 |
4 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
23239 |
40.3 |
0.6 |
0.374 |
0 |
0 |
0 |
0.000 |
87 |
89 |
|
[ZN]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
23239 |
40.2 |
-32.2 |
0.000 |
0 |
0 |
0 |
0.198 |
90 |
|
[ZN]B:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
23231 |
39.9 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.198 |
Average: |
40.0 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.198 |
88 |
91 |
|
[FUC]A:718 |
3 |
1 |
283 |
f |
[NAG]A:721 |
x,y,z |
1_555 |
5 |
1 |
359 |
39.7 |
2.0 |
0.265 |
0 |
0 |
0 |
0.000 |
89 |
92 |
|
[BMA]B:706 |
5 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
23231 |
38.6 |
0.7 |
0.327 |
0 |
0 |
0 |
0.000 |
90 |
93 |
|
[NAG]B:720 |
2 |
1 |
363 |
◊ |
A |
y,x,-z-2 |
7_553 |
6 |
2 |
23239 |
38.2 |
1.0 |
0.566 |
0 |
0 |
0 |
0.000 |
91 |
94 |
|
[FUC]B:716 |
4 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
23231 |
38.1 |
0.4 |
0.282 |
0 |
0 |
0 |
0.000 |
92 |
95 |
|
[ZN]A:703 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
23239 |
37.7 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.131 |
96 |
|
[ZN]B:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
23231 |
37.6 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
37.6 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.131 |
93 |
97 |
|
[SO4]A:723 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
23239 |
35.3 |
-3.9 |
0.902 |
1 |
0 |
0 |
0.025 |
94 |
98 |
|
[SO4]A:723 |
4 |
1 |
183 |
f |
A |
y,x,-z-1 |
7_554 |
3 |
1 |
23239 |
35.1 |
-4.4 |
0.398 |
0 |
0 |
0 |
0.026 |
95 |
99 |
|
[FUC]A:705 |
2 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
23239 |
35.1 |
1.5 |
0.517 |
0 |
0 |
0 |
0.000 |
96 |
100 |
|
[BMA]A:711 |
3 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
23239 |
34.2 |
1.5 |
0.723 |
0 |
0 |
0 |
0.000 |
97 |
101 |
|
[MAN]B:713 |
4 |
1 |
290 |
f |
[NAG]B:715 |
x,y,z |
1_555 |
5 |
1 |
358 |
34.2 |
1.6 |
0.278 |
0 |
0 |
0 |
0.000 |
98 |
102 |
|
[NAG]A:721 |
2 |
1 |
359 |
◊ |
B |
y,x,-z-2 |
7_553 |
6 |
2 |
23231 |
34.0 |
0.9 |
0.572 |
0 |
0 |
0 |
0.000 |
99 |
103 |
|
[ZN]B:703 |
1 |
1 |
98 |
◊ |
A |
y,x,-z-2 |
7_553 |
7 |
4 |
23239 |
33.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.090 |
104 |
|
[ZN]A:703 |
1 |
1 |
98 |
◊ |
B |
y,x,-z-2 |
7_553 |
7 |
4 |
23231 |
33.0 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
33.1 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.090 |
100 |
105 |
|
[NAG]A:717 |
3 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
23239 |
25.2 |
0.3 |
0.164 |
0 |
0 |
0 |
0.000 |
101 |
106 |
|
[FUC]B:716 |
2 |
1 |
276 |
f |
[NAG]B:720 |
x,y,z |
1_555 |
5 |
1 |
363 |
21.7 |
1.4 |
0.282 |
0 |
0 |
0 |
0.000 |
102 |
107 |
|
[NAG]B:715 |
3 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23231 |
21.5 |
0.2 |
0.178 |
0 |
0 |
0 |
0.000 |
103 |
108 |
|
[BMA]B:706 |
3 |
1 |
288 |
◊ |
B |
-y+5/2,x+1/2,z |
3_755 |
4 |
2 |
23231 |
20.0 |
0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
104 |
109 |
|
[NAG]A:720 |
2 |
1 |
354 |
◊ |
B |
y,x,-z-2 |
7_553 |
6 |
3 |
23231 |
19.7 |
0.4 |
0.481 |
0 |
0 |
0 |
0.000 |
105 |
110 |
|
[SO4]B:722 |
1 |
1 |
185 |
f |
[NAG]B:715 |
x,y,z |
1_555 |
2 |
1 |
358 |
18.7 |
-2.1 |
0.443 |
0 |
0 |
0 |
0.006 |
106 |
111 |
|
[MAN]A:712 |
1 |
1 |
291 |
f |
[NAG]A:715 |
x,y,z |
1_555 |
4 |
1 |
358 |
16.5 |
0.6 |
0.248 |
0 |
0 |
0 |
0.000 |
107 |
112 |
|
[ZN]B:702 |
1 |
1 |
98 |
f |
[ZN]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.039 |
108 |
113 |
|
[ZN]A:702 |
1 |
1 |
98 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.070 |
109 |
114 |
|
[NAG]B:719 |
2 |
1 |
359 |
◊ |
A |
y,x,-z-2 |
7_553 |
4 |
3 |
23239 |
13.3 |
0.4 |
0.369 |
0 |
0 |
0 |
0.000 |
110 |
115 |
|
[MAN]A:713 |
1 |
1 |
293 |
f |
[NAG]A:715 |
x,y,z |
1_555 |
2 |
1 |
358 |
13.1 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
111 |
116 |
|
[MAN]B:707 |
2 |
1 |
285 |
f |
[NAG]B:710 |
x,y,z |
1_555 |
3 |
1 |
357 |
12.4 |
0.2 |
0.201 |
0 |
0 |
0 |
0.000 |
112 |
117 |
|
[ZN]B:701 |
1 |
1 |
98 |
◊ |
A |
y,x,-z-2 |
7_553 |
1 |
1 |
23239 |
7.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.011 |
118 |
|
[ZN]A:701 |
1 |
1 |
98 |
◊ |
B |
y,x,-z-2 |
7_553 |
1 |
1 |
23231 |
5.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
6.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
113 |
119 |
|
[BMA]A:711 |
1 |
1 |
294 |
f |
[FUC]A:710 |
x,y,z |
1_555 |
1 |
1 |
283 |
6.4 |
0.3 |
0.270 |
0 |
0 |
0 |
0.000 |
114 |
120 |
|
[MAN]B:718 |
1 |
1 |
288 |
f |
[NAG]B:719 |
x,y,z |
1_555 |
1 |
1 |
359 |
4.7 |
-0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
115 |
121 |
|
[ZN]B:702 |
1 |
1 |
98 |
◊ |
A |
y,x,-z-2 |
7_553 |
1 |
1 |
23239 |
3.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.006 |
122 |
|
[ZN]A:702 |
1 |
1 |
98 |
◊ |
B |
y,x,-z-2 |
7_553 |
1 |
1 |
23231 |
2.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
3.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
116 |
123 |
|
[MAN]B:712 |
1 |
1 |
294 |
f |
[NAG]B:715 |
x,y,z |
1_555 |
1 |
1 |
358 |
2.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
117 |
124 |
|
[MAN]A:713 |
1 |
1 |
293 |
f |
[FUC]A:710 |
x,y,z |
1_555 |
1 |
1 |
283 |
1.0 |
0.0 |
0.191 |
0 |
0 |
0 |
0.000 |
|