## |
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 |
|
A |
152 |
38 |
26091 |
◊ |
C |
x,y-1,z |
1_545 |
156 |
39 |
25644 |
1268.6 |
-3.3 |
0.573 |
4 |
8 |
0 |
0.000 |
2 |
2 |
|
D |
121 |
31 |
25532 |
◊ |
B |
x,y,z |
1_555 |
114 |
25 |
25582 |
1019.4 |
-5.3 |
0.407 |
8 |
1 |
0 |
0.000 |
3 |
3 |
|
D |
65 |
18 |
25532 |
◊ |
C |
x,y,z-1 |
1_554 |
60 |
21 |
25644 |
545.1 |
-1.5 |
0.429 |
1 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
50 |
17 |
25582 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
26091 |
533.9 |
4.6 |
0.921 |
9 |
7 |
0 |
0.000 |
5 |
5 |
|
A |
57 |
20 |
26091 |
◊ |
C |
x-1,y-1,z |
1_445 |
58 |
20 |
25644 |
517.1 |
-4.3 |
0.284 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
52 |
17 |
25582 |
◊ |
D |
x-1,y,z |
1_455 |
48 |
17 |
25532 |
463.7 |
-5.6 |
0.159 |
0 |
0 |
0 |
0.000 |
Average: |
490.4 |
-5.0 |
0.222 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
38 |
12 |
25644 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
26091 |
282.0 |
0.8 |
0.703 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
25 |
7 |
25582 |
◊ |
D |
x-1,y-1,z |
1_445 |
35 |
10 |
25532 |
258.2 |
1.0 |
0.694 |
1 |
1 |
0 |
0.000 |
Average: |
270.1 |
0.9 |
0.698 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
D |
23 |
7 |
25532 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
13 |
26091 |
224.9 |
-1.1 |
0.344 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
20 |
8 |
26091 |
◊ |
D |
x-1,y-1,z |
1_445 |
24 |
7 |
25532 |
218.0 |
-1.4 |
0.306 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
[PGE]A:716 |
10 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
31 |
11 |
26091 |
207.9 |
4.7 |
0.314 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[BCN]D:707 |
10 |
1 |
311 |
f |
D |
x,y,z |
1_555 |
26 |
9 |
25532 |
161.6 |
1.5 |
0.564 |
3 |
0 |
0 |
0.000 |
13 |
|
[BCN]C:706 |
10 |
1 |
311 |
f |
C |
x,y,z |
1_555 |
27 |
9 |
25644 |
160.7 |
1.7 |
0.567 |
3 |
0 |
0 |
0.000 |
14 |
|
[BCN]B:706 |
10 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
25582 |
160.4 |
1.6 |
0.540 |
3 |
0 |
0 |
0.000 |
15 |
|
[BCN]A:707 |
10 |
1 |
311 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
26091 |
155.3 |
1.4 |
0.525 |
3 |
0 |
0 |
0.000 |
Average: |
159.5 |
1.6 |
0.549 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
[PGE]B:708 |
10 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
25582 |
153.9 |
3.1 |
0.186 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[PGE]A:712 |
10 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
26091 |
153.7 |
3.5 |
0.202 |
0 |
0 |
0 |
0.000 |
18 |
|
[PGE]D:708 |
10 |
1 |
336 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
25532 |
152.6 |
3.6 |
0.218 |
2 |
0 |
0 |
0.000 |
Average: |
153.1 |
3.5 |
0.210 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[PEG]B:714 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
25582 |
152.5 |
3.4 |
0.383 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[PEG]B:707 |
7 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
25582 |
149.8 |
3.4 |
0.429 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[NAG]E:1 |
10 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
20 |
7 |
26091 |
136.5 |
3.9 |
0.527 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]H:1 |
10 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
22 |
7 |
25644 |
134.9 |
3.6 |
0.491 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]J:1 |
10 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
19 |
7 |
25532 |
133.4 |
4.0 |
0.504 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]B:701 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
18 |
6 |
25582 |
127.6 |
3.8 |
0.433 |
2 |
0 |
0 |
0.000 |
Average: |
133.1 |
3.8 |
0.489 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]C:711 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
25644 |
119.5 |
3.6 |
0.462 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]A:714 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
26091 |
119.3 |
3.1 |
0.474 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[PEG]B:713 |
6 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
25582 |
114.4 |
2.6 |
0.358 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]A:717 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
26091 |
111.0 |
2.9 |
0.484 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[PGE]B:709 |
10 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
25582 |
110.3 |
3.5 |
0.197 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]A:715 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
26091 |
108.9 |
3.1 |
0.339 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[BO3]A:706 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
26091 |
97.1 |
1.1 |
0.447 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[BO3]A:713 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
26091 |
96.1 |
0.9 |
0.413 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[FUC]K:3 |
7 |
1 |
283 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
25532 |
95.7 |
1.1 |
0.289 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[PEG]A:710 |
7 |
1 |
251 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
26091 |
95.7 |
1.9 |
0.293 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[MXE]C:707 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
25644 |
94.7 |
3.7 |
0.295 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[MXE]B:712 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
25582 |
93.5 |
2.3 |
0.173 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[BO3]D:706 |
4 |
1 |
167 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
25532 |
93.0 |
1.1 |
0.441 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[NAG]F:1 |
8 |
1 |
352 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
4 |
25644 |
91.7 |
3.1 |
0.545 |
1 |
0 |
0 |
0.000 |
39 |
|
A |
11 |
4 |
26091 |
◊ |
[NAG]I:1 |
x,y-1,z |
1_545 |
8 |
1 |
354 |
89.8 |
3.3 |
0.578 |
0 |
0 |
0 |
0.000 |
Average: |
90.7 |
3.2 |
0.561 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[BO3]D:713 |
4 |
1 |
168 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
25532 |
90.3 |
-0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[NAG]K:1 |
7 |
1 |
356 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
25582 |
90.0 |
2.9 |
0.564 |
2 |
0 |
0 |
0.000 |
32 |
42 |
|
[NAG]K:1 |
10 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
9 |
5 |
25532 |
89.9 |
2.2 |
0.362 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[NAG]G:1 |
8 |
1 |
346 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
25582 |
89.9 |
2.7 |
0.537 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[BO3]B:705 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
25582 |
89.5 |
0.9 |
0.437 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[NAG]I:1 |
10 |
1 |
354 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
25644 |
86.8 |
2.2 |
0.371 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]F:1 |
10 |
1 |
352 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
26091 |
86.2 |
2.2 |
0.368 |
0 |
0 |
0 |
0.000 |
Average: |
86.5 |
2.2 |
0.370 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[NAG]G:1 |
7 |
1 |
346 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
25532 |
86.8 |
2.3 |
0.473 |
1 |
0 |
0 |
0.000 |
37 |
48 |
|
[FUC]I:3 |
6 |
1 |
282 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
25644 |
83.6 |
1.6 |
0.432 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[BCN]A:709 |
7 |
1 |
307 |
f |
[BCN]A:707 |
x,y,z |
1_555 |
7 |
1 |
311 |
83.6 |
-1.9 |
0.247 |
0 |
0 |
0 |
0.007 |
39 |
50 |
|
[FUC]G:3 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
25582 |
83.4 |
1.7 |
0.383 |
0 |
0 |
0 |
0.000 |
51 |
|
[FUC]F:3 |
6 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
26091 |
82.0 |
1.6 |
0.420 |
0 |
0 |
0 |
0.000 |
Average: |
82.7 |
1.6 |
0.401 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[EDO]D:712 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
25532 |
82.2 |
2.2 |
0.271 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
[EDO]D:709 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
25532 |
81.1 |
2.0 |
0.286 |
2 |
0 |
0 |
0.000 |
42 |
54 |
|
[EDO]A:711 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
26091 |
80.8 |
3.3 |
0.513 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
[BCN]A:709 |
9 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
26091 |
79.0 |
-1.1 |
0.227 |
0 |
0 |
0 |
0.004 |
44 |
56 |
|
[EDO]B:710 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
25582 |
77.9 |
2.5 |
0.938 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[PEG]B:713 |
6 |
1 |
257 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
25532 |
76.0 |
0.4 |
0.155 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[NAG]I:2 |
8 |
1 |
362 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
6 |
1 |
354 |
75.8 |
2.1 |
0.132 |
0 |
0 |
0 |
0.000 |
59 |
|
[NAG]E:2 |
9 |
1 |
363 |
cf |
[NAG]E:1 |
x,y,z |
1_555 |
6 |
1 |
360 |
71.1 |
1.6 |
0.101 |
0 |
0 |
0 |
0.000 |
Average: |
73.4 |
1.9 |
0.117 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
[BO3]C:708 |
4 |
1 |
167 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
25644 |
75.1 |
0.3 |
0.379 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
[EDO]D:710 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
25532 |
73.0 |
2.3 |
0.255 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
[NAG]H:2 |
9 |
1 |
353 |
cf |
[NAG]H:1 |
x,y,z |
1_555 |
6 |
1 |
363 |
72.7 |
1.7 |
0.112 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
[EDO]B:711 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
25582 |
72.3 |
1.9 |
0.261 |
1 |
0 |
0 |
0.000 |
51 |
64 |
|
[EDO]C:709 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
25644 |
71.2 |
1.8 |
0.239 |
0 |
0 |
0 |
0.000 |
52 |
65 |
|
[NAG]G:2 |
10 |
1 |
364 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
6 |
1 |
346 |
69.9 |
1.6 |
0.088 |
0 |
0 |
0 |
0.000 |
53 |
66 |
|
[BO3]D:714 |
4 |
1 |
167 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
25532 |
69.2 |
0.5 |
0.427 |
0 |
0 |
0 |
0.000 |
54 |
67 |
|
[NAG]F:2 |
10 |
1 |
364 |
cf |
[NAG]F:1 |
x,y,z |
1_555 |
6 |
1 |
352 |
69.1 |
1.5 |
0.090 |
0 |
0 |
0 |
0.000 |
55 |
68 |
|
[CL]B:716 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
25582 |
68.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.047 |
69 |
|
[CL]D:716 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
25532 |
68.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.047 |
70 |
|
[CL]A:720 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
26091 |
68.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.047 |
71 |
|
[CL]C:713 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
25644 |
68.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
68.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.047 |
56 |
72 |
|
[NAG]K:2 |
10 |
1 |
356 |
cf |
[NAG]K:1 |
x,y,z |
1_555 |
6 |
1 |
356 |
68.4 |
1.4 |
0.089 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
[FUC]G:3 |
6 |
1 |
279 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
6 |
1 |
346 |
67.3 |
2.7 |
0.249 |
0 |
0 |
0 |
0.000 |
74 |
|
[FUC]I:3 |
7 |
1 |
282 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
6 |
1 |
354 |
65.9 |
2.6 |
0.189 |
0 |
0 |
0 |
0.000 |
75 |
|
[FUC]F:3 |
7 |
1 |
281 |
cf |
[NAG]F:1 |
x,y,z |
1_555 |
6 |
1 |
352 |
65.8 |
2.6 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
66.3 |
2.6 |
0.209 |
0 |
0 |
0 |
0.000 |
58 |
76 |
|
[NAG]J:2 |
11 |
1 |
365 |
cf |
[NAG]J:1 |
x,y,z |
1_555 |
6 |
1 |
364 |
67.3 |
1.3 |
0.068 |
0 |
0 |
0 |
0.000 |
59 |
77 |
|
[BO3]A:708 |
4 |
1 |
166 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
26091 |
67.3 |
0.7 |
0.442 |
0 |
0 |
0 |
0.000 |
60 |
78 |
|
[EDO]A:718 |
4 |
1 |
184 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
4 |
25644 |
64.7 |
2.1 |
0.279 |
0 |
0 |
0 |
0.000 |
61 |
79 |
|
[FUC]K:3 |
6 |
1 |
283 |
cf |
[NAG]K:1 |
x,y,z |
1_555 |
6 |
1 |
356 |
62.2 |
2.2 |
0.207 |
0 |
0 |
0 |
0.000 |
62 |
80 |
|
[EDO]C:710 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
25644 |
61.2 |
2.1 |
0.286 |
0 |
0 |
0 |
0.000 |
63 |
81 |
|
[MG]C:714 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
25644 |
54.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.018 |
82 |
|
[MG]A:721 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
26091 |
51.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.018 |
83 |
|
[MG]B:717 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
25582 |
45.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
50.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.018 |
64 |
84 |
|
[BO3]A:708 |
3 |
1 |
166 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
25582 |
51.3 |
1.4 |
0.744 |
2 |
0 |
0 |
0.000 |
65 |
85 |
|
[ZN]C:712 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
25644 |
50.4 |
-36.9 |
0.000 |
0 |
0 |
0 |
0.137 |
86 |
|
[ZN]B:715 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
25582 |
50.2 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.137 |
87 |
|
[ZN]A:719 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
26091 |
50.1 |
-37.2 |
0.000 |
0 |
0 |
0 |
0.137 |
88 |
|
[ZN]D:715 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
25532 |
48.3 |
-34.6 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
49.8 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.137 |
66 |
89 |
|
[NA]B:719 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
25582 |
48.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.015 |
67 |
90 |
|
[EDO]D:711 |
4 |
1 |
185 |
f |
[BCN]D:707 |
x,y,z |
1_555 |
4 |
1 |
311 |
47.3 |
0.5 |
0.588 |
1 |
0 |
0 |
0.000 |
68 |
91 |
|
D |
6 |
2 |
25532 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
25644 |
44.9 |
-0.5 |
0.485 |
0 |
0 |
0 |
0.000 |
69 |
92 |
|
[PGE]A:716 |
5 |
1 |
329 |
f |
[EDO]A:717 |
x,y,z |
1_555 |
3 |
1 |
184 |
44.1 |
2.2 |
0.311 |
0 |
0 |
0 |
0.000 |
70 |
93 |
|
[FUC]G:3 |
5 |
1 |
279 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
6 |
1 |
364 |
43.5 |
2.2 |
0.249 |
0 |
0 |
0 |
0.000 |
71 |
94 |
|
[NAG]H:2 |
3 |
1 |
353 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
25644 |
43.0 |
1.2 |
0.611 |
0 |
0 |
0 |
0.000 |
72 |
95 |
|
[CA]C:715 |
1 |
1 |
85 |
f |
[BCN]C:706 |
x,y,z |
1_555 |
4 |
1 |
311 |
41.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.048 |
96 |
|
[CA]B:718 |
1 |
1 |
85 |
f |
[BCN]B:706 |
x,y,z |
1_555 |
4 |
1 |
311 |
41.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.048 |
97 |
|
[CA]D:717 |
1 |
1 |
85 |
f |
[BCN]D:707 |
x,y,z |
1_555 |
4 |
1 |
311 |
33.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.048 |
98 |
|
[CA]A:722 |
1 |
1 |
85 |
f |
[BCN]A:707 |
x,y,z |
1_555 |
4 |
1 |
311 |
28.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.048 |
99 |
|
[CA]A:722 |
1 |
1 |
85 |
f |
[BCN]A:709 |
x,y,z |
1_555 |
5 |
1 |
307 |
28.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
34.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.048 |
73 |
100 |
|
[FUC]K:3 |
4 |
1 |
283 |
f |
[NAG]K:2 |
x,y,z |
1_555 |
6 |
1 |
356 |
40.8 |
1.8 |
0.239 |
0 |
0 |
0 |
0.000 |
74 |
101 |
|
[EDO]A:718 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
26091 |
38.6 |
1.8 |
0.933 |
0 |
0 |
0 |
0.000 |
75 |
102 |
|
[FUC]K:3 |
4 |
1 |
283 |
f |
[BO3]D:713 |
x,y,z |
1_555 |
3 |
1 |
168 |
37.6 |
0.5 |
0.256 |
0 |
0 |
0 |
0.000 |
76 |
103 |
|
[FUC]F:3 |
5 |
1 |
281 |
f |
[NAG]F:2 |
x,y,z |
1_555 |
6 |
1 |
364 |
35.1 |
1.9 |
0.166 |
0 |
0 |
0 |
0.000 |
77 |
104 |
|
[EDO]D:711 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
25532 |
34.1 |
0.4 |
0.623 |
0 |
0 |
0 |
0.000 |
78 |
105 |
|
[FUC]I:3 |
5 |
1 |
282 |
f |
[NAG]I:2 |
x,y,z |
1_555 |
5 |
1 |
362 |
31.1 |
1.7 |
0.164 |
0 |
0 |
0 |
0.000 |
79 |
106 |
|
[CA]D:717 |
1 |
1 |
85 |
f |
[EDO]D:711 |
x,y,z |
1_555 |
4 |
1 |
185 |
27.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.011 |
80 |
107 |
|
[MXE]B:712 |
3 |
1 |
219 |
f |
[PGE]B:709 |
x,y,z |
1_555 |
2 |
1 |
327 |
27.4 |
0.7 |
0.412 |
0 |
0 |
0 |
0.000 |
81 |
108 |
|
[EDO]A:715 |
1 |
1 |
183 |
f |
[EDO]A:714 |
x,y,z |
1_555 |
2 |
1 |
184 |
26.9 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
82 |
109 |
|
[NAG]E:2 |
3 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
26091 |
24.0 |
0.5 |
0.306 |
0 |
0 |
0 |
0.000 |
83 |
110 |
|
[EDO]A:718 |
2 |
1 |
184 |
f |
[BO3]A:706 |
x,y,z |
1_555 |
2 |
1 |
167 |
20.2 |
0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
84 |
111 |
|
A |
2 |
1 |
26091 |
◊ |
[NAG]I:2 |
x,y-1,z |
1_545 |
2 |
1 |
362 |
19.8 |
0.6 |
0.428 |
0 |
0 |
0 |
0.000 |
85 |
112 |
|
[NAG]J:2 |
5 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
25532 |
17.4 |
0.8 |
0.334 |
0 |
0 |
0 |
0.000 |
86 |
113 |
|
[EDO]C:709 |
1 |
1 |
184 |
f |
[BO3]C:708 |
x,y,z |
1_555 |
2 |
1 |
167 |
8.8 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
87 |
114 |
|
[PEG]B:714 |
1 |
1 |
261 |
f |
[BO3]A:708 |
x,y,z |
1_555 |
2 |
1 |
166 |
8.8 |
0.3 |
0.354 |
0 |
0 |
0 |
0.000 |
88 |
115 |
|
[NAG]F:2 |
2 |
1 |
364 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
25644 |
8.7 |
0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
89 |
116 |
|
[ZN]D:715 |
1 |
1 |
98 |
f |
[EDO]D:712 |
x,y,z |
1_555 |
2 |
1 |
185 |
8.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.008 |
90 |
117 |
|
[NAG]G:2 |
3 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
25532 |
8.2 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
91 |
118 |
|
[PGE]D:708 |
1 |
1 |
336 |
f |
[EDO]D:712 |
x,y,z |
1_555 |
3 |
1 |
185 |
7.7 |
-0.0 |
0.316 |
0 |
0 |
0 |
0.000 |
92 |
119 |
|
D |
3 |
1 |
25532 |
f |
[MXE]C:707 |
x,y,z-1 |
1_554 |
2 |
1 |
220 |
6.6 |
0.2 |
0.869 |
0 |
0 |
0 |
0.000 |
93 |
120 |
|
[PGE]B:708 |
1 |
1 |
333 |
f |
[PEG]B:707 |
x,y,z |
1_555 |
2 |
1 |
253 |
5.7 |
-0.0 |
0.150 |
0 |
0 |
0 |
0.000 |
94 |
121 |
|
[ZN]B:715 |
1 |
1 |
98 |
f |
[BCN]B:706 |
x,y,z |
1_555 |
1 |
1 |
311 |
5.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
122 |
|
[ZN]A:719 |
1 |
1 |
98 |
f |
[BCN]A:707 |
x,y,z |
1_555 |
2 |
1 |
311 |
3.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
123 |
|
[ZN]D:715 |
1 |
1 |
98 |
f |
[BCN]D:707 |
x,y,z |
1_555 |
2 |
1 |
311 |
3.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
124 |
|
[ZN]C:712 |
1 |
1 |
98 |
f |
[BCN]C:706 |
x,y,z |
1_555 |
1 |
1 |
311 |
2.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
3.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.005 |
95 |
125 |
|
[EDO]A:711 |
1 |
1 |
185 |
f |
[PEG]A:710 |
x,y,z |
1_555 |
1 |
1 |
251 |
4.8 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
96 |
126 |
|
[CA]D:717 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
25532 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
127 |
|
[CA]B:718 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
25582 |
4.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
128 |
|
[CA]C:715 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
25644 |
3.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
129 |
|
[CA]A:722 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
26091 |
3.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
3.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
97 |
130 |
|
[NAG]G:2 |
1 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
25582 |
4.3 |
0.1 |
0.302 |
0 |
0 |
0 |
0.000 |
98 |
131 |
|
[FUC]K:3 |
1 |
1 |
283 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
26091 |
3.7 |
0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
99 |
132 |
|
[NAG]K:2 |
1 |
1 |
356 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
25532 |
3.0 |
0.0 |
0.365 |
0 |
0 |
0 |
0.000 |
100 |
133 |
|
[BO3]A:713 |
1 |
1 |
168 |
f |
[BO3]A:706 |
x,y,z |
1_555 |
1 |
1 |
167 |
2.6 |
0.1 |
0.250 |
0 |
0 |
0 |
0.000 |
101 |
134 |
|
[NAG]I:2 |
1 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
25644 |
2.6 |
0.0 |
0.234 |
0 |
0 |
0 |
0.000 |
102 |
135 |
|
[ZN]C:712 |
1 |
1 |
98 |
f |
[BO3]C:708 |
x,y,z |
1_555 |
1 |
1 |
167 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
103 |
136 |
|
[NAG]F:2 |
1 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
26091 |
2.5 |
0.0 |
0.239 |
0 |
0 |
0 |
0.000 |
104 |
137 |
|
[BO3]D:713 |
1 |
1 |
168 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
26091 |
0.8 |
0.0 |
0.421 |
0 |
0 |
0 |
0.000 |
105 |
138 |
|
[NAG]K:2 |
1 |
1 |
356 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
25582 |
0.6 |
-0.0 |
0.313 |
0 |
0 |
0 |
0.000 |
106 |
139 |
|
[PGE]A:712 |
1 |
1 |
334 |
f |
[EDO]A:714 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.1 |
0.0 |
0.316 |
0 |
0 |
0 |
0.000 |
|