| ## |
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 |
182 |
51 |
11555 |
◊ |
A |
x,y,z |
1_555 |
187 |
56 |
11930 |
1646.0 |
-27.2 |
0.025 |
9 |
2 |
0 |
0.676 |
2 |
|
F |
178 |
52 |
11540 |
◊ |
E |
x,y,z |
1_555 |
180 |
55 |
11932 |
1620.9 |
-27.9 |
0.020 |
11 |
2 |
0 |
0.676 |
| Average: |
1633.4 |
-27.6 |
0.023 |
10 |
2 |
0 |
0.676 |
| 2 |
3 |
|
L |
188 |
53 |
11417 |
◊ |
H |
x,y,z |
1_555 |
181 |
50 |
11446 |
1637.8 |
-24.5 |
0.036 |
15 |
2 |
0 |
0.861 |
4 |
|
D |
184 |
53 |
11423 |
◊ |
C |
x,y,z |
1_555 |
184 |
52 |
11417 |
1635.6 |
-23.8 |
0.039 |
14 |
2 |
0 |
0.861 |
| Average: |
1636.7 |
-24.2 |
0.038 |
15 |
2 |
0 |
0.861 |
| 3 |
5 |
|
E |
60 |
18 |
11932 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
11930 |
558.0 |
5.1 |
0.961 |
12 |
0 |
0 |
0.000 |
| 4 |
6 |
|
H |
55 |
18 |
11446 |
◊ |
R |
x,y,z |
1_555 |
57 |
18 |
10188 |
536.4 |
-5.3 |
0.338 |
8 |
0 |
0 |
0.010 |
7 |
|
C |
60 |
19 |
11417 |
◊ |
X |
x,y,z |
1_555 |
56 |
20 |
10132 |
536.3 |
-5.3 |
0.350 |
7 |
0 |
0 |
0.010 |
| Average: |
536.3 |
-5.3 |
0.344 |
8 |
0 |
0 |
0.010 |
| 5 |
8 |
|
L |
43 |
13 |
11417 |
◊ |
D |
x,y,z |
1_555 |
43 |
13 |
11423 |
442.7 |
0.8 |
0.711 |
15 |
0 |
0 |
0.000 |
| 6 |
9 |
|
A |
52 |
15 |
11930 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
45 |
15 |
10188 |
437.6 |
-2.7 |
0.516 |
5 |
0 |
0 |
0.000 |
10 |
|
X |
41 |
14 |
10132 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
48 |
13 |
11932 |
426.1 |
-2.6 |
0.497 |
4 |
0 |
0 |
0.000 |
| Average: |
431.9 |
-2.6 |
0.507 |
5 |
0 |
0 |
0.000 |
| 7 |
11 |
|
E |
44 |
11 |
11932 |
◊ |
X |
x,y,z |
1_555 |
49 |
17 |
10132 |
424.2 |
-4.2 |
0.354 |
5 |
0 |
0 |
0.015 |
12 |
|
A |
45 |
11 |
11930 |
◊ |
R |
x,y,z |
1_555 |
48 |
16 |
10188 |
421.9 |
-4.3 |
0.336 |
4 |
0 |
0 |
0.015 |
| Average: |
423.1 |
-4.3 |
0.345 |
5 |
0 |
0 |
0.015 |
| 8 |
13 |
|
F |
44 |
14 |
11540 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
12 |
11555 |
346.2 |
0.8 |
0.771 |
6 |
0 |
0 |
0.000 |
| 9 |
14 |
|
F |
37 |
11 |
11540 |
◊ |
X |
x,y,z |
1_555 |
35 |
12 |
10132 |
337.5 |
-0.8 |
0.499 |
8 |
0 |
0 |
0.010 |
15 |
|
B |
36 |
11 |
11555 |
◊ |
R |
x,y,z |
1_555 |
36 |
12 |
10188 |
332.9 |
-1.5 |
0.442 |
6 |
0 |
0 |
0.010 |
| Average: |
335.2 |
-1.2 |
0.471 |
7 |
0 |
0 |
0.010 |
| 10 |
16 |
|
B |
21 |
5 |
11555 |
◊ |
D |
x,y,z-1 |
1_554 |
30 |
9 |
11423 |
225.5 |
0.4 |
0.524 |
3 |
1 |
0 |
0.000 |
| 11 |
17 |
|
A |
25 |
10 |
11930 |
◊ |
H |
x,y,z |
1_555 |
22 |
8 |
11446 |
213.2 |
1.0 |
0.833 |
4 |
0 |
0 |
0.000 |
18 |
|
E |
24 |
9 |
11932 |
◊ |
C |
x,y,z |
1_555 |
24 |
8 |
11417 |
207.5 |
0.9 |
0.810 |
4 |
0 |
0 |
0.000 |
| Average: |
210.4 |
1.0 |
0.822 |
4 |
0 |
0 |
0.001 |
| 12 |
19 |
|
L |
21 |
6 |
11417 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
6 |
11423 |
191.9 |
0.1 |
0.635 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[BTB]E:404 |
11 |
1 |
350 |
f |
E |
x,y,z |
1_555 |
22 |
10 |
11932 |
163.9 |
2.5 |
0.188 |
5 |
0 |
0 |
0.000 |
| 14 |
21 |
|
L |
17 |
5 |
11417 |
◊ |
R |
x,y,z |
1_555 |
20 |
7 |
10188 |
155.8 |
-2.1 |
0.254 |
2 |
0 |
0 |
0.003 |
22 |
|
D |
18 |
5 |
11423 |
◊ |
X |
x,y,z |
1_555 |
19 |
7 |
10132 |
152.6 |
-1.9 |
0.266 |
2 |
0 |
0 |
0.003 |
| Average: |
154.2 |
-2.0 |
0.260 |
2 |
0 |
0 |
0.003 |
| 15 |
23 |
|
[PEG]X:803 |
7 |
1 |
255 |
◊ |
X |
x,y,z |
1_555 |
25 |
10 |
10132 |
139.1 |
2.6 |
0.376 |
2 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[PEG]R:802 |
7 |
1 |
261 |
f |
R |
x,y,z |
1_555 |
24 |
10 |
10188 |
136.1 |
2.7 |
0.384 |
4 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[GOL]R:801 |
6 |
1 |
218 |
f |
R |
x,y,z |
1_555 |
18 |
5 |
10188 |
118.4 |
-1.0 |
0.474 |
2 |
0 |
0 |
0.005 |
| 18 |
26 |
|
[GOL]X:801 |
6 |
1 |
217 |
f |
X |
x,y,z |
1_555 |
19 |
6 |
10132 |
114.3 |
-0.9 |
0.473 |
2 |
0 |
0 |
0.003 |
| 19 |
27 |
|
C |
16 |
6 |
11417 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
11 |
3 |
11446 |
114.3 |
0.1 |
0.695 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[NAG]J:1 |
7 |
1 |
363 |
cf |
X |
x,y,z |
1_555 |
12 |
6 |
10132 |
112.7 |
3.5 |
0.608 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[NAG]G:1 |
8 |
1 |
363 |
cf |
R |
x,y,z |
1_555 |
11 |
6 |
10188 |
110.6 |
3.2 |
0.516 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[GOL]A:302 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
11930 |
110.5 |
-0.8 |
0.515 |
3 |
0 |
0 |
0.046 |
| 23 |
31 |
|
[GOL]C:501 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
11417 |
109.5 |
-0.5 |
0.561 |
1 |
0 |
0 |
0.025 |
| 24 |
32 |
|
[GOL]E:403 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
11932 |
107.5 |
-0.0 |
0.657 |
3 |
0 |
0 |
0.020 |
| 25 |
33 |
|
[GOL]A:301 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
11930 |
105.0 |
-0.1 |
0.621 |
3 |
0 |
0 |
0.030 |
| 26 |
34 |
|
[TRS]L:301 |
6 |
1 |
254 |
◊ |
R |
x,y,z |
1_555 |
12 |
6 |
10188 |
100.5 |
1.8 |
0.091 |
2 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[TRS]D:1201 |
6 |
1 |
255 |
f |
X |
x,y,z |
1_555 |
13 |
7 |
10132 |
99.0 |
1.6 |
0.096 |
2 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[PEG]E:402 |
7 |
1 |
261 |
◊ |
E |
x,y,z |
1_555 |
15 |
7 |
11932 |
98.8 |
2.0 |
0.247 |
1 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[FUC]K:4 |
6 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
11417 |
96.7 |
2.2 |
0.490 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[FUC]I:3 |
6 |
1 |
282 |
f |
H |
x,y,z |
1_555 |
20 |
6 |
11446 |
95.9 |
2.4 |
0.527 |
1 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[GOL]B:902 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11555 |
95.2 |
0.3 |
0.634 |
3 |
0 |
0 |
0.100 |
| 32 |
40 |
|
[NAG]I:1 |
10 |
1 |
362 |
cf |
H |
x,y,z |
1_555 |
10 |
5 |
11446 |
93.5 |
2.6 |
0.387 |
0 |
0 |
0 |
0.000 |
41 |
|
[NAG]K:1 |
10 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
11 |
5 |
11417 |
92.9 |
2.8 |
0.385 |
0 |
0 |
0 |
0.000 |
| Average: |
93.2 |
2.7 |
0.386 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
[GOL]E:401 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
11932 |
90.9 |
-0.6 |
0.545 |
4 |
0 |
0 |
0.034 |
| 34 |
43 |
|
[TRS]D:1201 |
7 |
1 |
255 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
11423 |
90.6 |
1.9 |
0.741 |
2 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[TRS]L:301 |
7 |
1 |
254 |
f |
L |
x,y,z |
1_555 |
15 |
7 |
11417 |
90.3 |
1.5 |
0.720 |
2 |
0 |
0 |
0.000 |
| 36 |
45 |
|
[GOL]A:303 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11930 |
90.0 |
-0.3 |
0.583 |
5 |
0 |
0 |
0.055 |
| 37 |
46 |
|
[GOL]D:1202 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
11417 |
89.9 |
-1.2 |
0.485 |
4 |
0 |
0 |
0.080 |
| 38 |
47 |
|
[PO4]E:405 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
11932 |
89.1 |
-5.6 |
0.791 |
4 |
0 |
0 |
0.107 |
| 39 |
48 |
|
[GOL]X:802 |
6 |
1 |
218 |
f |
X |
x,y,z |
1_555 |
13 |
4 |
10132 |
87.5 |
0.5 |
0.657 |
3 |
0 |
0 |
0.001 |
| 40 |
49 |
|
[GOL]D:1202 |
6 |
1 |
215 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
11423 |
81.9 |
-0.2 |
0.551 |
5 |
0 |
0 |
0.067 |
| 41 |
50 |
|
[GOL]H:503 |
4 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
11446 |
81.8 |
-0.5 |
0.551 |
1 |
0 |
0 |
0.026 |
| 42 |
51 |
|
[GOL]A:303 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11555 |
79.3 |
-0.7 |
0.445 |
2 |
0 |
0 |
0.034 |
| 43 |
52 |
|
[GOL]E:401 |
6 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
11540 |
77.8 |
-0.8 |
0.472 |
3 |
0 |
0 |
0.031 |
| 44 |
53 |
|
[NAG]G:2 |
11 |
1 |
363 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
73.3 |
1.9 |
0.075 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]I:2 |
8 |
1 |
363 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.0 |
1.6 |
0.099 |
0 |
0 |
0 |
0.000 |
| Average: |
71.2 |
1.8 |
0.087 |
0 |
0 |
0 |
0.000 |
| 45 |
55 |
|
[GOL]H:502 |
5 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
11446 |
73.2 |
-0.2 |
0.571 |
1 |
0 |
0 |
0.019 |
| 46 |
56 |
|
[PEG]X:804 |
7 |
1 |
256 |
◊ |
X |
x,y,z |
1_555 |
9 |
3 |
10132 |
72.8 |
1.6 |
0.216 |
0 |
0 |
0 |
0.000 |
| 47 |
57 |
|
[PEG]X:804 |
5 |
1 |
256 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11423 |
72.6 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
| 48 |
58 |
|
[PO4]E:406 |
4 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
11932 |
70.6 |
-4.0 |
0.786 |
2 |
0 |
0 |
0.071 |
| 49 |
59 |
|
[GOL]H:501 |
5 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
11 |
3 |
11446 |
68.7 |
-0.5 |
0.495 |
2 |
0 |
0 |
0.037 |
| 50 |
60 |
|
[PO4]A:304 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11930 |
68.7 |
-3.9 |
0.787 |
3 |
0 |
0 |
0.112 |
| 51 |
61 |
|
[NAG]K:2 |
9 |
1 |
363 |
cf |
[NAG]K:1 |
x,y,z |
1_555 |
7 |
1 |
361 |
68.4 |
1.5 |
0.081 |
0 |
0 |
0 |
0.000 |
| 52 |
62 |
|
[NAG]J:2 |
9 |
1 |
363 |
cf |
[NAG]J:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
68.1 |
1.4 |
0.075 |
0 |
0 |
0 |
0.000 |
| 53 |
63 |
|
[PEG]E:402 |
6 |
1 |
261 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
11540 |
68.0 |
1.8 |
0.281 |
1 |
0 |
0 |
0.000 |
| 54 |
64 |
|
[BMA]G:3 |
7 |
1 |
292 |
cf |
[NAG]G:2 |
x,y,z |
1_555 |
5 |
1 |
363 |
61.1 |
1.3 |
0.114 |
0 |
0 |
0 |
0.000 |
| 55 |
65 |
|
[BMA]J:3 |
7 |
1 |
289 |
cf |
[NAG]J:2 |
x,y,z |
1_555 |
5 |
1 |
363 |
60.6 |
1.2 |
0.102 |
0 |
0 |
0 |
0.000 |
| 56 |
66 |
|
[BMA]K:3 |
6 |
1 |
291 |
cf |
[NAG]K:2 |
x,y,z |
1_555 |
4 |
1 |
363 |
60.2 |
1.7 |
0.196 |
0 |
0 |
0 |
0.000 |
| 57 |
67 |
|
[PO4]A:304 |
5 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
10 |
3 |
11446 |
59.5 |
-2.8 |
0.896 |
3 |
0 |
0 |
0.005 |
| 58 |
68 |
|
[CL]E:408 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
11932 |
57.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.110 |
| 59 |
69 |
|
[MAN]G:4 |
5 |
1 |
294 |
cf |
[BMA]G:3 |
x,y,z |
1_555 |
6 |
1 |
292 |
56.3 |
2.8 |
0.261 |
0 |
0 |
0 |
0.000 |
| 60 |
70 |
|
[FUC]I:3 |
7 |
1 |
282 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
5 |
1 |
362 |
55.9 |
2.0 |
0.177 |
0 |
0 |
0 |
0.000 |
| 61 |
71 |
|
[GOL]B:901 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
11555 |
55.6 |
0.5 |
0.642 |
1 |
0 |
0 |
0.000 |
| 62 |
72 |
|
D |
9 |
4 |
11423 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
11 |
3 |
10188 |
55.6 |
-0.4 |
0.487 |
0 |
0 |
0 |
0.000 |
| 63 |
73 |
|
[FUC]G:6 |
6 |
1 |
279 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
5 |
1 |
363 |
55.3 |
2.0 |
0.177 |
0 |
0 |
0 |
0.000 |
| 64 |
74 |
|
C |
6 |
3 |
11417 |
◊ |
H |
-x-1,y-1/2,-z+1 |
2_446 |
6 |
3 |
11446 |
55.0 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
| 65 |
75 |
|
[CL]H:504 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
11446 |
54.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.189 |
76 |
|
[CL]C:502 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11417 |
54.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.189 |
| Average: |
54.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.189 |
| 66 |
77 |
|
[FUC]K:4 |
6 |
1 |
281 |
cf |
[NAG]K:1 |
x,y,z |
1_555 |
4 |
1 |
361 |
54.5 |
2.2 |
0.203 |
0 |
0 |
0 |
0.000 |
| 67 |
78 |
|
[FUC]J:5 |
5 |
1 |
281 |
cf |
[NAG]J:1 |
x,y,z |
1_555 |
5 |
1 |
363 |
54.5 |
2.3 |
0.273 |
0 |
0 |
0 |
0.000 |
| 68 |
79 |
|
[MAN]J:4 |
6 |
1 |
292 |
cf |
[BMA]J:3 |
x,y,z |
1_555 |
4 |
1 |
289 |
54.0 |
2.7 |
0.290 |
0 |
0 |
0 |
0.000 |
| 69 |
80 |
|
[GOL]F:301 |
4 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
11540 |
53.8 |
0.4 |
0.638 |
1 |
0 |
0 |
0.000 |
| 70 |
81 |
|
[MAN]G:5 |
6 |
1 |
292 |
cf |
[BMA]G:3 |
x,y,z |
1_555 |
3 |
1 |
292 |
53.2 |
2.3 |
0.299 |
0 |
0 |
0 |
0.000 |
| 71 |
82 |
|
[PO4]E:406 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11417 |
52.7 |
-2.4 |
0.893 |
3 |
0 |
0 |
0.000 |
| 72 |
83 |
|
[GOL]B:902 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11930 |
51.4 |
0.4 |
0.691 |
2 |
0 |
0 |
0.011 |
| 73 |
84 |
|
A |
6 |
2 |
11930 |
◊ |
[PEG]R:802 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
261 |
50.7 |
1.3 |
0.303 |
0 |
0 |
0 |
0.000 |
| 74 |
85 |
|
[CL]E:407 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
11540 |
49.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.138 |
| 75 |
86 |
|
[FUC]J:5 |
5 |
1 |
281 |
f |
[NAG]J:2 |
x,y,z |
1_555 |
8 |
1 |
363 |
47.7 |
2.0 |
0.122 |
0 |
0 |
0 |
0.000 |
| 76 |
87 |
|
F |
6 |
3 |
11540 |
◊ |
L |
x,y,z-1 |
1_554 |
6 |
3 |
11417 |
45.5 |
0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
| 77 |
88 |
|
[GOL]H:502 |
4 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
4 |
2 |
11417 |
45.1 |
-0.7 |
0.359 |
0 |
0 |
0 |
1.000 |
| 78 |
89 |
|
[NAG]K:1 |
3 |
1 |
361 |
◊ |
H |
-x-1,y-1/2,-z+1 |
2_446 |
7 |
4 |
11446 |
45.0 |
1.2 |
0.576 |
0 |
0 |
0 |
0.000 |
| 79 |
90 |
|
[CL]C:502 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
11423 |
44.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.161 |
91 |
|
[CL]H:504 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
11417 |
43.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.161 |
| Average: |
44.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.161 |
| 80 |
92 |
|
[GOL]F:301 |
5 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
11932 |
43.2 |
-1.1 |
0.307 |
0 |
0 |
0 |
0.016 |
| 81 |
93 |
|
[GOL]H:501 |
3 |
1 |
219 |
◊ |
R |
x,y,z |
1_555 |
3 |
2 |
10188 |
42.5 |
0.7 |
0.800 |
1 |
0 |
0 |
0.000 |
| 82 |
94 |
|
[CL]E:407 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
11932 |
39.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.067 |
| 83 |
95 |
|
[GOL]B:901 |
4 |
1 |
217 |
◊ |
R |
x,y,z |
1_555 |
7 |
2 |
10188 |
39.8 |
-0.8 |
0.383 |
0 |
0 |
0 |
0.002 |
| 84 |
96 |
|
[FUC]G:6 |
3 |
1 |
279 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
6 |
1 |
363 |
39.2 |
2.0 |
0.251 |
0 |
0 |
0 |
0.000 |
| 85 |
97 |
|
[GOL]B:901 |
4 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
11930 |
38.7 |
-0.8 |
0.309 |
0 |
0 |
0 |
0.016 |
| 86 |
98 |
|
[MAN]J:4 |
4 |
1 |
292 |
f |
[NAG]J:2 |
x,y,z |
1_555 |
6 |
1 |
363 |
38.3 |
1.3 |
0.165 |
0 |
0 |
0 |
0.000 |
| 87 |
99 |
|
[GOL]X:802 |
4 |
1 |
218 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
1 |
11423 |
35.1 |
-0.1 |
0.555 |
1 |
0 |
0 |
0.000 |
| 88 |
100 |
|
[GOL]A:302 |
2 |
1 |
216 |
◊ |
R |
x,y,z |
1_555 |
4 |
2 |
10188 |
33.0 |
0.3 |
0.722 |
1 |
0 |
0 |
0.000 |
| 89 |
101 |
|
[GOL]F:301 |
5 |
1 |
218 |
◊ |
X |
x,y,z |
1_555 |
6 |
2 |
10132 |
32.8 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
| 90 |
102 |
|
[NAG]G:1 |
6 |
1 |
363 |
f |
[GOL]R:801 |
x,y,z |
1_555 |
3 |
1 |
218 |
31.4 |
1.1 |
0.348 |
0 |
0 |
0 |
0.000 |
| 91 |
103 |
|
[PO4]E:405 |
3 |
1 |
189 |
◊ |
X |
x,y,z |
1_555 |
4 |
2 |
10132 |
29.8 |
-1.5 |
0.803 |
1 |
0 |
0 |
0.003 |
| 92 |
104 |
|
[FUC]K:4 |
2 |
1 |
281 |
f |
[NAG]K:2 |
x,y,z |
1_555 |
5 |
1 |
363 |
29.6 |
1.4 |
0.248 |
0 |
0 |
0 |
0.000 |
| 93 |
105 |
|
[NAG]J:1 |
5 |
1 |
363 |
f |
[GOL]X:801 |
x,y,z |
1_555 |
3 |
1 |
217 |
29.1 |
0.5 |
0.295 |
0 |
0 |
0 |
0.000 |
| 94 |
106 |
|
[GOL]H:503 |
3 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
11417 |
28.6 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
| 95 |
107 |
|
[FUC]I:3 |
2 |
1 |
282 |
f |
[NAG]I:2 |
x,y,z |
1_555 |
7 |
1 |
363 |
28.0 |
1.5 |
0.181 |
0 |
0 |
0 |
0.000 |
| 96 |
108 |
|
[BTB]E:404 |
5 |
1 |
350 |
f |
[CL]E:408 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 97 |
109 |
|
[PEG]X:804 |
3 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
11417 |
26.6 |
-0.0 |
0.239 |
0 |
0 |
0 |
0.000 |
| 98 |
110 |
|
[NAG]I:2 |
1 |
1 |
363 |
◊ |
R |
x,y,z |
1_555 |
6 |
4 |
10188 |
24.7 |
0.8 |
0.676 |
0 |
0 |
0 |
0.000 |
111 |
|
[NAG]K:2 |
1 |
1 |
363 |
◊ |
X |
x,y,z |
1_555 |
7 |
4 |
10132 |
21.3 |
0.8 |
0.722 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
0.8 |
0.699 |
0 |
0 |
0 |
0.000 |
| 99 |
112 |
|
E |
4 |
2 |
11932 |
◊ |
[MAN]G:4 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
294 |
24.4 |
-0.2 |
0.238 |
0 |
0 |
0 |
0.000 |
| 100 |
113 |
|
[NAG]I:2 |
3 |
1 |
363 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
11446 |
23.3 |
0.8 |
0.434 |
0 |
0 |
0 |
0.000 |
| 101 |
114 |
|
[NAG]K:2 |
4 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
11417 |
23.0 |
0.8 |
0.418 |
0 |
0 |
0 |
0.000 |
| 102 |
115 |
|
X |
7 |
3 |
10132 |
◊ |
L |
-x-1,y-1/2,-z+1 |
2_446 |
7 |
4 |
11417 |
22.4 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 103 |
116 |
|
[MAN]G:5 |
3 |
1 |
292 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
3 |
1 |
363 |
19.4 |
0.5 |
0.210 |
0 |
0 |
0 |
0.000 |
| 104 |
117 |
|
[NAG]G:2 |
2 |
1 |
363 |
f |
R |
x,y,z |
1_555 |
1 |
1 |
10188 |
17.1 |
0.5 |
0.462 |
0 |
0 |
0 |
0.000 |
| 105 |
118 |
|
[FUC]G:6 |
4 |
1 |
279 |
f |
R |
x,y,z |
1_555 |
3 |
1 |
10188 |
16.6 |
0.4 |
0.281 |
0 |
0 |
0 |
0.000 |
| 106 |
119 |
|
[MAN]G:4 |
2 |
1 |
294 |
f |
[NAG]G:2 |
x,y,z |
1_555 |
2 |
1 |
363 |
11.3 |
0.3 |
0.232 |
0 |
0 |
0 |
0.000 |
| 107 |
120 |
|
[PEG]X:803 |
2 |
1 |
255 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
11540 |
9.8 |
0.1 |
0.293 |
0 |
0 |
0 |
0.000 |
| 108 |
121 |
|
[NAG]J:2 |
2 |
1 |
363 |
f |
X |
x,y,z |
1_555 |
1 |
1 |
10132 |
8.9 |
0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
| 109 |
122 |
|
L |
1 |
1 |
11417 |
◊ |
R |
x-1,y,z |
1_455 |
1 |
1 |
10188 |
5.6 |
0.4 |
0.870 |
0 |
0 |
0 |
0.000 |
| 110 |
123 |
|
[NAG]G:2 |
1 |
1 |
363 |
f |
[GOL]R:801 |
x,y,z |
1_555 |
3 |
1 |
218 |
5.6 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
| 111 |
124 |
|
[FUC]J:5 |
1 |
1 |
281 |
f |
X |
x,y,z |
1_555 |
1 |
1 |
10132 |
2.7 |
0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
| 112 |
125 |
|
[FUC]J:5 |
1 |
1 |
281 |
f |
[BMA]J:3 |
x,y,z |
1_555 |
1 |
1 |
289 |
2.2 |
0.1 |
0.191 |
0 |
0 |
0 |
0.000 |
| 113 |
126 |
|
[FUC]K:4 |
1 |
1 |
281 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11423 |
2.1 |
-0.1 |
0.290 |
0 |
0 |
0 |
0.002 |
| 114 |
127 |
|
[NAG]J:2 |
1 |
1 |
363 |
f |
[GOL]X:801 |
x,y,z |
1_555 |
1 |
1 |
217 |
0.6 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
|