| ## |
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 |
50 |
13 |
2573 |
◊ |
C |
x,y,z |
1_555 |
53 |
14 |
2586 |
535.0 |
-9.6 |
0.805 |
4 |
4 |
0 |
1.000 |
2 |
|
H |
49 |
13 |
2588 |
◊ |
G |
x,y,z |
1_555 |
52 |
14 |
2560 |
524.1 |
-9.5 |
0.800 |
4 |
4 |
0 |
1.000 |
| Average: |
529.6 |
-9.6 |
0.803 |
4 |
4 |
0 |
1.000 |
| 2 |
3 |
|
F |
33 |
9 |
2541 |
◊ |
E |
x,y,z |
1_555 |
30 |
8 |
2560 |
325.5 |
-7.4 |
0.657 |
2 |
0 |
0 |
0.444 |
4 |
|
B |
32 |
9 |
2545 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
2561 |
318.1 |
-6.8 |
0.617 |
2 |
0 |
0 |
0.444 |
5 |
|
C |
31 |
10 |
2586 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
2545 |
293.9 |
-5.4 |
0.725 |
3 |
0 |
0 |
0.444 |
| Average: |
312.5 |
-6.6 |
0.666 |
2 |
0 |
0 |
0.444 |
| 3 |
6 |
|
G |
31 |
9 |
2560 |
◊ |
F |
x,y,z |
1_555 |
25 |
8 |
2541 |
299.1 |
-6.6 |
0.593 |
2 |
0 |
0 |
0.187 |
| 4 |
7 |
|
H |
30 |
9 |
2588 |
◊ |
E |
x,y,z |
1_555 |
29 |
10 |
2560 |
288.7 |
-7.0 |
0.581 |
1 |
0 |
0 |
0.189 |
8 |
|
D |
29 |
9 |
2573 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
2561 |
275.8 |
-5.3 |
0.733 |
2 |
0 |
0 |
0.189 |
| Average: |
282.3 |
-6.1 |
0.657 |
2 |
0 |
0 |
0.189 |
| 5 |
9 |
|
G |
20 |
7 |
2560 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
2561 |
262.7 |
-8.4 |
0.192 |
0 |
0 |
0 |
0.000 |
10 |
|
E |
19 |
6 |
2560 |
◊ |
C |
x,y,z-1 |
1_554 |
19 |
7 |
2586 |
254.3 |
-8.1 |
0.190 |
0 |
0 |
0 |
0.000 |
| Average: |
258.5 |
-8.2 |
0.191 |
0 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[BOG]E:702 |
15 |
1 |
520 |
f |
E |
x,y,z |
1_555 |
35 |
9 |
2560 |
199.4 |
2.1 |
0.381 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[BOG]A:302 |
18 |
1 |
520 |
◊ |
A |
x,y,z |
1_555 |
32 |
7 |
2561 |
194.2 |
1.7 |
0.174 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[BOG]G:703 |
17 |
1 |
530 |
◊ |
G |
x,y,z |
1_555 |
20 |
8 |
2560 |
188.0 |
2.8 |
0.318 |
1 |
0 |
0 |
0.000 |
14 |
|
[BOG]C:303 |
16 |
1 |
526 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
2586 |
179.2 |
2.5 |
0.340 |
0 |
0 |
0 |
0.000 |
| Average: |
183.6 |
2.7 |
0.329 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
G |
18 |
4 |
2560 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
17 |
4 |
2586 |
180.9 |
-1.3 |
0.881 |
3 |
0 |
0 |
0.000 |
| 10 |
16 |
|
F |
10 |
5 |
2541 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
18 |
5 |
2588 |
173.7 |
-5.5 |
0.248 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
14 |
4 |
2573 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
5 |
2545 |
162.2 |
-5.2 |
0.228 |
0 |
0 |
0 |
0.000 |
| Average: |
168.0 |
-5.4 |
0.238 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
H |
11 |
5 |
2588 |
◊ |
C |
x,y,z-1 |
1_554 |
19 |
5 |
2586 |
162.3 |
-3.5 |
0.377 |
0 |
0 |
0 |
0.000 |
19 |
|
G |
18 |
4 |
2560 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
2573 |
149.1 |
-3.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| Average: |
155.7 |
-3.4 |
0.412 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[BOG]G:701 |
15 |
1 |
522 |
◊ |
F |
x,y,z |
1_555 |
20 |
5 |
2541 |
158.7 |
1.8 |
0.321 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[BOG]B:301 |
12 |
1 |
515 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
2545 |
158.4 |
2.6 |
0.462 |
1 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[BOG]E:702 |
15 |
1 |
520 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
2588 |
154.3 |
1.5 |
0.270 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[BOG]A:302 |
13 |
1 |
520 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
2573 |
153.9 |
2.2 |
0.378 |
1 |
0 |
0 |
0.000 |
| 16 |
24 |
|
F |
17 |
4 |
2541 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
13 |
5 |
2560 |
153.3 |
-3.8 |
0.366 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
12 |
5 |
2586 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
19 |
4 |
2545 |
153.1 |
-3.8 |
0.342 |
0 |
0 |
0 |
0.000 |
| Average: |
153.2 |
-3.8 |
0.354 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
E |
15 |
5 |
2560 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
4 |
2573 |
150.2 |
-3.3 |
0.610 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
18 |
4 |
2588 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
2561 |
144.3 |
-3.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| Average: |
147.3 |
-3.2 |
0.610 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[BOG]G:701 |
15 |
1 |
522 |
f |
G |
x,y,z |
1_555 |
17 |
3 |
2560 |
142.7 |
-0.3 |
0.098 |
1 |
0 |
0 |
0.074 |
| 19 |
29 |
|
[BOG]B:301 |
13 |
1 |
515 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
2586 |
138.9 |
1.9 |
0.357 |
0 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[BOG]C:303 |
11 |
1 |
526 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
11 |
4 |
2545 |
110.8 |
2.4 |
0.387 |
1 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[PEG]B:402 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
23 |
4 |
2545 |
109.0 |
3.6 |
0.495 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
F |
11 |
4 |
2541 |
◊ |
[BOG]G:703 |
-x,y-1/2,-z-1 |
2_544 |
12 |
1 |
530 |
107.4 |
2.0 |
0.286 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[PEG]E:802 |
6 |
1 |
260 |
◊ |
F |
x,y,z |
1_555 |
15 |
3 |
2541 |
87.8 |
1.9 |
0.465 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[PEG]A:803 |
6 |
1 |
261 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
2541 |
73.8 |
-0.1 |
0.220 |
0 |
0 |
0 |
0.003 |
| 25 |
35 |
|
H |
7 |
2 |
2588 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
2573 |
72.2 |
1.6 |
0.892 |
2 |
4 |
0 |
0.000 |
36 |
|
H |
8 |
3 |
2588 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
2 |
2573 |
71.2 |
1.6 |
0.895 |
2 |
4 |
0 |
0.000 |
| Average: |
71.7 |
1.6 |
0.894 |
2 |
4 |
0 |
0.000 |
| 26 |
37 |
|
[PEG]A:803 |
6 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
2561 |
71.5 |
1.3 |
0.354 |
1 |
0 |
0 |
0.000 |
| 27 |
38 |
|
C |
5 |
2 |
2586 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
2561 |
69.7 |
1.3 |
0.919 |
4 |
2 |
0 |
0.000 |
| 28 |
39 |
|
[PEG]B:402 |
6 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
2561 |
68.0 |
-0.6 |
0.161 |
1 |
0 |
0 |
0.165 |
| 29 |
40 |
|
E |
9 |
2 |
2560 |
◊ |
[PEG]B:403 |
x,y,z-1 |
1_554 |
6 |
1 |
256 |
67.0 |
1.9 |
0.370 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
[PEG]A:401 |
4 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
2561 |
65.5 |
0.7 |
0.403 |
0 |
0 |
0 |
0.000 |
| 31 |
42 |
|
D |
4 |
1 |
2573 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
2561 |
63.2 |
0.5 |
0.909 |
2 |
1 |
0 |
0.000 |
| 32 |
43 |
|
[PEG]B:403 |
5 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
2545 |
62.4 |
0.6 |
0.314 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[NH2]E:47 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
5 |
4 |
2560 |
56.1 |
0.8 |
0.880 |
0 |
0 |
0 |
0.000 |
45 |
|
[NH2]G:47 |
1 |
1 |
117 |
cf |
G |
x,y,z |
1_555 |
6 |
4 |
2560 |
52.9 |
0.7 |
0.889 |
0 |
0 |
0 |
0.000 |
46 |
|
[NH2]C:47 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
2586 |
51.7 |
0.6 |
0.894 |
0 |
0 |
0 |
0.000 |
47 |
|
[NH2]A:47 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
2561 |
47.2 |
0.6 |
0.906 |
0 |
0 |
0 |
0.000 |
48 |
|
[NH2]F:47 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
5 |
4 |
2541 |
43.1 |
0.5 |
0.886 |
0 |
0 |
0 |
0.000 |
49 |
|
[NH2]B:47 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
2545 |
42.2 |
0.4 |
0.898 |
0 |
0 |
0 |
0.000 |
| Average: |
48.9 |
0.6 |
0.892 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
[PEG]E:801 |
7 |
1 |
261 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
3 |
2573 |
56.0 |
0.4 |
0.171 |
0 |
0 |
0 |
0.000 |
| 35 |
51 |
|
[NH2]D:47 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
7 |
4 |
2573 |
55.6 |
0.6 |
0.899 |
0 |
0 |
0 |
0.000 |
52 |
|
[NH2]H:47 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
7 |
4 |
2588 |
55.4 |
0.6 |
0.892 |
0 |
0 |
0 |
0.000 |
| Average: |
55.5 |
0.6 |
0.895 |
0 |
0 |
0 |
0.000 |
| 36 |
53 |
|
[BOG]G:703 |
3 |
1 |
530 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2561 |
53.8 |
1.2 |
0.544 |
0 |
0 |
0 |
0.000 |
| 37 |
54 |
|
[PEG]E:802 |
6 |
1 |
260 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
2560 |
53.6 |
-0.3 |
0.186 |
1 |
0 |
0 |
0.019 |
| 38 |
55 |
|
E |
4 |
2 |
2560 |
f |
[BOG]C:303 |
x,y,z-1 |
1_554 |
5 |
1 |
526 |
48.9 |
1.0 |
0.410 |
0 |
0 |
0 |
0.000 |
| 39 |
56 |
|
[PEG]A:401 |
5 |
1 |
262 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
2588 |
48.9 |
0.4 |
0.261 |
0 |
0 |
0 |
0.000 |
| 40 |
57 |
|
[PEG]E:801 |
3 |
1 |
261 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
2560 |
45.1 |
-0.5 |
0.266 |
0 |
0 |
0 |
0.012 |
| 41 |
58 |
|
[BOG]C:303 |
7 |
1 |
526 |
◊ |
[NH2]B:47 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
117 |
40.0 |
1.2 |
0.290 |
0 |
0 |
0 |
0.000 |
59 |
|
[NH2]F:47 |
1 |
1 |
117 |
◊ |
[BOG]G:703 |
-x,y-1/2,-z-1 |
2_544 |
7 |
1 |
530 |
38.4 |
0.9 |
0.227 |
0 |
0 |
0 |
0.000 |
| Average: |
39.2 |
1.1 |
0.259 |
0 |
0 |
0 |
0.000 |
| 42 |
60 |
|
[BOG]B:301 |
3 |
1 |
515 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
2573 |
34.8 |
0.4 |
0.424 |
1 |
0 |
0 |
0.005 |
| 43 |
61 |
|
E |
4 |
1 |
2560 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
2545 |
33.4 |
-1.1 |
0.484 |
0 |
0 |
0 |
0.000 |
62 |
|
F |
3 |
1 |
2541 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2561 |
32.8 |
-1.0 |
0.430 |
0 |
0 |
0 |
0.000 |
| Average: |
33.1 |
-1.1 |
0.457 |
0 |
0 |
0 |
0.000 |
| 44 |
63 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
2573 |
32.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.397 |
64 |
|
[CL]E:501 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
2560 |
31.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.397 |
65 |
|
[CL]E:501 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
2588 |
31.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.397 |
66 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
2586 |
31.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.397 |
67 |
|
[CL]E:501 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
2541 |
30.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.397 |
68 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
2545 |
30.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.397 |
69 |
|
[CL]E:501 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
2560 |
29.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.397 |
70 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
2561 |
29.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.397 |
| Average: |
30.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.397 |
| 45 |
71 |
|
[PEG]E:801 |
2 |
1 |
261 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
4 |
2 |
2545 |
29.7 |
0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
[PEG]B:402 |
3 |
1 |
261 |
◊ |
[BOG]B:301 |
x,y,z |
1_555 |
4 |
1 |
515 |
28.5 |
0.7 |
0.095 |
0 |
0 |
0 |
0.000 |
| 47 |
73 |
|
[BOG]C:303 |
3 |
1 |
526 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
2561 |
28.5 |
0.8 |
0.404 |
1 |
0 |
0 |
0.000 |
| 48 |
74 |
|
[PEG]E:802 |
4 |
1 |
260 |
f |
[BOG]E:702 |
x,y,z |
1_555 |
4 |
1 |
520 |
28.1 |
0.1 |
0.100 |
1 |
0 |
0 |
0.008 |
| 49 |
75 |
|
H |
4 |
1 |
2588 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
2560 |
27.7 |
0.5 |
0.899 |
0 |
1 |
0 |
0.000 |
| 50 |
76 |
|
[NH2]E:47 |
1 |
1 |
117 |
◊ |
[PEG]B:403 |
x,y,z-1 |
1_554 |
4 |
1 |
256 |
27.7 |
1.1 |
0.326 |
0 |
0 |
0 |
0.000 |
| 51 |
77 |
|
[NH2]G:47 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
2573 |
25.9 |
-0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
78 |
|
H |
2 |
1 |
2588 |
◊ |
[NH2]C:47 |
x,y,z-1 |
1_554 |
1 |
1 |
117 |
24.0 |
-0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
79 |
|
E |
6 |
2 |
2560 |
◊ |
[NH2]D:47 |
x,y,z-1 |
1_554 |
1 |
1 |
117 |
22.7 |
-0.1 |
0.861 |
0 |
0 |
0 |
0.000 |
80 |
|
C |
3 |
1 |
2586 |
◊ |
[NH2]B:47 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
117 |
19.3 |
-0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
| 52 |
81 |
|
D |
3 |
1 |
2573 |
◊ |
[NH2]A:47 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
25.6 |
0.4 |
0.929 |
0 |
0 |
0 |
0.000 |
| 53 |
82 |
|
[PEG]E:801 |
5 |
1 |
261 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
2586 |
25.0 |
0.3 |
0.205 |
0 |
0 |
0 |
0.000 |
| 54 |
83 |
|
[NH2]H:47 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
2561 |
24.5 |
-0.1 |
0.849 |
0 |
0 |
0 |
0.000 |
84 |
|
[NH2]F:47 |
1 |
1 |
117 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
2560 |
19.0 |
-0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| Average: |
21.7 |
-0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
| 55 |
85 |
|
[PEG]A:803 |
4 |
1 |
261 |
◊ |
[NH2]A:47 |
x,y,z |
1_555 |
1 |
1 |
117 |
23.8 |
1.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| 56 |
86 |
|
F |
5 |
2 |
2541 |
◊ |
[PEG]A:401 |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
262 |
21.8 |
0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
| 57 |
87 |
|
H |
3 |
1 |
2588 |
x |
H |
x-1,y,z |
1_455 |
3 |
1 |
2588 |
21.7 |
0.4 |
0.878 |
0 |
1 |
0 |
0.000 |
| 58 |
88 |
|
G |
3 |
1 |
2560 |
◊ |
[NH2]C:47 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
117 |
18.6 |
0.7 |
0.965 |
0 |
0 |
0 |
0.000 |
89 |
|
[NH2]G:47 |
1 |
1 |
117 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
2586 |
12.2 |
0.5 |
0.948 |
0 |
0 |
0 |
0.000 |
| Average: |
15.4 |
0.6 |
0.957 |
0 |
0 |
0 |
0.000 |
| 59 |
90 |
|
[PEG]A:401 |
5 |
1 |
262 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
2560 |
18.3 |
0.2 |
0.220 |
0 |
0 |
0 |
0.000 |
| 60 |
91 |
|
A |
4 |
2 |
2561 |
f |
[BOG]G:703 |
x-1,y,z |
1_455 |
4 |
1 |
530 |
17.7 |
-0.2 |
0.216 |
0 |
0 |
0 |
0.032 |
| 61 |
92 |
|
[PEG]A:401 |
2 |
1 |
262 |
◊ |
[BOG]G:703 |
x,y,z |
1_555 |
1 |
1 |
530 |
14.9 |
1.0 |
0.383 |
0 |
0 |
0 |
0.000 |
| 62 |
93 |
|
C |
2 |
2 |
2586 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
2561 |
14.6 |
-0.2 |
0.594 |
0 |
0 |
0 |
0.007 |
94 |
|
G |
1 |
1 |
2560 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
2560 |
9.3 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.007 |
| Average: |
11.9 |
-0.2 |
0.474 |
0 |
0 |
0 |
0.007 |
| 63 |
95 |
|
[BOG]C:303 |
2 |
1 |
526 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2545 |
14.5 |
0.3 |
0.430 |
0 |
0 |
0 |
0.000 |
| 64 |
96 |
|
B |
2 |
1 |
2545 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
2561 |
13.9 |
0.4 |
0.869 |
0 |
0 |
0 |
0.000 |
| 65 |
97 |
|
[PEG]E:802 |
2 |
1 |
260 |
◊ |
[BOG]G:701 |
x,y,z |
1_555 |
2 |
1 |
522 |
12.4 |
0.5 |
0.248 |
0 |
0 |
0 |
0.000 |
| 66 |
98 |
|
D |
2 |
2 |
2573 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
2545 |
12.3 |
-0.3 |
0.527 |
0 |
0 |
0 |
0.010 |
99 |
|
H |
1 |
1 |
2588 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
2541 |
10.4 |
-0.3 |
0.417 |
0 |
0 |
0 |
0.010 |
| Average: |
11.4 |
-0.3 |
0.472 |
0 |
0 |
0 |
0.010 |
| 67 |
100 |
|
[BOG]G:703 |
1 |
1 |
530 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
2541 |
11.4 |
0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
| 68 |
101 |
|
A |
1 |
1 |
2561 |
◊ |
[PEG]A:803 |
x-1,y,z |
1_455 |
2 |
1 |
261 |
8.6 |
0.4 |
0.423 |
0 |
0 |
0 |
0.000 |
| 69 |
102 |
|
[BOG]G:701 |
5 |
1 |
522 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
2 |
2 |
2588 |
7.7 |
0.1 |
0.220 |
0 |
0 |
0 |
0.000 |
| 70 |
103 |
|
[BOG]G:701 |
1 |
1 |
522 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
2588 |
7.2 |
0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
| 71 |
104 |
|
[PEG]E:801 |
3 |
1 |
261 |
f |
[BOG]C:303 |
x,y,z-1 |
1_554 |
1 |
1 |
526 |
6.3 |
0.3 |
0.227 |
0 |
0 |
0 |
0.000 |
| 72 |
105 |
|
E |
1 |
1 |
2560 |
x |
E |
x-1,y,z |
1_455 |
1 |
1 |
2560 |
3.1 |
0.2 |
0.869 |
0 |
0 |
0 |
0.000 |
| 73 |
106 |
|
[NH2]H:47 |
1 |
1 |
117 |
◊ |
[BOG]G:703 |
x-1,y,z |
1_455 |
1 |
1 |
530 |
2.9 |
0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 74 |
107 |
|
D |
1 |
1 |
2573 |
◊ |
[BOG]B:301 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
515 |
1.4 |
0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
| 75 |
108 |
|
A |
1 |
1 |
2561 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
2561 |
1.3 |
0.0 |
0.831 |
0 |
0 |
0 |
0.000 |
| 76 |
109 |
|
D |
1 |
1 |
2573 |
◊ |
[PEG]A:803 |
x-1,y,z |
1_455 |
1 |
1 |
261 |
0.7 |
0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| 77 |
110 |
|
[BOG]A:302 |
1 |
1 |
520 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
2545 |
0.6 |
0.0 |
0.446 |
0 |
0 |
0 |
0.000 |
|