## |
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 |
288 |
72 |
12787 |
◊ |
A |
x,y,z |
1_555 |
262 |
66 |
17142 |
2702.1 |
-37.3 |
0.013 |
35 |
4 |
1 |
1.000 |
2 |
|
H |
282 |
72 |
12571 |
◊ |
G |
x,y,z |
1_555 |
251 |
64 |
16678 |
2617.0 |
-38.7 |
0.013 |
34 |
2 |
1 |
1.000 |
3 |
|
F |
282 |
73 |
12846 |
◊ |
E |
x,y,z |
1_555 |
246 |
63 |
16677 |
2585.4 |
-39.5 |
0.007 |
33 |
2 |
1 |
1.000 |
4 |
|
D |
288 |
73 |
12599 |
◊ |
C |
x,y,z |
1_555 |
253 |
64 |
16453 |
2579.0 |
-40.1 |
0.007 |
34 |
3 |
1 |
1.000 |
Average: |
2620.9 |
-38.9 |
0.010 |
34 |
3 |
1 |
1.000 |
2 |
5 |
|
D |
141 |
36 |
12599 |
x |
D |
-y+1,x-y+1,z |
2_665 |
140 |
39 |
12599 |
1412.6 |
-8.0 |
0.471 |
12 |
11 |
0 |
1.000 |
6 |
|
H |
151 |
44 |
12571 |
x |
H |
-y,x-y,z |
2_555 |
153 |
37 |
12571 |
1412.1 |
-8.2 |
0.568 |
10 |
6 |
0 |
1.000 |
7 |
|
B |
144 |
42 |
12787 |
x |
B |
-y+1,x-y,z |
2_655 |
149 |
36 |
12787 |
1395.5 |
-9.7 |
0.456 |
9 |
6 |
0 |
1.000 |
8 |
|
F |
136 |
37 |
12846 |
x |
F |
-y+1,x-y,z |
2_655 |
140 |
41 |
12846 |
1343.1 |
-7.0 |
0.551 |
13 |
11 |
0 |
1.000 |
Average: |
1390.8 |
-8.3 |
0.512 |
11 |
9 |
0 |
1.000 |
3 |
9 |
|
A |
50 |
15 |
17142 |
x |
A |
-y+1,x-y,z |
2_655 |
44 |
15 |
17142 |
432.5 |
3.0 |
0.800 |
11 |
0 |
0 |
0.056 |
10 |
|
E |
47 |
13 |
16677 |
x |
E |
-y+1,x-y,z |
2_655 |
47 |
14 |
16677 |
429.1 |
1.0 |
0.597 |
9 |
0 |
0 |
0.056 |
11 |
|
G |
50 |
14 |
16678 |
x |
G |
-y,x-y,z |
2_555 |
47 |
14 |
16678 |
423.0 |
0.4 |
0.507 |
10 |
0 |
0 |
0.056 |
12 |
|
C |
42 |
12 |
16453 |
x |
C |
-y+1,x-y+1,z |
2_665 |
48 |
15 |
16453 |
418.1 |
2.4 |
0.822 |
11 |
0 |
0 |
0.056 |
Average: |
425.7 |
1.7 |
0.681 |
10 |
0 |
0 |
0.056 |
4 |
13 |
|
H |
44 |
15 |
12571 |
◊ |
D |
x,y,z |
1_555 |
44 |
14 |
12599 |
399.3 |
0.6 |
0.777 |
7 |
2 |
0 |
0.000 |
14 |
|
F |
43 |
15 |
12846 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
40 |
14 |
12787 |
374.5 |
-0.2 |
0.718 |
5 |
1 |
0 |
0.000 |
Average: |
386.9 |
0.2 |
0.747 |
6 |
2 |
0 |
0.000 |
5 |
15 |
|
F |
43 |
12 |
12846 |
◊ |
E |
-y+1,x-y,z |
2_655 |
45 |
12 |
16677 |
372.3 |
-3.6 |
0.338 |
6 |
3 |
0 |
0.099 |
16 |
|
G |
40 |
13 |
16678 |
◊ |
H |
-y,x-y,z |
2_555 |
39 |
10 |
12571 |
347.8 |
-3.3 |
0.385 |
7 |
2 |
0 |
0.099 |
17 |
|
D |
41 |
11 |
12599 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
44 |
13 |
16453 |
346.6 |
-3.8 |
0.335 |
6 |
2 |
0 |
0.099 |
18 |
|
A |
38 |
14 |
17142 |
◊ |
B |
-y+1,x-y,z |
2_655 |
37 |
9 |
12787 |
339.0 |
-3.3 |
0.338 |
5 |
3 |
0 |
0.099 |
Average: |
351.4 |
-3.5 |
0.349 |
6 |
3 |
0 |
0.099 |
6 |
19 |
|
C |
39 |
11 |
16453 |
◊ |
A |
-y,x-y,z |
2_555 |
40 |
12 |
17142 |
345.6 |
3.7 |
0.875 |
6 |
3 |
0 |
0.000 |
7 |
20 |
|
E |
30 |
7 |
16677 |
◊ |
F |
-y+1,x-y,z |
2_655 |
50 |
15 |
12846 |
322.2 |
-5.2 |
0.102 |
1 |
0 |
0 |
0.082 |
21 |
|
B |
45 |
15 |
12787 |
◊ |
A |
-y+1,x-y,z |
2_655 |
30 |
6 |
17142 |
315.9 |
-3.8 |
0.154 |
2 |
0 |
0 |
0.082 |
22 |
|
C |
29 |
7 |
16453 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
45 |
15 |
12599 |
299.2 |
-5.2 |
0.084 |
1 |
0 |
0 |
0.082 |
23 |
|
H |
47 |
14 |
12571 |
◊ |
G |
-y,x-y,z |
2_555 |
29 |
7 |
16678 |
292.1 |
-5.0 |
0.128 |
1 |
0 |
0 |
0.082 |
Average: |
307.4 |
-4.8 |
0.117 |
1 |
0 |
0 |
0.082 |
8 |
24 |
|
G |
30 |
9 |
16678 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
30 |
10 |
16453 |
302.1 |
-2.8 |
0.338 |
3 |
0 |
0 |
0.027 |
25 |
|
E |
30 |
9 |
16677 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
17142 |
300.7 |
-2.8 |
0.323 |
4 |
0 |
0 |
0.027 |
Average: |
301.4 |
-2.8 |
0.330 |
4 |
0 |
0 |
0.027 |
9 |
26 |
|
G |
12 |
5 |
16678 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
20 |
6 |
12787 |
186.7 |
0.4 |
0.702 |
3 |
2 |
0 |
0.000 |
27 |
|
D |
16 |
6 |
12599 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
16677 |
112.8 |
0.7 |
0.739 |
3 |
1 |
0 |
0.000 |
Average: |
149.7 |
0.5 |
0.721 |
3 |
2 |
0 |
0.000 |
10 |
28 |
|
[NAG]G:403 |
11 |
1 |
363 |
cf |
G |
x,y,z |
1_555 |
23 |
7 |
16678 |
156.3 |
4.6 |
0.524 |
0 |
0 |
0 |
0.000 |
11 |
29 |
|
[NAG]E:403 |
12 |
1 |
368 |
cf |
E |
x,y,z |
1_555 |
14 |
5 |
16677 |
138.8 |
3.9 |
0.291 |
2 |
0 |
0 |
0.000 |
12 |
30 |
|
G |
18 |
6 |
16678 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
12 |
3 |
17142 |
134.2 |
-2.7 |
0.181 |
0 |
0 |
0 |
0.000 |
31 |
|
E |
12 |
5 |
16677 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
16453 |
82.4 |
-0.7 |
0.394 |
0 |
0 |
0 |
0.000 |
Average: |
108.3 |
-1.7 |
0.287 |
0 |
0 |
0 |
0.000 |
13 |
32 |
|
[NAG]A:406 |
9 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
17142 |
132.7 |
4.2 |
0.554 |
1 |
0 |
0 |
0.000 |
14 |
33 |
|
[NAG]C:401 |
12 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
14 |
5 |
16453 |
129.8 |
4.0 |
0.402 |
2 |
0 |
0 |
0.000 |
34 |
|
[NAG]A:401 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
17142 |
116.2 |
4.0 |
0.473 |
1 |
0 |
0 |
0.000 |
Average: |
123.0 |
4.0 |
0.438 |
2 |
0 |
0 |
0.000 |
15 |
35 |
|
[NAG]G:401 |
13 |
1 |
359 |
cf |
G |
x,y,z |
1_555 |
12 |
5 |
16678 |
128.4 |
4.2 |
0.385 |
2 |
0 |
0 |
0.000 |
16 |
36 |
|
[NAG]C:406 |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
18 |
6 |
16453 |
120.8 |
2.8 |
0.348 |
1 |
0 |
0 |
0.000 |
17 |
37 |
|
[NAG]E:401 |
13 |
1 |
362 |
cf |
E |
x,y,z |
1_555 |
13 |
5 |
16677 |
118.5 |
3.8 |
0.376 |
1 |
0 |
0 |
0.000 |
18 |
38 |
|
[MAN]A:404 |
9 |
1 |
288 |
◊ |
C |
-y+1,x-y,z |
2_655 |
15 |
6 |
16453 |
114.5 |
2.5 |
0.398 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
17 |
6 |
17142 |
◊ |
[MAN]C:404 |
-y+1,x-y+1,z |
2_665 |
8 |
1 |
290 |
104.6 |
2.3 |
0.405 |
1 |
0 |
0 |
0.000 |
Average: |
109.5 |
2.4 |
0.401 |
1 |
0 |
0 |
0.000 |
19 |
40 |
|
[NAG]E:404 |
9 |
1 |
360 |
f |
E |
x,y,z |
1_555 |
15 |
4 |
16677 |
105.7 |
2.5 |
0.391 |
0 |
0 |
0 |
0.000 |
20 |
41 |
|
[MAN]A:403 |
9 |
1 |
293 |
◊ |
C |
-y+1,x-y,z |
2_655 |
12 |
6 |
16453 |
91.4 |
0.8 |
0.222 |
1 |
0 |
0 |
0.000 |
42 |
|
A |
11 |
6 |
17142 |
◊ |
[MAN]C:403 |
-y+1,x-y+1,z |
2_665 |
8 |
1 |
290 |
85.4 |
1.2 |
0.261 |
0 |
0 |
0 |
0.000 |
Average: |
88.4 |
1.0 |
0.241 |
1 |
0 |
0 |
0.000 |
21 |
43 |
|
[NAG]C:407 |
9 |
1 |
365 |
cf |
[NAG]C:406 |
x,y,z |
1_555 |
8 |
1 |
362 |
76.0 |
1.6 |
0.054 |
0 |
0 |
0 |
0.000 |
22 |
44 |
|
[NAG]A:407 |
9 |
1 |
359 |
cf |
[NAG]A:406 |
x,y,z |
1_555 |
8 |
1 |
366 |
73.7 |
1.7 |
0.081 |
0 |
0 |
0 |
0.000 |
23 |
45 |
|
[PO4]G:406 |
5 |
1 |
190 |
f |
[PO4]C:409 |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
5 |
1 |
189 |
72.6 |
-6.2 |
0.967 |
0 |
0 |
0 |
0.100 |
24 |
46 |
|
[MAN]A:405 |
6 |
1 |
289 |
◊ |
C |
-y+1,x-y,z |
2_655 |
9 |
4 |
16453 |
71.4 |
0.9 |
0.325 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
9 |
4 |
17142 |
◊ |
[MAN]C:405 |
-y+1,x-y+1,z |
2_665 |
7 |
1 |
292 |
70.6 |
0.8 |
0.283 |
0 |
0 |
0 |
0.000 |
Average: |
71.0 |
0.8 |
0.304 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[PO4]A:409 |
5 |
1 |
188 |
f |
[PO4]E:406 |
-y+1,x-y,z |
2_655 |
5 |
1 |
188 |
71.0 |
-6.2 |
0.967 |
0 |
0 |
0 |
1.000 |
26 |
49 |
|
[NAG]G:402 |
9 |
1 |
365 |
cf |
[NAG]G:401 |
x,y,z |
1_555 |
5 |
1 |
359 |
69.9 |
1.6 |
0.109 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
[NAG]G:404 |
7 |
1 |
365 |
cf |
[NAG]G:403 |
x,y,z |
1_555 |
6 |
1 |
363 |
69.2 |
1.7 |
0.123 |
1 |
0 |
0 |
0.000 |
28 |
51 |
|
[NAG]E:402 |
8 |
1 |
361 |
cf |
[NAG]E:401 |
x,y,z |
1_555 |
6 |
1 |
362 |
68.3 |
1.1 |
0.091 |
1 |
0 |
0 |
0.000 |
29 |
52 |
|
[NAG]C:402 |
10 |
1 |
352 |
cf |
[NAG]C:401 |
x,y,z |
1_555 |
5 |
1 |
358 |
67.9 |
1.5 |
0.074 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAG]A:402 |
8 |
1 |
348 |
cf |
[NAG]A:401 |
x,y,z |
1_555 |
6 |
1 |
361 |
67.0 |
1.5 |
0.092 |
0 |
0 |
0 |
0.000 |
Average: |
67.4 |
1.5 |
0.083 |
0 |
0 |
0 |
0.000 |
30 |
54 |
|
[NAG]E:404 |
8 |
1 |
360 |
cf |
[NAG]E:403 |
x,y,z |
1_555 |
4 |
1 |
368 |
66.1 |
1.3 |
0.124 |
0 |
0 |
0 |
0.000 |
31 |
55 |
|
[NAG]G:405 |
7 |
1 |
361 |
cf |
G |
x,y,z |
1_555 |
7 |
2 |
16678 |
62.7 |
1.7 |
0.341 |
0 |
0 |
0 |
0.000 |
32 |
56 |
|
[MAN]A:403 |
7 |
1 |
293 |
cf |
[NAG]A:402 |
x,y,z |
1_555 |
8 |
1 |
348 |
62.0 |
1.8 |
0.077 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[MAN]C:403 |
6 |
1 |
290 |
cf |
[NAG]C:402 |
x,y,z |
1_555 |
9 |
1 |
352 |
62.0 |
1.9 |
0.079 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[MAN]C:404 |
6 |
1 |
290 |
cf |
[MAN]C:403 |
x,y,z |
1_555 |
6 |
1 |
290 |
59.2 |
2.4 |
0.225 |
0 |
0 |
0 |
0.000 |
59 |
|
[MAN]A:404 |
6 |
1 |
288 |
cf |
[MAN]A:403 |
x,y,z |
1_555 |
5 |
1 |
293 |
58.4 |
2.5 |
0.304 |
0 |
0 |
0 |
0.000 |
Average: |
58.8 |
2.4 |
0.265 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[PO4]C:409 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
16453 |
59.0 |
-3.3 |
0.712 |
1 |
0 |
0 |
0.023 |
36 |
61 |
|
[NAG]C:408 |
8 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
16453 |
58.5 |
1.1 |
0.258 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]E:405 |
7 |
1 |
362 |
cf |
E |
x,y,z |
1_555 |
4 |
2 |
16677 |
52.6 |
1.5 |
0.287 |
0 |
0 |
0 |
0.000 |
Average: |
55.6 |
1.3 |
0.272 |
0 |
0 |
0 |
0.000 |
37 |
63 |
|
[PO4]A:409 |
4 |
1 |
188 |
◊ |
E |
-y+1,x-y,z |
2_655 |
8 |
5 |
16677 |
58.4 |
-3.4 |
0.690 |
2 |
0 |
0 |
1.000 |
38 |
64 |
|
[PO4]E:406 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
16677 |
57.7 |
-3.4 |
0.663 |
2 |
0 |
0 |
1.000 |
39 |
65 |
|
[MAN]C:405 |
6 |
1 |
292 |
cf |
[MAN]C:403 |
x,y,z |
1_555 |
4 |
1 |
290 |
56.1 |
2.1 |
0.301 |
0 |
0 |
0 |
0.000 |
66 |
|
[MAN]A:405 |
5 |
1 |
289 |
cf |
[MAN]A:403 |
x,y,z |
1_555 |
4 |
1 |
293 |
55.9 |
2.3 |
0.333 |
0 |
0 |
0 |
0.000 |
Average: |
56.0 |
2.2 |
0.317 |
0 |
0 |
0 |
0.000 |
40 |
67 |
|
[PO4]G:406 |
4 |
1 |
190 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
10 |
5 |
16453 |
56.1 |
-3.2 |
0.709 |
3 |
0 |
0 |
0.027 |
41 |
68 |
|
[NAG]A:408 |
7 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
4 |
1 |
17142 |
53.9 |
1.8 |
0.362 |
0 |
0 |
0 |
0.000 |
42 |
69 |
|
[NAG]G:404 |
8 |
1 |
365 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
16678 |
53.5 |
1.3 |
0.261 |
0 |
0 |
0 |
0.000 |
43 |
70 |
|
[PO4]G:406 |
5 |
1 |
190 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
16678 |
53.0 |
-3.0 |
0.682 |
2 |
0 |
0 |
0.024 |
44 |
71 |
|
[MAN]C:405 |
6 |
1 |
292 |
f |
[NAG]C:402 |
x,y,z |
1_555 |
7 |
1 |
352 |
52.8 |
1.7 |
0.135 |
0 |
0 |
0 |
0.000 |
72 |
|
[MAN]A:405 |
6 |
1 |
289 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
7 |
1 |
348 |
52.6 |
1.8 |
0.126 |
0 |
0 |
0 |
0.000 |
Average: |
52.7 |
1.8 |
0.131 |
0 |
0 |
0 |
0.000 |
45 |
73 |
|
G |
3 |
3 |
16678 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
3 |
3 |
16453 |
52.6 |
1.3 |
0.921 |
0 |
0 |
0 |
0.000 |
74 |
|
A |
4 |
3 |
17142 |
◊ |
E |
-y+1,x-y,z |
2_655 |
3 |
3 |
16677 |
51.9 |
1.0 |
0.870 |
0 |
0 |
0 |
0.000 |
Average: |
52.3 |
1.2 |
0.895 |
0 |
0 |
0 |
0.000 |
46 |
75 |
|
[PO4]F:201 |
5 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
12846 |
50.1 |
-3.2 |
0.616 |
0 |
0 |
0 |
0.128 |
47 |
76 |
|
[PO4]H:201 |
5 |
1 |
189 |
fx |
[PO4]H:201 |
-y,x-y,z |
2_555 |
5 |
1 |
189 |
49.9 |
-4.6 |
0.942 |
0 |
0 |
0 |
0.178 |
48 |
77 |
|
[NAG]C:406 |
4 |
1 |
362 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
16677 |
49.3 |
1.2 |
0.427 |
0 |
0 |
0 |
0.000 |
49 |
78 |
|
[PO4]A:409 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17142 |
49.1 |
-2.7 |
0.706 |
2 |
0 |
0 |
0.021 |
50 |
79 |
|
[PO4]B:201 |
5 |
1 |
189 |
f |
B |
-y+1,x-y,z |
2_655 |
11 |
4 |
12787 |
48.4 |
-3.4 |
0.662 |
0 |
0 |
0 |
0.138 |
51 |
80 |
|
[PO4]B:201 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
12787 |
48.1 |
-3.4 |
0.661 |
0 |
0 |
0 |
0.138 |
52 |
81 |
|
A |
6 |
2 |
17142 |
◊ |
[PO4]E:406 |
-y+1,x-y,z |
2_655 |
5 |
1 |
188 |
48.0 |
-2.7 |
0.677 |
3 |
0 |
0 |
0.024 |
53 |
82 |
|
B |
11 |
4 |
12787 |
◊ |
[PO4]B:201 |
-y+1,x-y,z |
2_655 |
5 |
1 |
189 |
47.9 |
-3.4 |
0.661 |
0 |
0 |
0 |
0.137 |
54 |
83 |
|
G |
6 |
3 |
16678 |
◊ |
[PO4]C:409 |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
5 |
1 |
189 |
45.7 |
-2.6 |
0.678 |
2 |
0 |
0 |
0.021 |
55 |
84 |
|
F |
16 |
5 |
12846 |
◊ |
[PO4]F:201 |
-y+1,x-y,z |
2_655 |
4 |
1 |
187 |
45.6 |
-2.9 |
0.622 |
0 |
0 |
0 |
0.116 |
56 |
85 |
|
[NAG]C:407 |
4 |
1 |
365 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
16453 |
42.9 |
0.3 |
0.264 |
0 |
0 |
0 |
0.000 |
57 |
86 |
|
[PO4]H:201 |
5 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
12571 |
42.7 |
-2.9 |
0.657 |
0 |
0 |
0 |
0.110 |
58 |
87 |
|
D |
11 |
3 |
12599 |
◊ |
[PO4]D:201 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
188 |
42.6 |
-2.4 |
0.628 |
0 |
0 |
0 |
0.094 |
59 |
88 |
|
[PO4]H:201 |
5 |
1 |
189 |
◊ |
H |
-y,x-y,z |
2_555 |
11 |
4 |
12571 |
41.6 |
-2.7 |
0.672 |
0 |
0 |
0 |
0.105 |
60 |
89 |
|
[PO4]D:201 |
5 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
12599 |
41.1 |
-2.2 |
0.623 |
0 |
0 |
0 |
0.087 |
61 |
90 |
|
[PO4]D:201 |
5 |
1 |
188 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
11 |
3 |
12599 |
40.5 |
-2.2 |
0.616 |
0 |
0 |
0 |
0.087 |
62 |
91 |
|
C |
5 |
4 |
16453 |
◊ |
A |
x,y,z |
1_555 |
6 |
5 |
17142 |
39.7 |
0.3 |
0.686 |
0 |
0 |
0 |
0.000 |
63 |
92 |
|
E |
6 |
2 |
16677 |
◊ |
[NAG]E:401 |
-y+1,x-y,z |
2_655 |
3 |
1 |
362 |
37.4 |
1.0 |
0.512 |
0 |
0 |
0 |
0.000 |
64 |
93 |
|
[NAG]A:401 |
2 |
1 |
361 |
◊ |
A |
-y+1,x-y,z |
2_655 |
6 |
2 |
17142 |
36.8 |
1.4 |
0.618 |
0 |
0 |
0 |
0.000 |
65 |
94 |
|
[PO4]D:201 |
5 |
1 |
188 |
fx |
[PO4]D:201 |
-y+1,x-y+1,z |
2_665 |
5 |
1 |
188 |
36.2 |
-3.5 |
0.942 |
0 |
0 |
0 |
0.137 |
66 |
95 |
|
[NAG]E:404 |
3 |
1 |
360 |
◊ |
F |
-y+1,x-y,z |
2_655 |
3 |
1 |
12846 |
35.9 |
2.1 |
0.569 |
1 |
0 |
0 |
0.000 |
67 |
96 |
|
H |
11 |
4 |
12571 |
◊ |
[PO4]H:201 |
-y,x-y,z |
2_555 |
5 |
1 |
189 |
35.1 |
-2.3 |
0.710 |
0 |
0 |
0 |
0.087 |
68 |
97 |
|
[PO4]F:201 |
5 |
1 |
187 |
fx |
[PO4]F:201 |
-y+1,x-y,z |
2_655 |
4 |
1 |
187 |
34.9 |
-3.2 |
0.983 |
0 |
0 |
0 |
0.130 |
69 |
98 |
|
C |
5 |
2 |
16453 |
◊ |
[NAG]C:401 |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
358 |
34.1 |
1.2 |
0.690 |
0 |
0 |
0 |
0.000 |
99 |
|
[NAG]G:401 |
2 |
1 |
359 |
◊ |
G |
-y,x-y,z |
2_555 |
5 |
2 |
16678 |
31.4 |
1.1 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
32.7 |
1.2 |
0.646 |
0 |
0 |
0 |
0.000 |
70 |
100 |
|
E |
5 |
3 |
16677 |
◊ |
D |
-y+1,x-y+1,z |
2_665 |
7 |
4 |
12599 |
30.8 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
101 |
|
G |
3 |
3 |
16678 |
◊ |
B |
x-1/3,y+1/3,z+1/3 |
4_455 |
5 |
3 |
12787 |
26.7 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
Average: |
28.8 |
0.3 |
0.700 |
0 |
0 |
0 |
0.000 |
71 |
102 |
|
[NAG]C:402 |
3 |
1 |
352 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
16453 |
29.8 |
0.9 |
0.479 |
1 |
0 |
0 |
0.000 |
72 |
103 |
|
[NAG]E:404 |
1 |
1 |
360 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
12846 |
27.4 |
1.2 |
0.791 |
0 |
0 |
0 |
0.000 |
73 |
104 |
|
G |
3 |
2 |
16678 |
◊ |
[NAG]A:406 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
3 |
1 |
366 |
27.2 |
0.4 |
0.407 |
0 |
0 |
0 |
0.000 |
74 |
105 |
|
[NAG]C:407 |
2 |
1 |
365 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
16677 |
26.1 |
0.9 |
0.650 |
0 |
0 |
0 |
0.000 |
75 |
106 |
|
E |
5 |
1 |
16677 |
◊ |
[NAG]E:402 |
-y+1,x-y,z |
2_655 |
3 |
1 |
361 |
20.3 |
0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
76 |
107 |
|
G |
3 |
1 |
16678 |
◊ |
[NAG]A:407 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
359 |
19.8 |
0.4 |
0.400 |
0 |
0 |
0 |
0.000 |
77 |
108 |
|
H |
1 |
1 |
12571 |
◊ |
[NAG]E:402 |
-y+1,x-y,z |
2_655 |
2 |
1 |
361 |
19.3 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
78 |
109 |
|
[PO4]F:201 |
4 |
1 |
187 |
◊ |
F |
-y+1,x-y,z |
2_655 |
6 |
3 |
12846 |
19.1 |
-1.1 |
0.744 |
0 |
0 |
0 |
0.043 |
79 |
110 |
|
F |
2 |
2 |
12846 |
◊ |
G |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
16678 |
18.1 |
0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
111 |
|
E |
2 |
1 |
16677 |
◊ |
H |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
12571 |
15.7 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
Average: |
16.9 |
0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
80 |
112 |
|
[NAG]G:402 |
3 |
1 |
365 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
16678 |
18.0 |
0.3 |
0.367 |
0 |
0 |
0 |
0.000 |
81 |
113 |
|
[NAG]A:407 |
3 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
17142 |
16.1 |
0.3 |
0.390 |
0 |
0 |
0 |
0.000 |
82 |
114 |
|
[NAG]G:405 |
1 |
1 |
361 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
12571 |
14.9 |
0.6 |
0.733 |
0 |
0 |
0 |
0.000 |
83 |
115 |
|
B |
2 |
2 |
12787 |
◊ |
[MAN]C:405 |
-y+1,x-y+1,z |
2_665 |
2 |
1 |
292 |
10.8 |
0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
116 |
|
[MAN]A:405 |
1 |
1 |
289 |
◊ |
D |
-y+1,x-y,z |
2_655 |
1 |
1 |
12599 |
0.1 |
0.0 |
0.353 |
0 |
0 |
0 |
0.000 |
Average: |
5.5 |
0.1 |
0.340 |
0 |
0 |
0 |
0.000 |
84 |
117 |
|
[NAG]E:402 |
4 |
1 |
361 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
16677 |
10.4 |
0.3 |
0.350 |
0 |
0 |
0 |
0.000 |
85 |
118 |
|
[MAN]C:404 |
2 |
1 |
290 |
f |
[NAG]C:402 |
x,y,z |
1_555 |
2 |
1 |
352 |
9.7 |
0.6 |
0.270 |
0 |
0 |
0 |
0.000 |
119 |
|
[MAN]A:404 |
2 |
1 |
288 |
f |
[NAG]A:402 |
x,y,z |
1_555 |
3 |
1 |
348 |
8.1 |
0.5 |
0.201 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
0.6 |
0.236 |
0 |
0 |
0 |
0.000 |
86 |
120 |
|
[NAG]E:403 |
2 |
1 |
368 |
◊ |
F |
-y+1,x-y,z |
2_655 |
2 |
1 |
12846 |
8.0 |
0.5 |
0.415 |
0 |
0 |
0 |
0.000 |
87 |
121 |
|
[NAG]A:402 |
1 |
1 |
348 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
17142 |
7.6 |
0.1 |
0.351 |
0 |
0 |
0 |
0.000 |
88 |
122 |
|
F |
1 |
1 |
12846 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
16678 |
1.6 |
0.0 |
0.723 |
0 |
0 |
0 |
0.000 |
89 |
123 |
|
[NAG]E:405 |
1 |
1 |
362 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
12787 |
1.4 |
0.1 |
0.324 |
0 |
0 |
0 |
0.000 |
90 |
124 |
|
[MAN]C:405 |
1 |
1 |
292 |
◊ |
B |
-y,x-y,z |
2_555 |
1 |
1 |
12787 |
0.8 |
0.0 |
0.358 |
0 |
0 |
0 |
0.000 |
91 |
125 |
|
[NAG]A:402 |
1 |
1 |
348 |
◊ |
A |
-y+1,x-y,z |
2_655 |
1 |
1 |
17142 |
0.2 |
0.0 |
0.364 |
0 |
0 |
0 |
0.000 |
|