## |
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 |
|
J |
88 |
26 |
6357 |
◊ |
I |
x,y,z |
1_555 |
87 |
28 |
10413 |
865.5 |
-10.8 |
0.191 |
12 |
3 |
0 |
0.498 |
2 |
|
B |
86 |
25 |
6382 |
◊ |
A |
x,y,z |
1_555 |
83 |
27 |
10172 |
855.9 |
-13.4 |
0.141 |
9 |
0 |
0 |
0.498 |
3 |
|
G |
83 |
23 |
6160 |
◊ |
F |
x,y,z |
1_555 |
81 |
27 |
9977 |
818.4 |
-11.4 |
0.264 |
11 |
3 |
0 |
0.498 |
4 |
|
P |
83 |
23 |
6241 |
◊ |
O |
x,y,z |
1_555 |
81 |
26 |
10094 |
818.2 |
-12.8 |
0.161 |
11 |
3 |
0 |
0.498 |
5 |
|
M |
74 |
24 |
6374 |
◊ |
L |
x,y,z |
1_555 |
72 |
24 |
10215 |
738.3 |
-9.3 |
0.296 |
9 |
0 |
0 |
0.498 |
6 |
|
S |
63 |
22 |
6182 |
◊ |
R |
x,y,z |
1_555 |
67 |
23 |
10290 |
657.2 |
-8.3 |
0.406 |
9 |
0 |
0 |
0.498 |
Average: |
792.2 |
-11.0 |
0.243 |
10 |
2 |
0 |
0.498 |
2 |
7 |
|
T |
72 |
17 |
5906 |
◊ |
R |
x,y,z |
1_555 |
70 |
18 |
10290 |
660.4 |
-2.1 |
0.630 |
11 |
3 |
0 |
0.135 |
8 |
|
K |
69 |
17 |
5925 |
◊ |
I |
x,y,z |
1_555 |
70 |
19 |
10413 |
632.3 |
-3.0 |
0.441 |
11 |
0 |
0 |
0.135 |
9 |
|
N |
72 |
18 |
6149 |
◊ |
L |
x,y,z |
1_555 |
71 |
19 |
10215 |
625.2 |
-2.8 |
0.561 |
12 |
0 |
0 |
0.135 |
10 |
|
C |
66 |
17 |
6025 |
◊ |
A |
x,y,z |
1_555 |
63 |
16 |
10172 |
613.4 |
-2.9 |
0.556 |
8 |
1 |
0 |
0.135 |
11 |
|
H |
65 |
18 |
6041 |
◊ |
F |
x,y,z |
1_555 |
65 |
18 |
9977 |
605.2 |
-2.5 |
0.538 |
10 |
0 |
0 |
0.135 |
12 |
|
Q |
62 |
17 |
5861 |
◊ |
O |
x,y,z |
1_555 |
63 |
16 |
10094 |
585.9 |
-3.0 |
0.495 |
11 |
0 |
0 |
0.135 |
Average: |
620.4 |
-2.7 |
0.537 |
11 |
1 |
0 |
0.135 |
3 |
13 |
|
L |
59 |
16 |
10215 |
◊ |
A |
x,y,z |
1_555 |
57 |
15 |
10172 |
517.7 |
-8.6 |
0.233 |
1 |
0 |
0 |
0.305 |
14 |
|
R |
60 |
17 |
10290 |
◊ |
I |
x,y,z |
1_555 |
57 |
16 |
10413 |
508.7 |
-6.9 |
0.281 |
2 |
1 |
0 |
0.305 |
15 |
|
O |
51 |
16 |
10094 |
◊ |
L |
x,y,z |
1_555 |
48 |
15 |
10215 |
491.3 |
-8.6 |
0.097 |
0 |
0 |
0 |
0.305 |
16 |
|
I |
50 |
14 |
10413 |
◊ |
F |
x,y,z |
1_555 |
55 |
14 |
9977 |
486.1 |
-7.6 |
0.155 |
3 |
2 |
0 |
0.305 |
17 |
|
O |
52 |
13 |
10094 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
10172 |
484.0 |
-7.6 |
0.265 |
2 |
2 |
0 |
0.305 |
18 |
|
R |
54 |
14 |
10290 |
◊ |
F |
x,y,z |
1_555 |
47 |
15 |
9977 |
380.8 |
-8.8 |
0.148 |
0 |
0 |
0 |
0.305 |
Average: |
478.1 |
-8.0 |
0.196 |
1 |
1 |
0 |
0.305 |
4 |
19 |
|
J |
45 |
13 |
6357 |
◊ |
M |
-x-1,y-1/2,-z+1/2 |
3_445 |
55 |
18 |
6374 |
439.9 |
-2.8 |
0.566 |
8 |
0 |
0 |
0.019 |
5 |
20 |
|
C |
42 |
13 |
6025 |
◊ |
J |
x,y,z |
1_555 |
44 |
15 |
6357 |
418.9 |
-0.9 |
0.601 |
3 |
0 |
0 |
0.055 |
21 |
|
N |
49 |
17 |
6149 |
◊ |
G |
x,y,z |
1_555 |
41 |
14 |
6160 |
413.2 |
-0.0 |
0.788 |
5 |
0 |
0 |
0.055 |
22 |
|
H |
49 |
14 |
6041 |
◊ |
M |
x,y,z |
1_555 |
44 |
16 |
6374 |
409.2 |
-1.9 |
0.577 |
6 |
0 |
0 |
0.055 |
23 |
|
K |
46 |
15 |
5925 |
◊ |
B |
x,y,z |
1_555 |
40 |
15 |
6382 |
385.3 |
-1.3 |
0.577 |
6 |
0 |
0 |
0.055 |
24 |
|
T |
43 |
15 |
5906 |
◊ |
P |
x,y,z |
1_555 |
36 |
11 |
6241 |
340.9 |
-1.1 |
0.663 |
5 |
0 |
0 |
0.055 |
25 |
|
Q |
37 |
13 |
5861 |
◊ |
S |
x,y,z |
1_555 |
38 |
15 |
6182 |
336.5 |
-1.9 |
0.659 |
3 |
0 |
0 |
0.055 |
Average: |
384.0 |
-1.2 |
0.644 |
5 |
0 |
0 |
0.055 |
6 |
26 |
|
[ATP]L:701 |
28 |
1 |
616 |
f |
L |
x,y,z |
1_555 |
36 |
11 |
10215 |
293.1 |
-3.4 |
0.597 |
15 |
0 |
0 |
0.335 |
27 |
|
[ATP]I:701 |
28 |
1 |
615 |
f |
I |
x,y,z |
1_555 |
36 |
11 |
10413 |
290.6 |
-2.7 |
0.555 |
17 |
0 |
0 |
0.335 |
28 |
|
[ATP]A:701 |
29 |
1 |
618 |
f |
A |
x,y,z |
1_555 |
37 |
11 |
10172 |
289.9 |
-3.6 |
0.614 |
15 |
0 |
0 |
0.335 |
29 |
|
[ATP]O:701 |
28 |
1 |
610 |
f |
O |
x,y,z |
1_555 |
38 |
12 |
10094 |
286.8 |
-2.9 |
0.586 |
13 |
0 |
0 |
0.335 |
30 |
|
[ATP]R:701 |
28 |
1 |
608 |
f |
R |
x,y,z |
1_555 |
37 |
12 |
10290 |
282.8 |
-2.8 |
0.581 |
14 |
0 |
0 |
0.335 |
31 |
|
[ATP]F:701 |
28 |
1 |
603 |
f |
F |
x,y,z |
1_555 |
39 |
13 |
9977 |
278.1 |
-3.9 |
0.561 |
9 |
0 |
0 |
0.335 |
Average: |
286.9 |
-3.2 |
0.582 |
14 |
0 |
0 |
0.335 |
7 |
32 |
|
Q |
29 |
11 |
5861 |
◊ |
K |
x,y,z |
1_555 |
26 |
8 |
5925 |
268.9 |
-1.9 |
0.494 |
2 |
0 |
0 |
0.028 |
33 |
|
H |
26 |
9 |
6041 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
6025 |
210.3 |
-2.9 |
0.320 |
1 |
0 |
0 |
0.028 |
34 |
|
T |
25 |
10 |
5906 |
◊ |
N |
x,y,z |
1_555 |
23 |
8 |
6149 |
206.7 |
-2.7 |
0.365 |
2 |
0 |
0 |
0.028 |
Average: |
228.7 |
-2.5 |
0.393 |
2 |
0 |
0 |
0.028 |
8 |
35 |
|
[SWE]I:703 |
22 |
1 |
466 |
◊ |
I |
x,y,z |
1_555 |
34 |
13 |
10413 |
267.9 |
2.7 |
0.559 |
2 |
0 |
0 |
0.000 |
9 |
36 |
|
[SWE]F:705 |
21 |
1 |
451 |
◊ |
F |
x,y,z |
1_555 |
35 |
12 |
9977 |
262.7 |
2.1 |
0.570 |
3 |
0 |
0 |
0.000 |
10 |
37 |
|
B |
23 |
6 |
6382 |
◊ |
O |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
8 |
10094 |
262.3 |
-2.2 |
0.506 |
2 |
0 |
0 |
0.000 |
11 |
38 |
|
[SWE]R:703 |
19 |
1 |
480 |
◊ |
R |
x,y,z |
1_555 |
30 |
13 |
10290 |
255.9 |
1.8 |
0.495 |
1 |
0 |
0 |
0.000 |
12 |
39 |
|
[SWE]O:705 |
20 |
1 |
476 |
f |
O |
x,y,z |
1_555 |
32 |
12 |
10094 |
254.0 |
1.6 |
0.531 |
2 |
0 |
0 |
0.012 |
40 |
|
[SWE]A:704 |
22 |
1 |
462 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
10172 |
253.8 |
2.2 |
0.520 |
6 |
0 |
0 |
0.012 |
Average: |
253.9 |
1.9 |
0.526 |
4 |
0 |
0 |
0.012 |
13 |
41 |
|
C |
29 |
11 |
6025 |
◊ |
M |
x,y,z |
1_555 |
24 |
8 |
6374 |
228.2 |
-1.9 |
0.514 |
3 |
0 |
0 |
0.035 |
42 |
|
K |
27 |
11 |
5925 |
◊ |
S |
x,y,z |
1_555 |
23 |
7 |
6182 |
225.7 |
-0.5 |
0.711 |
4 |
0 |
0 |
0.035 |
43 |
|
H |
22 |
9 |
6041 |
◊ |
J |
x,y,z |
1_555 |
18 |
5 |
6357 |
177.5 |
0.1 |
0.678 |
3 |
0 |
0 |
0.035 |
44 |
|
N |
21 |
9 |
6149 |
◊ |
P |
x,y,z |
1_555 |
17 |
5 |
6241 |
169.7 |
-1.3 |
0.497 |
2 |
0 |
0 |
0.035 |
45 |
|
T |
21 |
10 |
5906 |
◊ |
G |
x,y,z |
1_555 |
16 |
6 |
6160 |
161.3 |
-1.0 |
0.604 |
3 |
0 |
0 |
0.035 |
46 |
|
Q |
19 |
9 |
5861 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
6382 |
152.6 |
0.3 |
0.761 |
2 |
0 |
0 |
0.035 |
Average: |
185.8 |
-0.7 |
0.628 |
3 |
0 |
0 |
0.035 |
14 |
47 |
|
F |
26 |
6 |
9977 |
◊ |
N |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
6 |
6149 |
225.6 |
-2.3 |
0.368 |
2 |
0 |
0 |
0.009 |
15 |
48 |
|
B |
16 |
8 |
6382 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
23 |
8 |
6041 |
174.6 |
-1.7 |
0.390 |
1 |
0 |
0 |
0.006 |
16 |
49 |
|
C |
19 |
8 |
6025 |
◊ |
L |
x,y,z |
1_555 |
22 |
11 |
10215 |
168.5 |
-1.0 |
0.647 |
0 |
0 |
0 |
0.018 |
50 |
|
K |
18 |
6 |
5925 |
◊ |
R |
x,y,z |
1_555 |
22 |
9 |
10290 |
166.4 |
-0.8 |
0.645 |
0 |
0 |
0 |
0.018 |
51 |
|
Q |
16 |
5 |
5861 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
10172 |
145.2 |
-0.5 |
0.657 |
0 |
0 |
0 |
0.018 |
52 |
|
N |
16 |
5 |
6149 |
◊ |
O |
x,y,z |
1_555 |
18 |
6 |
10094 |
144.2 |
-0.8 |
0.591 |
1 |
0 |
0 |
0.018 |
53 |
|
T |
15 |
5 |
5906 |
◊ |
F |
x,y,z |
1_555 |
18 |
7 |
9977 |
126.0 |
-1.2 |
0.548 |
0 |
0 |
0 |
0.018 |
54 |
|
H |
14 |
5 |
6041 |
◊ |
I |
x,y,z |
1_555 |
14 |
6 |
10413 |
109.2 |
-0.9 |
0.452 |
0 |
0 |
0 |
0.018 |
Average: |
143.3 |
-0.9 |
0.590 |
0 |
0 |
0 |
0.018 |
17 |
55 |
|
B |
15 |
6 |
6382 |
◊ |
M |
-x-1,y-1/2,-z+1/2 |
3_445 |
20 |
8 |
6374 |
142.3 |
-1.4 |
0.517 |
3 |
0 |
0 |
0.000 |
18 |
56 |
|
[ATP]A:701 |
17 |
1 |
618 |
◊ |
Q |
x,y,z |
1_555 |
16 |
5 |
5861 |
138.1 |
0.9 |
0.778 |
2 |
0 |
0 |
0.000 |
57 |
|
[ATP]R:701 |
16 |
1 |
608 |
◊ |
K |
x,y,z |
1_555 |
17 |
5 |
5925 |
137.2 |
0.7 |
0.708 |
1 |
0 |
0 |
0.000 |
58 |
|
[ATP]O:701 |
15 |
1 |
610 |
◊ |
N |
x,y,z |
1_555 |
15 |
5 |
6149 |
112.7 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
59 |
|
[ATP]I:701 |
13 |
1 |
615 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
6041 |
111.0 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
60 |
|
[ATP]L:701 |
15 |
1 |
616 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
6025 |
108.6 |
1.0 |
0.766 |
0 |
0 |
0 |
0.000 |
Average: |
121.5 |
0.6 |
0.715 |
1 |
0 |
0 |
0.000 |
19 |
61 |
|
[ATP]F:701 |
18 |
1 |
603 |
◊ |
T |
x,y,z |
1_555 |
15 |
5 |
5906 |
124.4 |
1.7 |
0.805 |
1 |
0 |
0 |
0.000 |
20 |
62 |
|
[GOL]O:704 |
5 |
1 |
218 |
f |
L |
x,y,z |
1_555 |
15 |
5 |
10215 |
106.4 |
-0.7 |
0.530 |
1 |
0 |
0 |
0.034 |
21 |
63 |
|
L |
9 |
5 |
10215 |
◊ |
R |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
5 |
10290 |
85.2 |
0.5 |
0.836 |
0 |
0 |
0 |
0.000 |
22 |
64 |
|
[SWE]A:704 |
8 |
1 |
462 |
◊ |
L |
x,y,z |
1_555 |
11 |
5 |
10215 |
81.9 |
0.8 |
0.534 |
1 |
0 |
0 |
0.000 |
23 |
65 |
|
[SWE]R:703 |
8 |
1 |
480 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
9977 |
75.7 |
0.5 |
0.433 |
1 |
0 |
0 |
0.000 |
24 |
66 |
|
[SWE]I:703 |
9 |
1 |
466 |
f |
R |
x,y,z |
1_555 |
9 |
4 |
10290 |
74.9 |
0.3 |
0.406 |
1 |
0 |
0 |
0.005 |
25 |
67 |
|
[SWE]O:705 |
9 |
1 |
476 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10172 |
74.8 |
0.3 |
0.439 |
1 |
0 |
0 |
0.001 |
26 |
68 |
|
[SWE]F:705 |
8 |
1 |
451 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
10413 |
68.5 |
0.7 |
0.495 |
0 |
0 |
0 |
0.000 |
27 |
69 |
|
C |
5 |
1 |
6025 |
◊ |
I |
x,y,z |
1_555 |
10 |
4 |
10413 |
67.5 |
1.4 |
0.844 |
1 |
0 |
0 |
0.000 |
70 |
|
N |
5 |
1 |
6149 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
9977 |
51.9 |
0.5 |
0.792 |
0 |
0 |
0 |
0.000 |
71 |
|
K |
2 |
1 |
5925 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
10172 |
37.3 |
-0.4 |
0.264 |
0 |
0 |
0 |
0.000 |
72 |
|
T |
5 |
1 |
5906 |
◊ |
O |
x,y,z |
1_555 |
4 |
1 |
10094 |
23.1 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
73 |
|
Q |
1 |
1 |
5861 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
10290 |
1.8 |
-0.1 |
0.449 |
0 |
0 |
0 |
0.000 |
Average: |
36.3 |
0.3 |
0.584 |
0 |
0 |
0 |
0.000 |
28 |
74 |
|
G |
5 |
2 |
6160 |
◊ |
P |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
2 |
6241 |
63.5 |
-0.5 |
0.517 |
0 |
0 |
0 |
0.001 |
29 |
75 |
|
[GOL]T:201 |
3 |
1 |
220 |
f |
T |
x,y,z |
1_555 |
11 |
4 |
5906 |
59.1 |
-0.5 |
0.531 |
1 |
0 |
0 |
0.100 |
30 |
76 |
|
R |
9 |
2 |
10290 |
◊ |
Q |
x-1/2,-y-1/2,-z+1 |
4_446 |
6 |
2 |
5861 |
55.4 |
-0.8 |
0.486 |
0 |
0 |
0 |
0.002 |
31 |
77 |
|
[GOL]O:704 |
4 |
1 |
218 |
◊ |
O |
x,y,z |
1_555 |
8 |
3 |
10094 |
50.1 |
-0.1 |
0.602 |
1 |
0 |
0 |
0.006 |
32 |
78 |
|
[GOL]T:201 |
3 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
6160 |
42.2 |
0.3 |
0.626 |
2 |
0 |
0 |
0.003 |
33 |
79 |
|
M |
4 |
2 |
6374 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
6160 |
41.7 |
-0.7 |
0.334 |
0 |
0 |
0 |
0.003 |
80 |
|
J |
3 |
2 |
6357 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6382 |
21.0 |
-0.2 |
0.467 |
0 |
0 |
0 |
0.003 |
81 |
|
S |
3 |
2 |
6182 |
◊ |
P |
x,y,z |
1_555 |
3 |
2 |
6241 |
11.6 |
-0.2 |
0.523 |
0 |
0 |
0 |
0.003 |
Average: |
24.8 |
-0.4 |
0.441 |
0 |
0 |
0 |
0.003 |
34 |
82 |
|
[MG]O:702 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
8 |
4 |
10094 |
41.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.195 |
83 |
|
[MG]R:702 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
7 |
4 |
10290 |
41.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.195 |
84 |
|
[MG]L:702 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
10215 |
41.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.195 |
85 |
|
[MG]F:702 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
9977 |
40.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.195 |
86 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10172 |
39.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.195 |
87 |
|
[MG]I:702 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
10413 |
37.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
40.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.195 |
35 |
88 |
|
[ATP]L:701 |
3 |
1 |
616 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
10172 |
41.3 |
0.2 |
0.563 |
0 |
0 |
0 |
0.000 |
89 |
|
[ATP]I:701 |
3 |
1 |
615 |
◊ |
F |
x,y,z |
1_555 |
8 |
1 |
9977 |
40.2 |
0.2 |
0.569 |
0 |
0 |
0 |
0.000 |
90 |
|
[ATP]A:701 |
3 |
1 |
618 |
◊ |
O |
x,y,z |
1_555 |
8 |
1 |
10094 |
39.5 |
0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
91 |
|
[ATP]O:701 |
3 |
1 |
610 |
◊ |
L |
x,y,z |
1_555 |
7 |
1 |
10215 |
38.2 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
92 |
|
[ATP]F:701 |
2 |
1 |
603 |
◊ |
R |
x,y,z |
1_555 |
7 |
1 |
10290 |
37.9 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
93 |
|
[ATP]R:701 |
3 |
1 |
608 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
10413 |
37.1 |
0.1 |
0.518 |
0 |
0 |
0 |
0.000 |
Average: |
39.1 |
0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
36 |
94 |
|
R |
4 |
3 |
10290 |
◊ |
S |
x-1/2,-y-1/2,-z+1 |
4_446 |
4 |
2 |
6182 |
38.7 |
-0.8 |
0.339 |
0 |
0 |
0 |
0.000 |
37 |
95 |
|
[MG]I:702 |
1 |
1 |
98 |
f |
[ATP]I:701 |
x,y,z |
1_555 |
4 |
1 |
615 |
36.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.160 |
96 |
|
[MG]L:702 |
1 |
1 |
98 |
f |
[ATP]L:701 |
x,y,z |
1_555 |
3 |
1 |
616 |
35.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.160 |
97 |
|
[MG]F:702 |
1 |
1 |
98 |
f |
[ATP]F:701 |
x,y,z |
1_555 |
5 |
1 |
603 |
32.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.160 |
98 |
|
[MG]O:702 |
1 |
1 |
98 |
f |
[ATP]O:701 |
x,y,z |
1_555 |
7 |
1 |
610 |
32.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.160 |
99 |
|
[MG]R:702 |
1 |
1 |
98 |
f |
[ATP]R:701 |
x,y,z |
1_555 |
5 |
1 |
608 |
32.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.160 |
100 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[ATP]A:701 |
x,y,z |
1_555 |
5 |
1 |
618 |
32.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
33.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.160 |
38 |
101 |
|
[MG]O:703 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
9 |
2 |
10094 |
30.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.109 |
102 |
|
[MG]F:704 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
9977 |
28.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.109 |
103 |
|
[MG]F:704 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
11 |
2 |
10413 |
27.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.109 |
104 |
|
[MG]O:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
10172 |
26.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.109 |
105 |
|
[MG]F:704 |
1 |
1 |
98 |
◊ |
R |
x,y,z |
1_555 |
8 |
2 |
10290 |
24.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.109 |
106 |
|
[MG]O:703 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
10215 |
20.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
26.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.109 |
39 |
107 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10172 |
30.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.083 |
108 |
|
[MG]F:703 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
10413 |
29.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.083 |
109 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
4 |
3 |
10094 |
25.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.083 |
110 |
|
[MG]F:703 |
1 |
1 |
98 |
◊ |
R |
x,y,z |
1_555 |
3 |
3 |
10290 |
23.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.083 |
111 |
|
[MG]A:703 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
3 |
3 |
10215 |
23.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.083 |
112 |
|
[MG]F:703 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
9977 |
22.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
25.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.083 |
40 |
113 |
|
L |
4 |
3 |
10215 |
◊ |
S |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
6182 |
27.4 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
41 |
114 |
|
L |
2 |
1 |
10215 |
◊ |
T |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
5906 |
25.4 |
-0.6 |
0.262 |
0 |
0 |
0 |
0.000 |
42 |
115 |
|
I |
3 |
3 |
10413 |
◊ |
A |
x,y,z |
1_555 |
5 |
5 |
10172 |
19.9 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
116 |
|
L |
1 |
1 |
10215 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
9977 |
12.6 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
117 |
|
R |
1 |
1 |
10290 |
◊ |
O |
x,y,z |
1_555 |
2 |
2 |
10094 |
8.0 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
Average: |
13.5 |
-0.1 |
0.491 |
0 |
0 |
0 |
0.001 |
43 |
118 |
|
J |
1 |
1 |
6357 |
◊ |
G |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
6160 |
15.7 |
-0.5 |
0.212 |
0 |
0 |
0 |
0.000 |
44 |
119 |
|
B |
2 |
1 |
6382 |
◊ |
P |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
6241 |
7.0 |
-0.1 |
0.402 |
0 |
0 |
0 |
0.000 |
45 |
120 |
|
I |
2 |
2 |
10413 |
◊ |
S |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
6182 |
5.7 |
-0.0 |
0.462 |
0 |
0 |
0 |
0.000 |
46 |
121 |
|
G |
1 |
1 |
6160 |
◊ |
N |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
6149 |
4.3 |
-0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
47 |
122 |
|
[MG]I:702 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6041 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
48 |
123 |
|
L |
1 |
1 |
10215 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
9977 |
1.8 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
49 |
124 |
|
A |
1 |
1 |
10172 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
9977 |
0.5 |
0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
50 |
125 |
|
C |
1 |
1 |
6025 |
◊ |
P |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
6241 |
0.2 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
|