| ## |
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 |
|
F |
227 |
59 |
15902 |
◊ |
E |
x,y,z |
1_555 |
220 |
60 |
15830 |
2037.4 |
-25.7 |
0.068 |
20 |
5 |
1 |
0.643 |
2 |
|
L |
219 |
59 |
15901 |
◊ |
K |
x,y,z |
1_555 |
217 |
63 |
15916 |
1994.0 |
-24.5 |
0.080 |
17 |
3 |
1 |
0.643 |
3 |
|
C |
207 |
57 |
16064 |
◊ |
B |
x,y,z |
1_555 |
220 |
59 |
16063 |
1955.5 |
-20.7 |
0.237 |
21 |
2 |
1 |
0.643 |
4 |
|
I |
208 |
58 |
16119 |
◊ |
H |
x,y,z |
1_555 |
223 |
59 |
16132 |
1931.4 |
-22.7 |
0.182 |
19 |
2 |
1 |
0.643 |
| Average: |
1979.6 |
-23.4 |
0.142 |
19 |
3 |
1 |
0.643 |
| 2 |
5 |
|
B |
203 |
49 |
16063 |
◊ |
A |
x,y,z |
1_555 |
203 |
51 |
6496 |
1954.4 |
-21.1 |
0.151 |
18 |
4 |
1 |
0.777 |
6 |
|
K |
193 |
45 |
15916 |
◊ |
J |
x,y,z |
1_555 |
201 |
49 |
7125 |
1902.4 |
-23.4 |
0.097 |
19 |
8 |
1 |
0.777 |
7 |
|
E |
190 |
46 |
15830 |
◊ |
D |
x,y,z |
1_555 |
198 |
49 |
6448 |
1887.5 |
-20.2 |
0.134 |
17 |
8 |
1 |
0.777 |
8 |
|
H |
195 |
47 |
16132 |
◊ |
G |
x,y,z |
1_555 |
188 |
47 |
6709 |
1835.1 |
-20.7 |
0.158 |
14 |
2 |
1 |
0.777 |
| Average: |
1894.9 |
-21.3 |
0.135 |
17 |
6 |
1 |
0.777 |
| 3 |
9 |
|
L |
94 |
26 |
15901 |
◊ |
J |
x,y,z |
1_555 |
95 |
27 |
7125 |
933.7 |
-18.5 |
0.025 |
11 |
2 |
1 |
0.711 |
10 |
|
I |
90 |
27 |
16119 |
◊ |
G |
x,y,z |
1_555 |
86 |
27 |
6709 |
835.6 |
-14.1 |
0.113 |
7 |
2 |
1 |
0.711 |
11 |
|
F |
86 |
25 |
15902 |
◊ |
D |
x,y,z |
1_555 |
80 |
22 |
6448 |
818.6 |
-16.9 |
0.026 |
8 |
1 |
1 |
0.711 |
12 |
|
C |
77 |
23 |
16064 |
◊ |
A |
x,y,z |
1_555 |
76 |
25 |
6496 |
783.5 |
-14.9 |
0.049 |
9 |
2 |
1 |
0.711 |
| Average: |
842.8 |
-16.1 |
0.053 |
9 |
2 |
1 |
0.711 |
| 4 |
13 |
|
F |
51 |
15 |
15902 |
◊ |
C |
x,y,z |
1_555 |
53 |
18 |
16064 |
452.0 |
-5.9 |
0.308 |
1 |
0 |
0 |
0.078 |
14 |
|
L |
50 |
15 |
15901 |
◊ |
I |
x,y,z |
1_555 |
53 |
18 |
16119 |
448.2 |
-6.0 |
0.293 |
1 |
0 |
0 |
0.078 |
| Average: |
450.1 |
-6.0 |
0.300 |
1 |
0 |
0 |
0.078 |
| 5 |
15 |
|
P |
24 |
4 |
641 |
◊ |
F |
x,y,z |
1_555 |
48 |
16 |
15902 |
351.8 |
-1.0 |
0.626 |
8 |
3 |
0 |
0.057 |
| 6 |
16 |
|
T |
23 |
4 |
632 |
◊ |
L |
x,y,z |
1_555 |
45 |
16 |
15901 |
348.1 |
-1.0 |
0.607 |
5 |
3 |
0 |
0.042 |
| 7 |
17 |
|
S |
25 |
4 |
603 |
◊ |
I |
x,y,z |
1_555 |
48 |
15 |
16119 |
342.5 |
-1.7 |
0.656 |
3 |
3 |
0 |
0.042 |
| 8 |
18 |
|
O |
26 |
4 |
605 |
◊ |
C |
x,y,z |
1_555 |
52 |
16 |
16064 |
335.7 |
-1.5 |
0.689 |
5 |
5 |
0 |
0.052 |
| 9 |
19 |
|
R |
22 |
4 |
629 |
◊ |
K |
x,y,z |
1_555 |
40 |
14 |
15916 |
316.3 |
-1.9 |
0.525 |
7 |
7 |
0 |
0.436 |
20 |
|
N |
23 |
4 |
608 |
◊ |
E |
x,y,z |
1_555 |
41 |
14 |
15830 |
308.4 |
-1.1 |
0.598 |
7 |
6 |
0 |
0.436 |
21 |
|
M |
21 |
4 |
612 |
◊ |
B |
x,y,z |
1_555 |
40 |
14 |
16063 |
304.1 |
-1.9 |
0.579 |
9 |
6 |
0 |
0.436 |
| Average: |
309.6 |
-1.6 |
0.567 |
8 |
6 |
0 |
0.436 |
| 10 |
22 |
|
F |
39 |
12 |
15902 |
◊ |
G |
-x,y,-z+1 |
2_556 |
41 |
10 |
6709 |
308.1 |
-4.2 |
0.327 |
1 |
0 |
0 |
0.053 |
23 |
|
L |
33 |
12 |
15901 |
◊ |
A |
-x,y,-z |
2_555 |
33 |
9 |
6496 |
268.8 |
-1.7 |
0.406 |
1 |
0 |
0 |
0.053 |
| Average: |
288.5 |
-3.0 |
0.366 |
1 |
0 |
0 |
0.053 |
| 11 |
24 |
|
Q |
23 |
4 |
613 |
◊ |
H |
x,y,z |
1_555 |
36 |
14 |
16132 |
306.8 |
-1.9 |
0.556 |
8 |
6 |
0 |
0.439 |
| 12 |
25 |
|
K |
26 |
10 |
15916 |
x |
K |
x,y-1,z |
1_545 |
29 |
12 |
15916 |
235.9 |
-2.1 |
0.454 |
1 |
1 |
0 |
0.000 |
26 |
|
B |
30 |
8 |
16063 |
x |
B |
x,y-1,z |
1_545 |
25 |
10 |
16063 |
233.8 |
-2.5 |
0.435 |
3 |
1 |
0 |
0.000 |
27 |
|
E |
28 |
11 |
15830 |
x |
E |
x,y-1,z |
1_545 |
26 |
10 |
15830 |
227.9 |
-2.2 |
0.432 |
1 |
1 |
0 |
0.000 |
28 |
|
H |
26 |
10 |
16132 |
x |
H |
x,y-1,z |
1_545 |
28 |
8 |
16132 |
221.6 |
-1.6 |
0.553 |
2 |
0 |
0 |
0.000 |
| Average: |
229.8 |
-2.1 |
0.469 |
2 |
1 |
0 |
0.000 |
| 13 |
29 |
|
E |
26 |
11 |
15830 |
◊ |
D |
x,y-1,z |
1_545 |
20 |
6 |
6448 |
225.3 |
0.1 |
0.601 |
4 |
0 |
0 |
0.000 |
30 |
|
J |
21 |
5 |
7125 |
◊ |
K |
x,y-1,z |
1_545 |
23 |
9 |
15916 |
197.4 |
-1.8 |
0.490 |
1 |
0 |
0 |
0.000 |
31 |
|
H |
30 |
14 |
16132 |
◊ |
G |
x,y-1,z |
1_545 |
22 |
6 |
6709 |
197.2 |
-1.3 |
0.586 |
1 |
0 |
0 |
0.000 |
32 |
|
A |
23 |
6 |
6496 |
◊ |
B |
x,y-1,z |
1_545 |
30 |
14 |
16063 |
190.5 |
-1.4 |
0.581 |
1 |
0 |
0 |
0.000 |
| Average: |
202.6 |
-1.1 |
0.565 |
2 |
0 |
0 |
0.000 |
| 14 |
33 |
|
B |
25 |
10 |
16063 |
◊ |
B |
-x,y,-z |
2_555 |
25 |
10 |
16063 |
204.2 |
-0.5 |
0.656 |
0 |
0 |
0 |
0.000 |
34 |
|
H |
25 |
10 |
16132 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
25 |
10 |
16132 |
202.7 |
-0.4 |
0.663 |
0 |
0 |
0 |
0.000 |
| Average: |
203.5 |
-0.5 |
0.659 |
0 |
0 |
0 |
0.000 |
| 15 |
35 |
|
E |
19 |
7 |
15830 |
◊ |
L |
x,y-1,z |
1_545 |
22 |
8 |
15901 |
181.4 |
0.5 |
0.627 |
0 |
0 |
0 |
0.000 |
36 |
|
F |
22 |
8 |
15902 |
◊ |
K |
x-1,y-1,z |
1_445 |
19 |
7 |
15916 |
179.8 |
0.5 |
0.635 |
0 |
0 |
0 |
0.000 |
| Average: |
180.6 |
0.5 |
0.631 |
0 |
0 |
0 |
0.000 |
| 16 |
37 |
|
F |
22 |
9 |
15902 |
◊ |
K |
x,y-1,z |
1_545 |
24 |
9 |
15916 |
166.3 |
1.7 |
0.818 |
1 |
0 |
0 |
0.000 |
38 |
|
E |
25 |
10 |
15830 |
◊ |
L |
x-1,y-1,z |
1_445 |
22 |
10 |
15901 |
164.3 |
1.7 |
0.822 |
1 |
0 |
0 |
0.000 |
| Average: |
165.3 |
1.7 |
0.820 |
1 |
0 |
0 |
0.000 |
| 17 |
39 |
|
F |
20 |
7 |
15902 |
◊ |
K |
x,y,z |
1_555 |
19 |
5 |
15916 |
151.5 |
0.2 |
0.690 |
2 |
0 |
0 |
0.000 |
40 |
|
E |
19 |
5 |
15830 |
◊ |
L |
x-1,y,z |
1_455 |
20 |
7 |
15901 |
148.9 |
0.1 |
0.680 |
2 |
0 |
0 |
0.000 |
| Average: |
150.2 |
0.2 |
0.685 |
2 |
0 |
0 |
0.000 |
| 18 |
41 |
|
E |
19 |
5 |
15830 |
◊ |
I |
x-1,y-1,z |
1_445 |
17 |
7 |
16119 |
149.3 |
-0.6 |
0.593 |
2 |
3 |
0 |
0.018 |
42 |
|
C |
16 |
7 |
16064 |
◊ |
K |
x,y-1,z |
1_545 |
18 |
5 |
15916 |
147.4 |
-0.6 |
0.586 |
1 |
3 |
0 |
0.018 |
| Average: |
148.3 |
-0.6 |
0.590 |
2 |
3 |
0 |
0.018 |
| 19 |
43 |
|
F |
14 |
4 |
15902 |
◊ |
L |
x-1,y,z |
1_455 |
18 |
6 |
15901 |
127.1 |
1.2 |
0.775 |
1 |
0 |
0 |
0.000 |
44 |
|
L |
15 |
4 |
15901 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
15902 |
122.8 |
1.0 |
0.769 |
0 |
0 |
0 |
0.000 |
| Average: |
125.0 |
1.1 |
0.772 |
1 |
0 |
0 |
0.000 |
| 20 |
45 |
|
[NAG]H:470 |
8 |
1 |
344 |
cf |
H |
x,y,z |
1_555 |
13 |
5 |
16132 |
112.1 |
3.2 |
0.547 |
0 |
0 |
0 |
0.000 |
| 21 |
46 |
|
[NDG]B:470 |
7 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
14 |
4 |
16063 |
94.1 |
2.5 |
0.457 |
0 |
0 |
0 |
0.000 |
| 22 |
47 |
|
[NAG]K:470 |
9 |
1 |
358 |
cf |
K |
x,y,z |
1_555 |
10 |
4 |
15916 |
92.7 |
2.8 |
0.501 |
0 |
0 |
0 |
0.000 |
| 23 |
48 |
|
[NDG]E:470 |
8 |
1 |
356 |
cf |
E |
x,y,z |
1_555 |
9 |
4 |
15830 |
90.9 |
2.2 |
0.327 |
1 |
0 |
0 |
0.000 |
| 24 |
49 |
|
C |
4 |
1 |
16064 |
◊ |
K |
x-1,y-1,z |
1_445 |
13 |
6 |
15916 |
61.1 |
0.4 |
0.750 |
1 |
0 |
0 |
0.000 |
50 |
|
E |
14 |
6 |
15830 |
◊ |
I |
x,y-1,z |
1_545 |
4 |
1 |
16119 |
60.6 |
0.3 |
0.729 |
1 |
0 |
0 |
0.000 |
| Average: |
60.8 |
0.4 |
0.739 |
1 |
0 |
0 |
0.000 |
| 25 |
51 |
|
E |
6 |
2 |
15830 |
◊ |
T |
x-1,y,z |
1_455 |
3 |
1 |
632 |
54.1 |
0.0 |
0.458 |
0 |
0 |
0 |
0.000 |
| 26 |
52 |
|
[NH2]S:5 |
1 |
1 |
117 |
cf |
S |
x,y,z |
1_555 |
8 |
2 |
603 |
54.0 |
0.5 |
0.787 |
0 |
0 |
0 |
0.000 |
53 |
|
[NH2]O:5 |
1 |
1 |
117 |
cf |
O |
x,y,z |
1_555 |
7 |
2 |
605 |
48.9 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
| Average: |
51.5 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
| 27 |
54 |
|
P |
5 |
3 |
641 |
◊ |
K |
x,y,z |
1_555 |
7 |
2 |
15916 |
54.0 |
-0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
| 28 |
55 |
|
[NH2]P:5 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
5 |
2 |
641 |
53.4 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
56 |
|
[NH2]R:5 |
1 |
1 |
117 |
cf |
R |
x,y,z |
1_555 |
7 |
2 |
629 |
51.8 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
57 |
|
[NH2]T:5 |
1 |
1 |
117 |
cf |
T |
x,y,z |
1_555 |
4 |
1 |
632 |
51.0 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
58 |
|
[NH2]M:5 |
1 |
1 |
117 |
cf |
M |
x,y,z |
1_555 |
4 |
1 |
612 |
50.8 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
59 |
|
[NH2]Q:5 |
1 |
1 |
117 |
cf |
Q |
x,y,z |
1_555 |
4 |
1 |
613 |
50.8 |
0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
60 |
|
[NH2]N:5 |
1 |
1 |
117 |
cf |
N |
x,y,z |
1_555 |
7 |
2 |
608 |
50.0 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
| Average: |
51.3 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
| 29 |
61 |
|
[CA]B:2 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16063 |
53.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.847 |
62 |
|
[CA]H:2 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
16132 |
52.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.847 |
63 |
|
[CA]K:2 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
11 |
6 |
15916 |
50.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.847 |
64 |
|
[CA]E:2 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
15830 |
50.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.847 |
| Average: |
51.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.847 |
| 30 |
65 |
|
[NDG]E:470 |
6 |
1 |
356 |
◊ |
N |
x,y,z |
1_555 |
6 |
3 |
608 |
48.4 |
0.6 |
0.250 |
1 |
0 |
0 |
0.000 |
| 31 |
66 |
|
[CA]C:1 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
16064 |
46.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.332 |
67 |
|
[CA]I:1 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
16119 |
45.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.332 |
68 |
|
[CA]F:1 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
15902 |
45.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.332 |
69 |
|
[CA]L:1 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
11 |
6 |
15901 |
45.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.332 |
| Average: |
45.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.332 |
| 32 |
70 |
|
C |
9 |
4 |
16064 |
◊ |
C |
-x-1,y,-z |
2_455 |
9 |
4 |
16064 |
45.6 |
1.5 |
0.881 |
0 |
0 |
0 |
0.000 |
71 |
|
I |
4 |
2 |
16119 |
◊ |
I |
-x,y,-z+1 |
2_556 |
4 |
2 |
16119 |
30.2 |
0.8 |
0.851 |
0 |
0 |
0 |
0.000 |
| Average: |
37.9 |
1.2 |
0.866 |
0 |
0 |
0 |
0.000 |
| 33 |
72 |
|
[NH2]N:5 |
1 |
1 |
117 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
15830 |
43.3 |
1.0 |
0.925 |
0 |
0 |
0 |
0.000 |
73 |
|
[NH2]R:5 |
1 |
1 |
117 |
◊ |
K |
x,y,z |
1_555 |
4 |
3 |
15916 |
42.8 |
1.0 |
0.929 |
0 |
0 |
0 |
0.000 |
74 |
|
[NH2]Q:5 |
1 |
1 |
117 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
16132 |
20.4 |
0.7 |
0.953 |
0 |
0 |
0 |
0.000 |
75 |
|
[NH2]M:5 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16063 |
20.1 |
0.7 |
0.955 |
0 |
0 |
0 |
0.000 |
| Average: |
31.6 |
0.8 |
0.940 |
0 |
0 |
0 |
0.000 |
| 34 |
76 |
|
H |
8 |
4 |
16132 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
6709 |
42.1 |
0.2 |
0.673 |
0 |
0 |
0 |
0.000 |
77 |
|
B |
6 |
3 |
16063 |
◊ |
A |
-x,y,-z |
2_555 |
9 |
4 |
6496 |
25.7 |
-0.3 |
0.595 |
0 |
0 |
0 |
0.000 |
| Average: |
33.9 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
| 35 |
78 |
|
[NAG]K:470 |
6 |
1 |
358 |
◊ |
R |
x,y,z |
1_555 |
5 |
3 |
629 |
40.4 |
0.9 |
0.392 |
0 |
0 |
0 |
0.000 |
| 36 |
79 |
|
E |
4 |
1 |
15830 |
◊ |
S |
x-1,y-1,z |
1_445 |
4 |
1 |
603 |
39.5 |
0.6 |
0.790 |
1 |
0 |
0 |
0.000 |
| 37 |
80 |
|
O |
4 |
1 |
605 |
◊ |
K |
x,y-1,z |
1_545 |
5 |
2 |
15916 |
37.6 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
| 38 |
81 |
|
[CA]K:3 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
7 |
4 |
15916 |
37.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.137 |
82 |
|
[CA]E:3 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
15830 |
36.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
37.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.137 |
| 39 |
83 |
|
[NH2]O:5 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
16064 |
37.4 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
84 |
|
[NH2]P:5 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
15902 |
32.0 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
85 |
|
[NH2]S:5 |
1 |
1 |
117 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
16119 |
7.2 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
| Average: |
25.6 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
| 40 |
86 |
|
[CA]E:3 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
15902 |
32.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.080 |
87 |
|
[CA]K:3 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
15901 |
31.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
31.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
| 41 |
88 |
|
K |
2 |
1 |
15916 |
◊ |
A |
-x,y,-z |
2_555 |
5 |
2 |
6496 |
26.4 |
0.9 |
0.794 |
0 |
0 |
0 |
0.000 |
89 |
|
E |
3 |
1 |
15830 |
◊ |
G |
-x,y,-z+1 |
2_556 |
3 |
2 |
6709 |
22.0 |
0.4 |
0.744 |
0 |
0 |
0 |
0.000 |
| Average: |
24.2 |
0.7 |
0.769 |
0 |
0 |
0 |
0.000 |
| 42 |
90 |
|
B |
5 |
2 |
16063 |
◊ |
K |
x-1,y,z |
1_455 |
5 |
2 |
15916 |
24.7 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
91 |
|
H |
4 |
3 |
16132 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
15830 |
14.9 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
| Average: |
19.8 |
0.2 |
0.696 |
0 |
0 |
0 |
0.000 |
| 43 |
92 |
|
[NH2]Q:5 |
1 |
1 |
117 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
16132 |
24.5 |
1.2 |
0.990 |
0 |
0 |
0 |
0.000 |
| 44 |
93 |
|
Q |
2 |
1 |
613 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
16132 |
24.0 |
0.8 |
0.797 |
1 |
0 |
0 |
0.000 |
| 45 |
94 |
|
I |
4 |
2 |
16119 |
x |
I |
x,y-1,z |
1_545 |
4 |
3 |
16119 |
20.1 |
0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
95 |
|
C |
4 |
3 |
16064 |
x |
C |
x,y-1,z |
1_545 |
4 |
2 |
16064 |
18.8 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
| 46 |
96 |
|
F |
2 |
2 |
15902 |
x |
F |
x,y-1,z |
1_545 |
2 |
2 |
15902 |
18.4 |
0.7 |
0.865 |
0 |
0 |
0 |
0.000 |
97 |
|
L |
2 |
2 |
15901 |
x |
L |
x,y-1,z |
1_545 |
2 |
2 |
15901 |
18.3 |
0.7 |
0.865 |
0 |
0 |
0 |
0.000 |
| Average: |
18.4 |
0.7 |
0.865 |
0 |
0 |
0 |
0.000 |
| 47 |
98 |
|
C |
3 |
2 |
16064 |
◊ |
L |
x,y-1,z |
1_545 |
5 |
3 |
15901 |
17.3 |
0.5 |
0.774 |
0 |
0 |
0 |
0.000 |
99 |
|
F |
6 |
3 |
15902 |
◊ |
I |
x-1,y-1,z |
1_445 |
2 |
2 |
16119 |
15.5 |
0.5 |
0.777 |
0 |
0 |
0 |
0.000 |
| Average: |
16.4 |
0.5 |
0.776 |
0 |
0 |
0 |
0.000 |
| 48 |
100 |
|
P |
2 |
1 |
641 |
◊ |
K |
x,y-1,z |
1_545 |
2 |
1 |
15916 |
16.2 |
-0.5 |
0.376 |
0 |
0 |
0 |
0.000 |
| 49 |
101 |
|
L |
5 |
2 |
15901 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
16063 |
15.4 |
-0.3 |
0.436 |
0 |
0 |
0 |
0.003 |
102 |
|
F |
4 |
3 |
15902 |
◊ |
H |
-x,y,-z+1 |
2_556 |
4 |
2 |
16132 |
9.1 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.003 |
| Average: |
12.3 |
-0.2 |
0.513 |
0 |
0 |
0 |
0.003 |
| 50 |
103 |
|
E |
3 |
2 |
15830 |
◊ |
[NH2]T:5 |
x-1,y-1,z |
1_445 |
1 |
1 |
117 |
14.9 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
| 51 |
104 |
|
I |
1 |
1 |
16119 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
15902 |
14.4 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
105 |
|
C |
1 |
1 |
16064 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
15901 |
6.5 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
| Average: |
10.5 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
| 52 |
106 |
|
[NH2]O:5 |
1 |
1 |
117 |
◊ |
K |
x,y-1,z |
1_545 |
3 |
2 |
15916 |
11.1 |
0.1 |
0.804 |
0 |
0 |
0 |
0.000 |
107 |
|
E |
2 |
1 |
15830 |
◊ |
[NH2]S:5 |
x-1,y-1,z |
1_445 |
1 |
1 |
117 |
6.3 |
0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
| Average: |
8.7 |
0.1 |
0.818 |
0 |
0 |
0 |
0.000 |
| 53 |
108 |
|
E |
2 |
1 |
15830 |
◊ |
T |
x-1,y-1,z |
1_445 |
1 |
1 |
632 |
9.8 |
-0.3 |
0.430 |
0 |
0 |
0 |
0.003 |
| 54 |
109 |
|
[NH2]T:5 |
1 |
1 |
117 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
15901 |
6.4 |
-0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
| 55 |
110 |
|
C |
2 |
2 |
16064 |
◊ |
J |
-x,y-1,-z |
2_545 |
2 |
2 |
7125 |
5.8 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
| 56 |
111 |
|
[NDG]B:470 |
1 |
1 |
360 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
612 |
4.8 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
| 57 |
112 |
|
[NH2]Q:5 |
1 |
1 |
117 |
◊ |
[NAG]H:470 |
x,y,z |
1_555 |
2 |
1 |
344 |
4.1 |
0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
| 58 |
113 |
|
I |
2 |
1 |
16119 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
16132 |
3.0 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
114 |
|
C |
1 |
1 |
16064 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
16063 |
1.9 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
| Average: |
2.4 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
| 59 |
115 |
|
[NH2]N:5 |
1 |
1 |
117 |
◊ |
[NDG]E:470 |
x,y,z |
1_555 |
1 |
1 |
356 |
2.5 |
0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
| 60 |
116 |
|
[CA]E:3 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6448 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 61 |
117 |
|
L |
1 |
1 |
15901 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
16064 |
2.2 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 62 |
118 |
|
[NAG]H:470 |
1 |
1 |
344 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
613 |
1.5 |
-0.0 |
0.311 |
0 |
0 |
0 |
0.000 |
| 63 |
119 |
|
K |
1 |
1 |
15916 |
◊ |
[NH2]R:5 |
x,y-1,z |
1_545 |
1 |
1 |
117 |
1.5 |
-0.0 |
0.700 |
0 |
0 |
0 |
0.000 |
| 64 |
120 |
|
J |
1 |
1 |
7125 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
6496 |
0.9 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
|