## |
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 |
|
G |
112 |
32 |
6319 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
110 |
32 |
6305 |
995.9 |
-8.4 |
0.349 |
4 |
0 |
0 |
0.037 |
2 |
|
C |
103 |
32 |
6310 |
◊ |
B |
x,y,z |
1_555 |
103 |
32 |
6299 |
979.9 |
-8.4 |
0.329 |
3 |
0 |
0 |
0.037 |
3 |
|
D |
100 |
32 |
6287 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
101 |
31 |
6336 |
969.2 |
-8.1 |
0.354 |
4 |
0 |
0 |
0.037 |
4 |
|
F |
103 |
32 |
6276 |
◊ |
E |
x,y,z |
1_555 |
101 |
31 |
6313 |
964.6 |
-9.1 |
0.309 |
2 |
0 |
0 |
0.037 |
Average: |
977.4 |
-8.5 |
0.335 |
3 |
0 |
0 |
0.037 |
2 |
5 |
|
B |
35 |
12 |
6299 |
◊ |
G |
-x-1/2,-y,z-1/2 |
2_454 |
35 |
10 |
6319 |
326.0 |
2.6 |
0.889 |
6 |
1 |
0 |
0.000 |
6 |
|
D |
31 |
9 |
6287 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
31 |
10 |
6313 |
323.3 |
1.4 |
0.833 |
6 |
0 |
0 |
0.000 |
7 |
|
A |
32 |
9 |
6305 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
33 |
10 |
6310 |
322.7 |
2.4 |
0.884 |
6 |
0 |
0 |
0.000 |
8 |
|
F |
31 |
10 |
6276 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
10 |
6336 |
316.4 |
1.3 |
0.829 |
6 |
0 |
0 |
0.000 |
Average: |
322.1 |
1.9 |
0.859 |
6 |
0 |
0 |
0.000 |
3 |
9 |
|
B |
36 |
13 |
6299 |
◊ |
F |
x-1,y,z |
1_455 |
32 |
9 |
6276 |
280.3 |
-2.0 |
0.517 |
3 |
0 |
0 |
0.000 |
4 |
10 |
|
D |
21 |
5 |
6287 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
5 |
6276 |
225.4 |
3.1 |
0.935 |
5 |
0 |
0 |
0.000 |
11 |
|
E |
21 |
5 |
6313 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
5 |
6336 |
224.6 |
3.4 |
0.945 |
4 |
0 |
0 |
0.000 |
12 |
|
C |
20 |
4 |
6310 |
◊ |
G |
-x-1/2,-y,z-1/2 |
2_454 |
22 |
5 |
6319 |
215.7 |
2.9 |
0.928 |
4 |
0 |
0 |
0.000 |
13 |
|
A |
21 |
5 |
6305 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
5 |
6299 |
215.1 |
2.7 |
0.916 |
5 |
0 |
0 |
0.000 |
Average: |
220.2 |
3.1 |
0.931 |
5 |
0 |
0 |
0.000 |
5 |
14 |
|
[GAL]P:299 |
11 |
1 |
294 |
◊ |
H |
x,y,z |
1_555 |
27 |
12 |
6336 |
168.1 |
2.6 |
0.375 |
5 |
0 |
0 |
0.000 |
15 |
|
[GAL]M:299 |
11 |
1 |
294 |
◊ |
E |
x,y,z |
1_555 |
25 |
12 |
6313 |
167.3 |
2.5 |
0.343 |
5 |
0 |
0 |
0.000 |
16 |
|
[GAL]O:299 |
11 |
1 |
293 |
◊ |
G |
x,y,z |
1_555 |
26 |
12 |
6319 |
167.0 |
2.6 |
0.363 |
3 |
0 |
0 |
0.000 |
17 |
|
[GAL]K:299 |
11 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
25 |
12 |
6310 |
166.1 |
2.6 |
0.346 |
4 |
0 |
0 |
0.000 |
18 |
|
[GAL]N:299 |
11 |
1 |
293 |
◊ |
F |
x,y,z |
1_555 |
25 |
12 |
6276 |
148.7 |
2.3 |
0.380 |
4 |
0 |
0 |
0.000 |
19 |
|
[GAL]J:299 |
11 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
25 |
12 |
6299 |
148.6 |
2.3 |
0.381 |
4 |
0 |
0 |
0.000 |
20 |
|
[GAL]L:299 |
11 |
1 |
293 |
◊ |
D |
x,y,z |
1_555 |
26 |
12 |
6287 |
143.8 |
0.9 |
0.242 |
3 |
0 |
0 |
0.000 |
21 |
|
[GAL]I:299 |
11 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
24 |
12 |
6305 |
139.7 |
0.9 |
0.246 |
3 |
0 |
0 |
0.000 |
Average: |
156.2 |
2.1 |
0.335 |
4 |
0 |
0 |
0.000 |
6 |
22 |
|
F |
17 |
6 |
6276 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
6305 |
163.3 |
-0.4 |
0.622 |
1 |
0 |
0 |
0.000 |
23 |
|
D |
16 |
8 |
6287 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
6299 |
154.2 |
-0.4 |
0.619 |
1 |
0 |
0 |
0.000 |
Average: |
158.7 |
-0.4 |
0.620 |
1 |
0 |
0 |
0.000 |
7 |
24 |
|
N |
17 |
3 |
595 |
◊ |
F |
x,y,z |
1_555 |
20 |
6 |
6276 |
149.6 |
-1.0 |
0.792 |
1 |
0 |
0 |
0.000 |
8 |
25 |
|
F |
17 |
7 |
6276 |
◊ |
B |
x,y,z |
1_555 |
20 |
5 |
6299 |
149.2 |
-1.0 |
0.430 |
0 |
0 |
0 |
0.000 |
9 |
26 |
|
C |
21 |
5 |
6310 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
8 |
6313 |
148.7 |
-1.7 |
0.357 |
1 |
0 |
0 |
0.000 |
10 |
27 |
|
E |
16 |
6 |
6313 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
6310 |
129.0 |
-0.3 |
0.597 |
0 |
0 |
0 |
0.000 |
11 |
28 |
|
G |
25 |
8 |
6319 |
◊ |
N |
x-1,y,z |
1_455 |
9 |
3 |
595 |
126.9 |
-1.7 |
0.600 |
0 |
0 |
0 |
0.000 |
12 |
29 |
|
I |
10 |
3 |
588 |
◊ |
F |
x,y,z |
1_555 |
18 |
8 |
6276 |
124.2 |
-1.8 |
0.602 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
J |
13 |
3 |
594 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
6299 |
121.6 |
-1.3 |
0.625 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
D |
13 |
7 |
6287 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
6305 |
114.5 |
-0.3 |
0.578 |
2 |
0 |
0 |
0.000 |
15 |
32 |
|
N |
9 |
2 |
595 |
◊ |
H |
x,y,z |
1_555 |
15 |
3 |
6336 |
102.3 |
-0.3 |
0.713 |
1 |
1 |
0 |
0.000 |
16 |
33 |
|
[PHB]K:300 |
9 |
1 |
271 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
6310 |
102.2 |
2.6 |
0.212 |
0 |
0 |
0 |
0.000 |
34 |
|
[PHB]M:300 |
9 |
1 |
271 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
6313 |
101.5 |
2.6 |
0.216 |
0 |
0 |
0 |
0.000 |
35 |
|
[PHB]O:300 |
9 |
1 |
272 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
6319 |
98.8 |
2.3 |
0.186 |
0 |
0 |
0 |
0.000 |
Average: |
100.8 |
2.5 |
0.205 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
[PHB]P:300 |
9 |
1 |
271 |
◊ |
H |
x,y,z |
1_555 |
15 |
6 |
6336 |
101.0 |
2.3 |
0.197 |
0 |
0 |
0 |
0.000 |
37 |
|
[PHB]L:300 |
9 |
1 |
274 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
6287 |
99.7 |
1.5 |
0.148 |
0 |
0 |
0 |
0.000 |
Average: |
100.3 |
1.9 |
0.173 |
0 |
0 |
0 |
0.000 |
18 |
38 |
|
J |
9 |
2 |
594 |
◊ |
G |
x,y,z |
1_555 |
15 |
3 |
6319 |
98.1 |
-0.9 |
0.588 |
0 |
0 |
0 |
0.000 |
19 |
39 |
|
H |
15 |
6 |
6336 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
6276 |
97.0 |
-0.4 |
0.602 |
1 |
0 |
0 |
0.000 |
40 |
|
G |
15 |
6 |
6319 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
6299 |
93.4 |
-0.4 |
0.595 |
1 |
0 |
0 |
0.000 |
Average: |
95.2 |
-0.4 |
0.599 |
1 |
0 |
0 |
0.000 |
20 |
41 |
|
H |
12 |
6 |
6336 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
6319 |
94.8 |
0.3 |
0.698 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[PHB]I:300 |
9 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
6305 |
93.2 |
1.7 |
0.171 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
H |
11 |
6 |
6336 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
4 |
6305 |
89.2 |
-1.3 |
0.353 |
0 |
1 |
0 |
0.000 |
23 |
44 |
|
[PHB]J:300 |
8 |
1 |
272 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
6299 |
88.8 |
1.6 |
0.238 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
I |
13 |
3 |
588 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
6305 |
88.7 |
-0.9 |
0.640 |
1 |
0 |
0 |
0.000 |
25 |
46 |
|
G |
8 |
5 |
6319 |
◊ |
H |
x-1,y,z |
1_455 |
16 |
6 |
6336 |
85.1 |
-0.2 |
0.595 |
0 |
0 |
0 |
0.000 |
26 |
47 |
|
[PHB]J:300 |
9 |
1 |
272 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
6319 |
84.4 |
1.6 |
0.200 |
0 |
0 |
0 |
0.000 |
27 |
48 |
|
[PHB]N:300 |
8 |
1 |
270 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
6276 |
83.6 |
2.2 |
0.302 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
G |
12 |
6 |
6319 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
3 |
6276 |
82.9 |
-0.7 |
0.513 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
[PHB]N:300 |
9 |
1 |
270 |
◊ |
H |
x,y,z |
1_555 |
16 |
4 |
6336 |
82.1 |
1.8 |
0.210 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
I |
5 |
1 |
588 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
6299 |
81.8 |
-1.1 |
0.553 |
0 |
0 |
0 |
0.000 |
31 |
52 |
|
D |
11 |
4 |
6287 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
5 |
6305 |
76.6 |
-0.7 |
0.489 |
0 |
0 |
0 |
0.000 |
32 |
53 |
|
C |
5 |
2 |
6310 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
6313 |
75.3 |
-1.0 |
0.288 |
0 |
0 |
0 |
0.000 |
33 |
54 |
|
J |
5 |
3 |
594 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
6336 |
73.0 |
0.2 |
0.668 |
1 |
0 |
0 |
0.000 |
34 |
55 |
|
[PHB]L:300 |
9 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6299 |
66.3 |
1.4 |
0.127 |
0 |
0 |
0 |
0.000 |
35 |
56 |
|
[GAL]I:299 |
7 |
1 |
292 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
6276 |
65.2 |
1.2 |
0.385 |
1 |
0 |
0 |
0.000 |
57 |
|
[GAL]L:299 |
7 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
6299 |
64.7 |
1.2 |
0.340 |
1 |
0 |
0 |
0.000 |
Average: |
65.0 |
1.2 |
0.363 |
1 |
0 |
0 |
0.000 |
36 |
58 |
|
[PHB]I:300 |
5 |
1 |
275 |
cf |
I |
x,y,z |
1_555 |
8 |
2 |
588 |
62.0 |
1.8 |
0.427 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[PHB]N:300 |
4 |
1 |
270 |
cf |
N |
x,y,z |
1_555 |
9 |
2 |
595 |
57.4 |
2.2 |
0.583 |
0 |
0 |
0 |
0.000 |
38 |
60 |
|
[PHB]P:300 |
4 |
1 |
271 |
cf |
[GAL]P:299 |
x,y,z |
1_555 |
6 |
1 |
294 |
54.5 |
1.1 |
0.094 |
0 |
0 |
0 |
0.000 |
61 |
|
[PHB]O:300 |
4 |
1 |
272 |
cf |
[GAL]O:299 |
x,y,z |
1_555 |
6 |
1 |
293 |
53.7 |
1.0 |
0.088 |
0 |
0 |
0 |
0.000 |
62 |
|
[PHB]K:300 |
4 |
1 |
271 |
cf |
[GAL]K:299 |
x,y,z |
1_555 |
6 |
1 |
293 |
53.5 |
1.0 |
0.083 |
0 |
0 |
0 |
0.000 |
63 |
|
[PHB]M:300 |
4 |
1 |
271 |
cf |
[GAL]M:299 |
x,y,z |
1_555 |
6 |
1 |
294 |
53.4 |
1.0 |
0.083 |
0 |
0 |
0 |
0.000 |
64 |
|
[PHB]L:300 |
4 |
1 |
274 |
cf |
[GAL]L:299 |
x,y,z |
1_555 |
6 |
1 |
293 |
50.1 |
0.8 |
0.083 |
0 |
0 |
0 |
0.000 |
Average: |
53.0 |
1.0 |
0.086 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
[PHB]I:300 |
8 |
1 |
275 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
6276 |
53.2 |
1.2 |
0.155 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
[PHB]J:300 |
4 |
1 |
272 |
cf |
J |
x,y,z |
1_555 |
8 |
2 |
594 |
53.1 |
1.7 |
0.483 |
1 |
0 |
0 |
0.000 |
41 |
67 |
|
[NH2]N:304 |
1 |
1 |
117 |
cf |
N |
x,y,z |
1_555 |
6 |
2 |
595 |
50.0 |
0.2 |
0.838 |
0 |
0 |
0 |
0.000 |
68 |
|
[NH2]I:304 |
1 |
1 |
117 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
588 |
46.9 |
0.1 |
0.819 |
0 |
0 |
0 |
0.000 |
Average: |
48.5 |
0.1 |
0.829 |
0 |
0 |
0 |
0.000 |
42 |
69 |
|
[NH2]J:304 |
1 |
1 |
117 |
cf |
J |
x,y,z |
1_555 |
6 |
2 |
594 |
49.9 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
43 |
70 |
|
[PHB]I:300 |
4 |
1 |
275 |
cf |
[GAL]I:299 |
x,y,z |
1_555 |
6 |
1 |
292 |
48.0 |
0.9 |
0.094 |
0 |
0 |
0 |
0.000 |
44 |
71 |
|
[GAL]J:299 |
4 |
1 |
294 |
◊ |
G |
x,y,z |
1_555 |
9 |
2 |
6319 |
44.7 |
0.7 |
0.425 |
0 |
0 |
0 |
0.000 |
72 |
|
[GAL]N:299 |
4 |
1 |
293 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
6336 |
44.3 |
0.8 |
0.431 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
0.8 |
0.428 |
0 |
0 |
0 |
0.000 |
45 |
73 |
|
[PHB]J:300 |
4 |
1 |
272 |
cf |
[GAL]J:299 |
x,y,z |
1_555 |
6 |
1 |
294 |
44.5 |
0.9 |
0.097 |
0 |
0 |
0 |
0.000 |
46 |
74 |
|
G |
10 |
2 |
6319 |
◊ |
[NH2]N:304 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
44.3 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
47 |
75 |
|
[NH2]I:304 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6299 |
42.9 |
0.6 |
0.796 |
0 |
0 |
0 |
0.000 |
48 |
76 |
|
[PHB]N:300 |
3 |
1 |
270 |
cf |
[GAL]N:299 |
x,y,z |
1_555 |
6 |
1 |
293 |
42.2 |
0.7 |
0.095 |
0 |
0 |
0 |
0.000 |
49 |
77 |
|
D |
3 |
2 |
6287 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
2 |
6310 |
36.3 |
0.3 |
0.604 |
0 |
0 |
0 |
0.000 |
50 |
78 |
|
G |
3 |
1 |
6319 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
4 |
3 |
6287 |
34.0 |
-0.6 |
0.326 |
0 |
0 |
0 |
0.000 |
51 |
79 |
|
[CA]E:201 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
6313 |
33.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
80 |
|
[CA]F:201 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
6276 |
33.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
81 |
|
[CA]H:201 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
6336 |
33.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
82 |
|
[CA]C:201 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6310 |
33.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
83 |
|
[CA]G:201 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
6319 |
33.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
84 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
6287 |
33.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.100 |
85 |
|
[CA]A:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6305 |
33.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
86 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6299 |
33.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
33.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.100 |
52 |
87 |
|
[NH2]J:304 |
1 |
1 |
117 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
6336 |
30.7 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
53 |
88 |
|
[GAL]K:299 |
3 |
1 |
293 |
◊ |
[CA]C:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
|
[GAL]M:299 |
3 |
1 |
294 |
◊ |
[CA]E:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
|
[GAL]P:299 |
4 |
1 |
294 |
◊ |
[CA]H:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
|
[GAL]O:299 |
4 |
1 |
293 |
◊ |
[CA]G:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
24.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
92 |
|
[GAL]J:299 |
4 |
1 |
294 |
◊ |
[CA]B:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
93 |
|
[GAL]N:299 |
4 |
1 |
293 |
◊ |
[CA]F:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
94 |
|
[GAL]I:299 |
4 |
1 |
292 |
◊ |
[CA]A:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
|
[GAL]L:299 |
4 |
1 |
293 |
◊ |
[CA]D:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
23.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
96 |
|
[PHB]P:300 |
3 |
1 |
271 |
f |
I |
x,y,z |
1_555 |
2 |
1 |
588 |
11.9 |
0.7 |
0.301 |
0 |
0 |
0 |
0.000 |
55 |
97 |
|
[NH2]I:304 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
6276 |
9.2 |
0.2 |
0.860 |
0 |
0 |
0 |
0.000 |
56 |
98 |
|
F |
1 |
1 |
6276 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6310 |
7.4 |
-0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
57 |
99 |
|
[NH2]J:304 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6276 |
0.5 |
0.0 |
0.794 |
0 |
0 |
0 |
0.000 |
|