| ## |
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 |
|
L |
194 |
54 |
15118 |
◊ |
K |
x,y,z |
1_555 |
196 |
50 |
15155 |
1883.2 |
-19.4 |
0.105 |
25 |
4 |
0 |
0.727 |
2 |
|
D |
193 |
54 |
15143 |
◊ |
C |
x,y,z |
1_555 |
192 |
49 |
15150 |
1882.8 |
-18.9 |
0.113 |
23 |
5 |
0 |
0.727 |
3 |
|
B |
191 |
54 |
15162 |
◊ |
A |
x,y,z |
1_555 |
191 |
50 |
15152 |
1881.3 |
-19.4 |
0.099 |
25 |
4 |
0 |
0.727 |
4 |
|
J |
193 |
54 |
15129 |
◊ |
I |
x,y,z |
1_555 |
197 |
51 |
15118 |
1877.0 |
-19.3 |
0.110 |
24 |
4 |
0 |
0.727 |
5 |
|
F |
188 |
54 |
15149 |
◊ |
E |
x,y,z |
1_555 |
189 |
49 |
15139 |
1872.6 |
-19.2 |
0.104 |
24 |
4 |
0 |
0.727 |
6 |
|
C |
188 |
54 |
15150 |
◊ |
B |
x,y,z |
1_555 |
189 |
49 |
15162 |
1872.2 |
-18.9 |
0.106 |
24 |
5 |
0 |
0.727 |
7 |
|
D |
191 |
50 |
15143 |
◊ |
A |
x,y,z |
1_555 |
189 |
54 |
15152 |
1871.7 |
-18.8 |
0.110 |
22 |
5 |
0 |
0.727 |
8 |
|
O |
185 |
54 |
15176 |
◊ |
N |
x,y,z |
1_555 |
184 |
49 |
15133 |
1870.7 |
-19.5 |
0.087 |
22 |
5 |
0 |
0.727 |
9 |
|
P |
187 |
49 |
15151 |
◊ |
M |
x,y,z |
1_555 |
188 |
53 |
15166 |
1869.7 |
-19.9 |
0.086 |
22 |
5 |
0 |
0.727 |
10 |
|
H |
186 |
54 |
15125 |
◊ |
G |
x,y,z |
1_555 |
193 |
50 |
15163 |
1867.4 |
-19.3 |
0.101 |
24 |
4 |
0 |
0.727 |
11 |
|
K |
190 |
54 |
15155 |
◊ |
J |
x,y,z |
1_555 |
189 |
49 |
15129 |
1864.5 |
-18.8 |
0.110 |
22 |
4 |
0 |
0.727 |
12 |
|
G |
189 |
53 |
15163 |
◊ |
F |
x,y,z |
1_555 |
187 |
50 |
15149 |
1864.1 |
-19.4 |
0.094 |
23 |
5 |
0 |
0.727 |
13 |
|
P |
188 |
53 |
15151 |
◊ |
O |
x,y,z |
1_555 |
188 |
49 |
15176 |
1862.8 |
-19.2 |
0.100 |
23 |
4 |
0 |
0.727 |
14 |
|
H |
187 |
50 |
15125 |
◊ |
E |
x,y,z |
1_555 |
190 |
53 |
15139 |
1861.2 |
-19.3 |
0.097 |
22 |
4 |
0 |
0.727 |
15 |
|
N |
190 |
54 |
15133 |
◊ |
M |
x,y,z |
1_555 |
190 |
49 |
15166 |
1861.2 |
-18.8 |
0.113 |
21 |
4 |
0 |
0.727 |
16 |
|
L |
184 |
49 |
15118 |
◊ |
I |
x,y,z |
1_555 |
189 |
54 |
15118 |
1859.9 |
-18.9 |
0.100 |
22 |
4 |
0 |
0.727 |
| Average: |
1870.1 |
-19.2 |
0.102 |
23 |
4 |
0 |
0.727 |
| 2 |
17 |
|
B |
53 |
17 |
15162 |
◊ |
J |
x,y,z-1 |
1_554 |
50 |
17 |
15129 |
487.6 |
-2.2 |
0.534 |
2 |
0 |
0 |
0.000 |
18 |
|
L |
52 |
17 |
15118 |
◊ |
D |
x,y,z |
1_555 |
53 |
17 |
15143 |
484.1 |
-2.2 |
0.538 |
2 |
0 |
0 |
0.000 |
| Average: |
485.9 |
-2.2 |
0.536 |
2 |
0 |
0 |
0.000 |
| 3 |
19 |
|
[G39]D:1 |
20 |
1 |
482 |
f |
D |
x,y,z |
1_555 |
39 |
17 |
15143 |
327.5 |
0.9 |
0.625 |
8 |
0 |
0 |
0.089 |
20 |
|
[G39]B:1 |
20 |
1 |
476 |
f |
B |
x,y,z |
1_555 |
38 |
18 |
15162 |
323.1 |
0.8 |
0.678 |
8 |
0 |
0 |
0.089 |
21 |
|
[G39]O:1 |
20 |
1 |
474 |
f |
O |
x,y,z |
1_555 |
41 |
17 |
15176 |
322.4 |
-1.1 |
0.648 |
8 |
0 |
0 |
0.089 |
22 |
|
[G39]F:1 |
20 |
1 |
473 |
f |
F |
x,y,z |
1_555 |
39 |
18 |
15149 |
321.4 |
-0.6 |
0.697 |
8 |
0 |
0 |
0.089 |
23 |
|
[G39]P:1 |
20 |
1 |
474 |
f |
P |
x,y,z |
1_555 |
40 |
18 |
15151 |
321.3 |
1.8 |
0.704 |
7 |
0 |
0 |
0.089 |
24 |
|
[G39]C:1 |
19 |
1 |
466 |
f |
C |
x,y,z |
1_555 |
41 |
18 |
15150 |
320.6 |
-0.8 |
0.649 |
8 |
0 |
0 |
0.089 |
25 |
|
[G39]M:1 |
20 |
1 |
468 |
f |
M |
x,y,z |
1_555 |
40 |
18 |
15166 |
319.8 |
-0.3 |
0.692 |
7 |
0 |
0 |
0.089 |
26 |
|
[G39]G:1 |
20 |
1 |
465 |
f |
G |
x,y,z |
1_555 |
41 |
17 |
15163 |
318.6 |
-0.8 |
0.632 |
7 |
0 |
0 |
0.089 |
27 |
|
[G39]H:1 |
20 |
1 |
463 |
f |
H |
x,y,z |
1_555 |
40 |
17 |
15125 |
317.2 |
0.7 |
0.669 |
8 |
0 |
0 |
0.089 |
28 |
|
[G39]N:1 |
20 |
1 |
464 |
f |
N |
x,y,z |
1_555 |
39 |
18 |
15133 |
317.1 |
0.3 |
0.681 |
7 |
0 |
0 |
0.089 |
29 |
|
[G39]J:1 |
20 |
1 |
466 |
f |
J |
x,y,z |
1_555 |
38 |
18 |
15129 |
316.7 |
1.2 |
0.712 |
7 |
0 |
0 |
0.089 |
30 |
|
[G39]I:1 |
20 |
1 |
462 |
f |
I |
x,y,z |
1_555 |
37 |
18 |
15118 |
316.5 |
0.4 |
0.650 |
7 |
0 |
0 |
0.089 |
31 |
|
[G39]K:1 |
20 |
1 |
462 |
f |
K |
x,y,z |
1_555 |
40 |
19 |
15155 |
316.0 |
1.2 |
0.685 |
6 |
0 |
0 |
0.089 |
32 |
|
[G39]A:1 |
20 |
1 |
462 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
15152 |
315.4 |
0.4 |
0.692 |
8 |
0 |
0 |
0.089 |
33 |
|
[G39]E:1 |
20 |
1 |
462 |
f |
E |
x,y,z |
1_555 |
38 |
17 |
15139 |
314.7 |
-0.6 |
0.629 |
8 |
0 |
0 |
0.089 |
34 |
|
[G39]L:1 |
20 |
1 |
459 |
f |
L |
x,y,z |
1_555 |
38 |
18 |
15118 |
313.6 |
0.2 |
0.677 |
8 |
0 |
0 |
0.089 |
| Average: |
318.9 |
0.2 |
0.670 |
8 |
0 |
0 |
0.089 |
| 4 |
35 |
|
H |
34 |
13 |
15125 |
◊ |
C |
x,y,z-1 |
1_554 |
38 |
11 |
15150 |
320.6 |
-0.1 |
0.670 |
1 |
1 |
0 |
0.000 |
36 |
|
L |
36 |
11 |
15118 |
◊ |
O |
x-1,y-1,z |
1_445 |
34 |
13 |
15176 |
316.9 |
0.0 |
0.684 |
3 |
1 |
0 |
0.000 |
37 |
|
K |
35 |
11 |
15155 |
◊ |
P |
x-1,y,z |
1_455 |
35 |
13 |
15151 |
316.0 |
-0.0 |
0.667 |
2 |
1 |
0 |
0.000 |
38 |
|
I |
37 |
11 |
15118 |
◊ |
N |
x-1,y-1,z+1 |
1_446 |
37 |
13 |
15133 |
315.2 |
0.0 |
0.681 |
2 |
1 |
0 |
0.000 |
39 |
|
J |
36 |
11 |
15129 |
◊ |
M |
x-1,y,z+1 |
1_456 |
33 |
13 |
15166 |
312.9 |
-0.0 |
0.673 |
2 |
1 |
0 |
0.000 |
40 |
|
E |
33 |
13 |
15139 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
15162 |
312.9 |
0.1 |
0.685 |
2 |
1 |
0 |
0.000 |
41 |
|
A |
38 |
11 |
15152 |
◊ |
F |
x,y-1,z |
1_545 |
34 |
13 |
15149 |
312.8 |
0.2 |
0.704 |
2 |
1 |
0 |
0.000 |
42 |
|
D |
37 |
11 |
15143 |
◊ |
G |
x,y-1,z+1 |
1_546 |
34 |
13 |
15163 |
311.4 |
0.2 |
0.694 |
3 |
1 |
0 |
0.000 |
| Average: |
314.8 |
0.0 |
0.682 |
2 |
1 |
0 |
0.000 |
| 5 |
43 |
|
N |
39 |
21 |
15133 |
◊ |
F |
x,y,z |
1_555 |
41 |
21 |
15149 |
310.5 |
-0.4 |
0.668 |
0 |
3 |
0 |
0.000 |
44 |
|
H |
40 |
21 |
15125 |
◊ |
P |
x,y,z-1 |
1_554 |
40 |
20 |
15151 |
306.4 |
-1.2 |
0.587 |
0 |
2 |
0 |
0.000 |
| Average: |
308.5 |
-0.8 |
0.627 |
0 |
3 |
0 |
0.000 |
| 6 |
45 |
|
[NAG]B:900 |
12 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
23 |
7 |
15162 |
159.3 |
4.2 |
0.451 |
1 |
0 |
0 |
0.000 |
46 |
|
[NAG]E:900 |
12 |
1 |
366 |
cf |
E |
x,y,z |
1_555 |
24 |
7 |
15139 |
158.9 |
4.2 |
0.455 |
1 |
0 |
0 |
0.000 |
47 |
|
[NAG]L:900 |
12 |
1 |
365 |
cf |
L |
x,y,z |
1_555 |
23 |
7 |
15118 |
158.5 |
4.2 |
0.451 |
1 |
0 |
0 |
0.000 |
48 |
|
[NAG]P:900 |
12 |
1 |
366 |
cf |
P |
x,y,z |
1_555 |
23 |
7 |
15151 |
158.4 |
4.3 |
0.457 |
1 |
0 |
0 |
0.000 |
49 |
|
[NAG]O:900 |
12 |
1 |
364 |
cf |
O |
x,y,z |
1_555 |
24 |
7 |
15176 |
158.2 |
4.2 |
0.454 |
1 |
0 |
0 |
0.000 |
50 |
|
[NAG]D:900 |
12 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
23 |
7 |
15143 |
158.2 |
4.2 |
0.452 |
1 |
0 |
0 |
0.000 |
51 |
|
[NAG]J:900 |
12 |
1 |
365 |
cf |
J |
x,y,z |
1_555 |
24 |
7 |
15129 |
158.2 |
4.2 |
0.452 |
1 |
0 |
0 |
0.000 |
52 |
|
[NAG]K:900 |
12 |
1 |
366 |
cf |
K |
x,y,z |
1_555 |
24 |
7 |
15155 |
158.0 |
4.3 |
0.456 |
1 |
0 |
0 |
0.000 |
53 |
|
[NAG]F:900 |
12 |
1 |
363 |
cf |
F |
x,y,z |
1_555 |
23 |
7 |
15149 |
157.9 |
4.2 |
0.455 |
1 |
0 |
0 |
0.000 |
54 |
|
[NAG]H:900 |
12 |
1 |
364 |
cf |
H |
x,y,z |
1_555 |
23 |
7 |
15125 |
157.8 |
4.2 |
0.442 |
1 |
0 |
0 |
0.000 |
55 |
|
[NAG]M:900 |
12 |
1 |
366 |
cf |
M |
x,y,z |
1_555 |
24 |
7 |
15166 |
157.7 |
4.2 |
0.440 |
1 |
0 |
0 |
0.000 |
56 |
|
[NAG]G:900 |
12 |
1 |
364 |
cf |
G |
x,y,z |
1_555 |
23 |
7 |
15163 |
157.7 |
4.2 |
0.452 |
1 |
0 |
0 |
0.000 |
57 |
|
[NAG]I:900 |
12 |
1 |
366 |
cf |
I |
x,y,z |
1_555 |
24 |
7 |
15118 |
157.6 |
4.2 |
0.455 |
1 |
0 |
0 |
0.000 |
58 |
|
[NAG]N:900 |
12 |
1 |
365 |
cf |
N |
x,y,z |
1_555 |
23 |
7 |
15133 |
157.0 |
4.2 |
0.444 |
1 |
0 |
0 |
0.000 |
59 |
|
[NAG]A:900 |
12 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
24 |
7 |
15152 |
156.3 |
4.2 |
0.454 |
1 |
0 |
0 |
0.000 |
60 |
|
[NAG]C:900 |
12 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
25 |
7 |
15150 |
155.9 |
4.2 |
0.457 |
1 |
0 |
0 |
0.000 |
| Average: |
157.8 |
4.2 |
0.452 |
1 |
0 |
0 |
0.000 |
| 7 |
61 |
|
A |
15 |
5 |
15152 |
◊ |
G |
x,y-1,z |
1_545 |
9 |
4 |
15163 |
97.2 |
0.7 |
0.755 |
1 |
0 |
0 |
0.000 |
62 |
|
E |
8 |
4 |
15139 |
◊ |
C |
x,y,z-1 |
1_554 |
15 |
5 |
15150 |
96.9 |
0.6 |
0.740 |
1 |
0 |
0 |
0.000 |
63 |
|
K |
15 |
5 |
15155 |
◊ |
M |
x-1,y,z |
1_455 |
8 |
4 |
15166 |
96.1 |
0.7 |
0.758 |
1 |
0 |
0 |
0.000 |
64 |
|
I |
15 |
5 |
15118 |
◊ |
O |
x-1,y-1,z+1 |
1_446 |
8 |
4 |
15176 |
95.2 |
0.6 |
0.754 |
1 |
0 |
0 |
0.000 |
65 |
|
L |
15 |
5 |
15118 |
◊ |
P |
x-1,y-1,z |
1_445 |
10 |
5 |
15151 |
95.2 |
0.6 |
0.749 |
2 |
0 |
0 |
0.000 |
66 |
|
F |
10 |
5 |
15149 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
15162 |
94.7 |
0.7 |
0.752 |
1 |
0 |
0 |
0.000 |
67 |
|
D |
15 |
5 |
15143 |
◊ |
H |
x,y-1,z+1 |
1_546 |
10 |
5 |
15125 |
94.1 |
0.6 |
0.744 |
1 |
0 |
0 |
0.000 |
68 |
|
J |
15 |
5 |
15129 |
◊ |
N |
x-1,y,z+1 |
1_456 |
9 |
4 |
15133 |
92.3 |
0.6 |
0.749 |
2 |
0 |
0 |
0.000 |
| Average: |
95.2 |
0.6 |
0.750 |
1 |
0 |
0 |
0.000 |
| 8 |
69 |
|
I |
12 |
6 |
15118 |
◊ |
P |
x-1,y-1,z |
1_445 |
14 |
6 |
15151 |
88.8 |
0.3 |
0.679 |
2 |
0 |
0 |
0.000 |
70 |
|
K |
12 |
6 |
15155 |
◊ |
N |
x-1,y,z+1 |
1_456 |
14 |
6 |
15133 |
86.7 |
0.3 |
0.670 |
2 |
0 |
0 |
0.000 |
71 |
|
F |
14 |
6 |
15149 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
15150 |
85.6 |
0.3 |
0.682 |
2 |
0 |
0 |
0.000 |
72 |
|
A |
12 |
6 |
15152 |
◊ |
H |
x,y-1,z+1 |
1_546 |
14 |
6 |
15125 |
82.5 |
0.4 |
0.689 |
2 |
0 |
0 |
0.000 |
73 |
|
E |
15 |
7 |
15139 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
6 |
15143 |
82.4 |
0.4 |
0.700 |
3 |
0 |
0 |
0.000 |
74 |
|
B |
13 |
6 |
15162 |
◊ |
G |
x,y-1,z |
1_545 |
14 |
6 |
15163 |
78.0 |
0.5 |
0.705 |
3 |
0 |
0 |
0.000 |
75 |
|
J |
12 |
6 |
15129 |
◊ |
O |
x-1,y-1,z+1 |
1_446 |
12 |
5 |
15176 |
75.4 |
0.5 |
0.721 |
2 |
0 |
0 |
0.000 |
76 |
|
L |
13 |
6 |
15118 |
◊ |
M |
x-1,y,z |
1_455 |
14 |
7 |
15166 |
75.4 |
0.5 |
0.718 |
2 |
0 |
0 |
0.000 |
| Average: |
81.8 |
0.4 |
0.695 |
2 |
0 |
0 |
0.000 |
| 9 |
77 |
|
[YT3]P:4 |
1 |
1 |
196 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
15166 |
48.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
78 |
|
[YT3]E:2 |
1 |
1 |
196 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
15163 |
47.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
79 |
|
[YT3]A:467 |
1 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15152 |
47.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
80 |
|
[YT3]J:3 |
1 |
1 |
196 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
15155 |
46.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
81 |
|
[YT3]P:4 |
1 |
1 |
196 |
◊ |
P |
x,y,z |
1_555 |
6 |
2 |
15151 |
46.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
82 |
|
[YT3]E:2 |
1 |
1 |
196 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
15139 |
45.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
83 |
|
[YT3]E:2 |
1 |
1 |
196 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
15149 |
45.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
84 |
|
[YT3]A:467 |
1 |
1 |
196 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
15143 |
45.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
85 |
|
[YT3]P:4 |
1 |
1 |
196 |
◊ |
O |
x,y,z |
1_555 |
6 |
2 |
15176 |
45.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
86 |
|
[YT3]P:4 |
1 |
1 |
196 |
◊ |
N |
x,y,z |
1_555 |
6 |
2 |
15133 |
44.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.045 |
87 |
|
[YT3]J:3 |
1 |
1 |
196 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
15129 |
44.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
88 |
|
[YT3]J:3 |
1 |
1 |
196 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
15118 |
44.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
89 |
|
[YT3]A:467 |
1 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
15150 |
44.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
90 |
|
[YT3]E:2 |
1 |
1 |
196 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
15125 |
44.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
91 |
|
[YT3]A:467 |
1 |
1 |
196 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
15162 |
43.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.045 |
92 |
|
[YT3]J:3 |
1 |
1 |
196 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
15118 |
42.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.045 |
| Average: |
45.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 10 |
93 |
|
[CA]H:1000 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
15125 |
44.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.312 |
94 |
|
[CA]B:1000 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
15162 |
44.7 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
95 |
|
[CA]L:1000 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
9 |
6 |
15118 |
44.6 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
96 |
|
[CA]D:1000 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
15143 |
44.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.312 |
97 |
|
[CA]C:1000 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
15150 |
44.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.312 |
98 |
|
[CA]A:1000 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
15152 |
44.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.312 |
99 |
|
[CA]J:1000 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
8 |
6 |
15129 |
44.4 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
100 |
|
[CA]F:1000 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
15149 |
44.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.312 |
101 |
|
[CA]E:1000 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
6 |
15139 |
44.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.312 |
102 |
|
[CA]K:1000 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
6 |
6 |
15155 |
44.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.312 |
103 |
|
[CA]O:1000 |
1 |
1 |
85 |
f |
O |
x,y,z |
1_555 |
8 |
6 |
15176 |
44.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.312 |
104 |
|
[CA]N:1000 |
1 |
1 |
85 |
f |
N |
x,y,z |
1_555 |
7 |
6 |
15133 |
44.0 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
105 |
|
[CA]I:1000 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
6 |
6 |
15118 |
44.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.312 |
106 |
|
[CA]M:1000 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
7 |
5 |
15166 |
44.0 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
107 |
|
[CA]G:1000 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
8 |
7 |
15163 |
44.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.312 |
108 |
|
[CA]P:1000 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
7 |
6 |
15151 |
43.9 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
| Average: |
44.3 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.312 |
| 11 |
109 |
|
M |
5 |
1 |
15166 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
15150 |
26.4 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
110 |
|
I |
4 |
2 |
15118 |
◊ |
G |
x-1,y-1,z+1 |
1_446 |
5 |
1 |
15163 |
25.9 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
111 |
|
A |
4 |
2 |
15152 |
◊ |
O |
x,y-1,z |
1_545 |
5 |
1 |
15176 |
25.9 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
112 |
|
K |
4 |
2 |
15155 |
◊ |
E |
x-1,y,z+1 |
1_456 |
5 |
1 |
15139 |
25.4 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
| Average: |
25.9 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
| 12 |
113 |
|
[G39]N:1 |
2 |
1 |
464 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
15149 |
24.0 |
-0.5 |
0.414 |
0 |
0 |
0 |
0.000 |
| 13 |
114 |
|
H |
3 |
1 |
15125 |
◊ |
[G39]P:1 |
x,y,z-1 |
1_554 |
1 |
1 |
474 |
22.0 |
-0.5 |
0.326 |
0 |
0 |
0 |
0.000 |
115 |
|
[G39]F:1 |
1 |
1 |
473 |
◊ |
N |
x,y,z |
1_555 |
3 |
1 |
15133 |
18.0 |
-0.4 |
0.377 |
0 |
0 |
0 |
0.000 |
116 |
|
[G39]H:1 |
1 |
1 |
463 |
◊ |
P |
x,y,z-1 |
1_554 |
3 |
1 |
15151 |
14.2 |
-0.3 |
0.392 |
0 |
0 |
0 |
0.000 |
| Average: |
18.1 |
-0.4 |
0.365 |
0 |
0 |
0 |
0.000 |
| 14 |
117 |
|
P |
2 |
2 |
15151 |
◊ |
N |
x,y,z |
1_555 |
2 |
2 |
15133 |
16.5 |
0.5 |
0.856 |
0 |
0 |
0 |
0.000 |
118 |
|
K |
2 |
2 |
15155 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
15118 |
16.0 |
0.4 |
0.851 |
0 |
0 |
0 |
0.000 |
119 |
|
G |
2 |
2 |
15163 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
15139 |
15.7 |
0.4 |
0.846 |
0 |
0 |
0 |
0.000 |
120 |
|
C |
2 |
2 |
15150 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15152 |
15.3 |
0.4 |
0.846 |
0 |
0 |
0 |
0.000 |
121 |
|
D |
2 |
2 |
15143 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15162 |
14.8 |
0.4 |
0.843 |
0 |
0 |
0 |
0.000 |
122 |
|
O |
2 |
2 |
15176 |
◊ |
M |
x,y,z |
1_555 |
2 |
2 |
15166 |
14.7 |
0.4 |
0.839 |
0 |
0 |
0 |
0.000 |
123 |
|
H |
2 |
2 |
15125 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
15149 |
14.3 |
0.4 |
0.839 |
0 |
0 |
0 |
0.000 |
124 |
|
L |
2 |
2 |
15118 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
15129 |
14.3 |
0.4 |
0.838 |
0 |
0 |
0 |
0.000 |
| Average: |
15.2 |
0.4 |
0.845 |
0 |
0 |
0 |
0.000 |
|