| ## |
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 |
197 |
47 |
10172 |
◊ |
A |
x,y,z |
1_555 |
202 |
45 |
10123 |
1923.7 |
-18.8 |
0.476 |
29 |
24 |
0 |
0.881 |
2 |
|
G |
201 |
47 |
10030 |
◊ |
C |
x,y,z |
1_555 |
203 |
46 |
10083 |
1918.6 |
-16.7 |
0.623 |
33 |
25 |
0 |
0.881 |
3 |
|
I |
198 |
44 |
9917 |
◊ |
H |
x,y,z |
1_555 |
201 |
46 |
10045 |
1908.2 |
-16.8 |
0.672 |
32 |
25 |
0 |
0.881 |
4 |
|
L |
200 |
46 |
9950 |
◊ |
K |
x,y,z |
1_555 |
201 |
47 |
10175 |
1907.5 |
-18.3 |
0.602 |
30 |
24 |
0 |
0.881 |
5 |
|
J |
202 |
46 |
9953 |
◊ |
F |
x,y,z |
1_555 |
202 |
47 |
10059 |
1903.5 |
-17.1 |
0.672 |
31 |
23 |
0 |
0.881 |
6 |
|
E |
193 |
46 |
10177 |
◊ |
D |
x,y,z |
1_555 |
202 |
46 |
10136 |
1892.4 |
-17.7 |
0.617 |
31 |
24 |
0 |
0.881 |
| Average: |
1909.0 |
-17.6 |
0.610 |
31 |
24 |
0 |
0.881 |
| 2 |
7 |
|
K |
106 |
25 |
10175 |
◊ |
C |
x,y,z |
1_555 |
105 |
25 |
10083 |
987.4 |
-12.9 |
0.334 |
11 |
12 |
0 |
0.468 |
8 |
|
H |
99 |
25 |
10045 |
◊ |
E |
x,y,z |
1_555 |
104 |
26 |
10177 |
983.4 |
-12.8 |
0.323 |
10 |
11 |
0 |
0.468 |
9 |
|
I |
100 |
26 |
9917 |
◊ |
B |
x,y,z |
1_555 |
103 |
26 |
10172 |
980.8 |
-12.5 |
0.324 |
11 |
8 |
0 |
0.468 |
10 |
|
L |
102 |
25 |
9950 |
◊ |
F |
x,y,z |
1_555 |
102 |
25 |
10059 |
966.0 |
-12.5 |
0.370 |
9 |
10 |
0 |
0.468 |
11 |
|
D |
104 |
26 |
10136 |
◊ |
A |
x,y,z |
1_555 |
101 |
25 |
10123 |
963.3 |
-13.0 |
0.326 |
9 |
9 |
0 |
0.468 |
12 |
|
J |
101 |
25 |
9953 |
◊ |
G |
x,y,z |
1_555 |
108 |
26 |
10030 |
943.7 |
-12.3 |
0.379 |
8 |
11 |
0 |
0.468 |
| Average: |
970.8 |
-12.7 |
0.343 |
10 |
10 |
0 |
0.468 |
| 3 |
13 |
|
E |
37 |
8 |
10177 |
◊ |
B |
x,y-1,z |
1_545 |
37 |
9 |
10172 |
355.5 |
-0.8 |
0.769 |
7 |
4 |
0 |
0.000 |
| 4 |
14 |
|
G |
37 |
9 |
10030 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
8 |
10123 |
322.9 |
-2.4 |
0.600 |
4 |
4 |
0 |
0.000 |
15 |
|
C |
32 |
8 |
10083 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
10172 |
321.9 |
-2.3 |
0.601 |
5 |
4 |
0 |
0.000 |
| Average: |
322.4 |
-2.4 |
0.600 |
5 |
4 |
0 |
0.000 |
| 5 |
16 |
|
F |
29 |
10 |
10059 |
◊ |
E |
x-1,y+1,z-1 |
1_464 |
39 |
15 |
10177 |
282.7 |
-2.7 |
0.572 |
1 |
2 |
0 |
0.000 |
| 6 |
17 |
|
H |
27 |
7 |
10045 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
7 |
10123 |
245.4 |
-3.1 |
0.441 |
0 |
0 |
0 |
0.000 |
18 |
|
F |
27 |
7 |
10059 |
◊ |
C |
x-1,y,z |
1_455 |
24 |
6 |
10083 |
215.6 |
-3.6 |
0.349 |
0 |
0 |
0 |
0.000 |
| Average: |
230.5 |
-3.4 |
0.395 |
0 |
0 |
0 |
0.000 |
| 7 |
19 |
|
[PEG]G:199 |
7 |
1 |
257 |
f |
G |
x,y,z |
1_555 |
25 |
15 |
10030 |
180.6 |
3.0 |
0.396 |
2 |
0 |
0 |
0.000 |
20 |
|
[PEG]K:198 |
7 |
1 |
255 |
f |
K |
x,y,z |
1_555 |
25 |
15 |
10175 |
174.9 |
2.6 |
0.389 |
1 |
0 |
0 |
0.000 |
| Average: |
177.7 |
2.8 |
0.392 |
2 |
0 |
0 |
0.000 |
| 8 |
21 |
|
[PEG]B:198 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
25 |
15 |
10172 |
179.8 |
2.7 |
0.358 |
2 |
0 |
0 |
0.000 |
| 9 |
22 |
|
[PEG]C:199 |
7 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
26 |
16 |
10083 |
176.7 |
3.5 |
0.464 |
2 |
0 |
0 |
0.000 |
23 |
|
[PEG]H:199 |
7 |
1 |
257 |
f |
H |
x,y,z |
1_555 |
24 |
15 |
10045 |
175.4 |
3.6 |
0.537 |
2 |
0 |
0 |
0.000 |
| Average: |
176.1 |
3.5 |
0.500 |
2 |
0 |
0 |
0.000 |
| 10 |
24 |
|
[PEG]F:199 |
7 |
1 |
257 |
f |
F |
x,y,z |
1_555 |
26 |
15 |
10059 |
176.5 |
3.2 |
0.489 |
2 |
0 |
0 |
0.000 |
| 11 |
25 |
|
[PEG]A:199 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
28 |
17 |
10123 |
176.5 |
4.0 |
0.535 |
2 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[PEG]J:199 |
7 |
1 |
257 |
f |
J |
x,y,z |
1_555 |
27 |
15 |
9953 |
173.7 |
1.8 |
0.299 |
2 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[PEG]I:197 |
7 |
1 |
262 |
f |
I |
x,y,z |
1_555 |
23 |
14 |
9917 |
173.5 |
3.7 |
0.500 |
3 |
0 |
0 |
0.000 |
| 14 |
28 |
|
[PEG]D:198 |
7 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
10136 |
169.8 |
2.8 |
0.409 |
2 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[PEG]E:199 |
7 |
1 |
260 |
f |
E |
x,y,z |
1_555 |
24 |
14 |
10177 |
166.2 |
3.0 |
0.348 |
2 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[PGE]D:197 |
8 |
1 |
338 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
10136 |
139.5 |
3.2 |
0.316 |
3 |
0 |
0 |
0.000 |
31 |
|
[PGE]F:197 |
9 |
1 |
334 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
10059 |
137.7 |
2.8 |
0.243 |
2 |
0 |
0 |
0.000 |
32 |
|
[PGE]B:197 |
8 |
1 |
335 |
f |
I |
x,y,z |
1_555 |
20 |
10 |
9917 |
137.0 |
3.1 |
0.354 |
4 |
0 |
0 |
0.000 |
33 |
|
[PGE]G:197 |
9 |
1 |
338 |
f |
J |
x,y,z |
1_555 |
21 |
10 |
9953 |
135.4 |
2.7 |
0.250 |
4 |
0 |
0 |
0.000 |
34 |
|
[PGE]E:197 |
9 |
1 |
331 |
f |
H |
x,y,z |
1_555 |
20 |
10 |
10045 |
133.2 |
2.7 |
0.260 |
1 |
0 |
0 |
0.000 |
| Average: |
136.6 |
2.9 |
0.284 |
3 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[PGE]C:197 |
9 |
1 |
334 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
10083 |
134.6 |
2.5 |
0.227 |
3 |
0 |
0 |
0.000 |
| 18 |
36 |
|
[PGE]G:197 |
8 |
1 |
338 |
◊ |
G |
x,y,z |
1_555 |
20 |
10 |
10030 |
133.3 |
4.4 |
0.488 |
3 |
0 |
0 |
0.000 |
37 |
|
[PGE]E:197 |
9 |
1 |
331 |
◊ |
E |
x,y,z |
1_555 |
22 |
10 |
10177 |
131.6 |
3.9 |
0.384 |
3 |
0 |
0 |
0.000 |
38 |
|
[PGE]F:197 |
9 |
1 |
334 |
◊ |
L |
x,y,z |
1_555 |
20 |
10 |
9950 |
131.2 |
3.0 |
0.281 |
2 |
0 |
0 |
0.000 |
39 |
|
[PGE]B:197 |
8 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
21 |
10 |
10172 |
130.4 |
2.9 |
0.325 |
3 |
0 |
0 |
0.000 |
40 |
|
[PGE]D:197 |
9 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
10123 |
127.4 |
3.9 |
0.330 |
2 |
0 |
0 |
0.000 |
| Average: |
130.8 |
3.6 |
0.361 |
3 |
0 |
0 |
0.000 |
| 19 |
41 |
|
[PGE]C:197 |
9 |
1 |
334 |
◊ |
K |
x,y,z |
1_555 |
20 |
10 |
10175 |
132.7 |
3.7 |
0.322 |
2 |
0 |
0 |
0.000 |
| 20 |
42 |
|
J |
14 |
6 |
9953 |
◊ |
I |
x,y,z-1 |
1_554 |
17 |
6 |
9917 |
126.5 |
-0.2 |
0.674 |
2 |
2 |
0 |
0.000 |
| 21 |
43 |
|
[PEG]A:197 |
6 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
10123 |
116.7 |
2.9 |
0.445 |
1 |
0 |
0 |
0.000 |
44 |
|
[PEG]J:198 |
6 |
1 |
255 |
◊ |
J |
x,y,z |
1_555 |
19 |
6 |
9953 |
102.9 |
2.5 |
0.379 |
1 |
0 |
0 |
0.000 |
| Average: |
109.8 |
2.7 |
0.412 |
1 |
0 |
0 |
0.000 |
| 22 |
45 |
|
H |
15 |
5 |
10045 |
◊ |
L |
x,y-1,z+1 |
1_546 |
11 |
4 |
9950 |
115.3 |
-0.2 |
0.705 |
3 |
3 |
0 |
0.000 |
| 23 |
46 |
|
[PEG]C:200 |
6 |
1 |
261 |
◊ |
K |
x,y,z |
1_555 |
17 |
6 |
10175 |
110.0 |
3.0 |
0.445 |
1 |
0 |
0 |
0.000 |
| 24 |
47 |
|
[PEG]E:200 |
6 |
1 |
262 |
◊ |
H |
x,y,z |
1_555 |
16 |
6 |
10045 |
106.3 |
2.9 |
0.458 |
1 |
0 |
0 |
0.000 |
| 25 |
48 |
|
[PEG]E:198 |
6 |
1 |
265 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
10177 |
102.3 |
2.1 |
0.357 |
1 |
0 |
0 |
0.000 |
49 |
|
[PEG]B:199 |
6 |
1 |
257 |
◊ |
I |
x,y,z |
1_555 |
18 |
5 |
9917 |
100.6 |
1.5 |
0.309 |
1 |
0 |
0 |
0.000 |
| Average: |
101.4 |
1.8 |
0.333 |
1 |
0 |
0 |
0.000 |
| 26 |
50 |
|
[PEG]C:198 |
6 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
10083 |
100.4 |
2.6 |
0.441 |
1 |
0 |
0 |
0.000 |
| 27 |
51 |
|
[PGE]H:197 |
7 |
1 |
331 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
6 |
10123 |
97.8 |
2.9 |
0.339 |
1 |
0 |
0 |
0.000 |
| 28 |
52 |
|
[PEG]F:198 |
4 |
1 |
262 |
◊ |
L |
x,y,z |
1_555 |
14 |
5 |
9950 |
94.3 |
1.5 |
0.410 |
1 |
0 |
0 |
0.000 |
53 |
|
[PEG]G:198 |
4 |
1 |
262 |
◊ |
G |
x,y,z |
1_555 |
17 |
5 |
10030 |
90.5 |
1.5 |
0.435 |
1 |
0 |
0 |
0.000 |
| Average: |
92.4 |
1.5 |
0.422 |
1 |
0 |
0 |
0.000 |
| 29 |
54 |
|
H |
9 |
4 |
10045 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
10136 |
91.0 |
-0.6 |
0.668 |
1 |
0 |
0 |
0.072 |
55 |
|
I |
14 |
4 |
9917 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
10177 |
90.5 |
-0.7 |
0.613 |
1 |
0 |
0 |
0.072 |
56 |
|
J |
8 |
3 |
9953 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
10083 |
84.6 |
-1.2 |
0.427 |
1 |
0 |
0 |
0.072 |
57 |
|
L |
11 |
3 |
9950 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10083 |
82.2 |
-1.0 |
0.496 |
1 |
0 |
0 |
0.072 |
58 |
|
K |
9 |
3 |
10175 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
10030 |
82.2 |
-1.1 |
0.506 |
1 |
0 |
0 |
0.072 |
59 |
|
G |
9 |
4 |
10030 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
10059 |
82.2 |
-0.8 |
0.581 |
1 |
0 |
0 |
0.072 |
60 |
|
K |
11 |
3 |
10175 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
10059 |
82.1 |
-1.0 |
0.499 |
1 |
0 |
0 |
0.072 |
61 |
|
E |
8 |
3 |
10177 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10123 |
81.9 |
-1.0 |
0.453 |
1 |
0 |
0 |
0.072 |
62 |
|
I |
8 |
3 |
9917 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10123 |
81.5 |
-1.1 |
0.452 |
1 |
0 |
0 |
0.072 |
63 |
|
D |
8 |
3 |
10136 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
10172 |
81.1 |
-1.0 |
0.479 |
1 |
0 |
0 |
0.072 |
64 |
|
H |
12 |
3 |
10045 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
10172 |
77.3 |
-1.0 |
0.512 |
1 |
0 |
0 |
0.072 |
65 |
|
L |
8 |
3 |
9950 |
◊ |
J |
x,y,z |
1_555 |
11 |
3 |
9953 |
77.3 |
-0.9 |
0.535 |
1 |
0 |
0 |
0.072 |
| Average: |
82.8 |
-1.0 |
0.518 |
1 |
0 |
0 |
0.072 |
| 30 |
66 |
|
[PEG]A:198 |
6 |
1 |
263 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
10136 |
89.2 |
2.1 |
0.365 |
1 |
0 |
0 |
0.000 |
| 31 |
67 |
|
[PGE]H:197 |
7 |
1 |
331 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
10045 |
87.1 |
2.8 |
0.333 |
0 |
0 |
0 |
0.000 |
| 32 |
68 |
|
[PEG]L:197 |
5 |
1 |
256 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
10059 |
80.6 |
0.1 |
0.225 |
1 |
0 |
0 |
0.003 |
| 33 |
69 |
|
[PEG]K:197 |
4 |
1 |
259 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
10175 |
76.3 |
2.0 |
0.459 |
1 |
0 |
0 |
0.000 |
| 34 |
70 |
|
[PEG]J:197 |
6 |
1 |
255 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
10059 |
73.0 |
1.7 |
0.307 |
1 |
0 |
0 |
0.000 |
| 35 |
71 |
|
[PEG]J:197 |
6 |
1 |
255 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
5 |
10083 |
71.3 |
0.4 |
0.182 |
0 |
0 |
0 |
0.000 |
| 36 |
72 |
|
[PEG]H:198 |
4 |
1 |
251 |
f |
D |
x-1,y,z |
1_455 |
11 |
3 |
10136 |
68.5 |
0.1 |
0.246 |
1 |
0 |
0 |
0.003 |
| 37 |
73 |
|
[PEG]H:198 |
5 |
1 |
251 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
10045 |
67.2 |
2.0 |
0.407 |
0 |
0 |
0 |
0.000 |
| 38 |
74 |
|
J |
8 |
4 |
9953 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
3 |
10083 |
66.9 |
-1.5 |
0.336 |
0 |
0 |
0 |
0.000 |
75 |
|
I |
7 |
4 |
9917 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
10123 |
66.8 |
-1.0 |
0.382 |
0 |
0 |
0 |
0.000 |
| Average: |
66.8 |
-1.2 |
0.359 |
0 |
0 |
0 |
0.000 |
| 39 |
76 |
|
F |
7 |
2 |
10059 |
f |
[PEG]K:197 |
x-1,y,z |
1_455 |
4 |
1 |
259 |
63.0 |
0.8 |
0.297 |
0 |
0 |
0 |
0.000 |
| 40 |
77 |
|
K |
5 |
3 |
10175 |
◊ |
D |
x-1,y+1,z |
1_465 |
11 |
6 |
10136 |
62.6 |
-1.4 |
0.356 |
0 |
0 |
0 |
0.000 |
| 41 |
78 |
|
[PGE]H:197 |
3 |
1 |
331 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
9917 |
57.5 |
3.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 42 |
79 |
|
[PEG]J:197 |
6 |
1 |
255 |
◊ |
J |
x,y,z |
1_555 |
7 |
1 |
9953 |
52.0 |
2.8 |
0.368 |
0 |
0 |
0 |
0.000 |
| 43 |
80 |
|
[PEG]F:198 |
7 |
1 |
262 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
10059 |
48.3 |
1.7 |
0.158 |
3 |
0 |
0 |
0.000 |
| 44 |
81 |
|
[PEG]A:198 |
6 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
10123 |
47.2 |
1.5 |
0.191 |
3 |
0 |
0 |
0.000 |
| 45 |
82 |
|
[PEG]L:197 |
5 |
1 |
256 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
9950 |
47.1 |
2.2 |
0.301 |
1 |
0 |
0 |
0.000 |
| 46 |
83 |
|
[PEG]G:198 |
6 |
1 |
262 |
f |
J |
x,y,z |
1_555 |
3 |
1 |
9953 |
46.1 |
1.6 |
0.192 |
2 |
0 |
0 |
0.000 |
| 47 |
84 |
|
[PEG]E:200 |
7 |
1 |
262 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10177 |
45.9 |
1.6 |
0.179 |
1 |
0 |
0 |
0.000 |
| 48 |
85 |
|
[PEG]E:198 |
6 |
1 |
265 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
10045 |
45.5 |
1.1 |
0.173 |
3 |
0 |
0 |
0.000 |
86 |
|
[PEG]J:198 |
3 |
1 |
255 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
10030 |
41.5 |
1.3 |
0.298 |
1 |
0 |
0 |
0.000 |
87 |
|
[PEG]B:199 |
5 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
10172 |
41.4 |
1.6 |
0.223 |
1 |
0 |
0 |
0.000 |
| Average: |
42.8 |
1.3 |
0.231 |
2 |
0 |
0 |
0.000 |
| 49 |
88 |
|
[PEG]C:200 |
6 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10083 |
45.3 |
1.4 |
0.198 |
2 |
0 |
0 |
0.000 |
| 50 |
89 |
|
[PEG]A:197 |
6 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
10136 |
43.9 |
0.9 |
0.153 |
2 |
0 |
0 |
0.000 |
| 51 |
90 |
|
[PEG]C:198 |
5 |
1 |
260 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
10175 |
41.5 |
2.0 |
0.269 |
1 |
0 |
0 |
0.000 |
| 52 |
91 |
|
[PEG]A:198 |
3 |
1 |
263 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
10177 |
38.7 |
1.3 |
0.446 |
0 |
0 |
0 |
0.000 |
| 53 |
92 |
|
[PEG]C:200 |
2 |
1 |
261 |
f |
L |
x,y,z |
1_555 |
6 |
3 |
9950 |
38.6 |
0.5 |
0.419 |
0 |
0 |
0 |
0.000 |
| 54 |
93 |
|
[PEG]J:198 |
2 |
1 |
255 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10059 |
36.8 |
0.8 |
0.412 |
0 |
0 |
0 |
0.000 |
94 |
|
[PEG]A:197 |
2 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10172 |
30.0 |
0.9 |
0.509 |
0 |
0 |
0 |
0.000 |
| Average: |
33.4 |
0.8 |
0.460 |
0 |
0 |
0 |
0.000 |
| 55 |
95 |
|
[PEG]E:198 |
2 |
1 |
265 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
10136 |
35.6 |
1.2 |
0.552 |
0 |
0 |
0 |
0.000 |
96 |
|
[PEG]B:199 |
3 |
1 |
257 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
10045 |
30.9 |
1.0 |
0.393 |
0 |
0 |
0 |
0.000 |
| Average: |
33.2 |
1.1 |
0.473 |
0 |
0 |
0 |
0.000 |
| 56 |
97 |
|
[PEG]F:198 |
2 |
1 |
262 |
◊ |
K |
x,y,z |
1_555 |
5 |
2 |
10175 |
35.5 |
1.2 |
0.544 |
0 |
0 |
0 |
0.000 |
98 |
|
[PEG]G:198 |
2 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10083 |
35.1 |
1.3 |
0.564 |
0 |
0 |
0 |
0.000 |
99 |
|
[PEG]L:197 |
4 |
1 |
256 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
9953 |
33.6 |
1.2 |
0.373 |
0 |
0 |
0 |
0.000 |
| Average: |
34.7 |
1.2 |
0.494 |
0 |
0 |
0 |
0.000 |
| 57 |
100 |
|
[PEG]C:198 |
3 |
1 |
260 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
10030 |
31.3 |
0.8 |
0.367 |
0 |
0 |
0 |
0.000 |
| 58 |
101 |
|
[PEG]E:200 |
2 |
1 |
262 |
f |
I |
x,y,z |
1_555 |
4 |
1 |
9917 |
29.7 |
0.8 |
0.492 |
0 |
0 |
0 |
0.000 |
| 59 |
102 |
|
H |
2 |
1 |
10045 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
10136 |
19.5 |
-0.6 |
0.246 |
0 |
0 |
0 |
0.000 |
103 |
|
F |
2 |
1 |
10059 |
◊ |
K |
x-1,y,z |
1_455 |
2 |
1 |
10175 |
18.9 |
-0.6 |
0.250 |
0 |
0 |
0 |
0.000 |
| Average: |
19.2 |
-0.6 |
0.248 |
0 |
0 |
0 |
0.000 |
| 60 |
104 |
|
[PGE]H:197 |
2 |
1 |
331 |
f |
[PEG]B:199 |
x,y,z |
1_555 |
2 |
1 |
257 |
18.8 |
1.0 |
0.262 |
0 |
0 |
0 |
0.000 |
| 61 |
105 |
|
F |
3 |
1 |
10059 |
◊ |
H |
x-1,y+1,z-1 |
1_464 |
1 |
1 |
10045 |
14.0 |
-0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
| 62 |
106 |
|
[PEG]J:198 |
2 |
1 |
255 |
f |
[PEG]J:197 |
x,y,z |
1_555 |
1 |
1 |
255 |
6.7 |
0.3 |
0.143 |
0 |
0 |
0 |
0.000 |
| 63 |
107 |
|
C |
1 |
1 |
10083 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
10123 |
3.7 |
0.2 |
0.832 |
0 |
0 |
0 |
0.000 |
108 |
|
C |
1 |
1 |
10083 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10123 |
1.1 |
0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
2.4 |
0.1 |
0.800 |
0 |
0 |
0 |
0.000 |
|