## |
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 |
|
N |
210 |
56 |
11136 |
◊ |
B |
x,y,z |
1_555 |
171 |
46 |
11112 |
1878.4 |
-18.3 |
0.166 |
23 |
9 |
0 |
0.588 |
2 |
|
K |
192 |
48 |
10928 |
◊ |
I |
x,y,z |
1_555 |
161 |
44 |
10716 |
1737.8 |
-14.8 |
0.239 |
18 |
9 |
0 |
0.588 |
3 |
|
M |
192 |
47 |
10970 |
◊ |
K |
x,y,z |
1_555 |
163 |
42 |
10928 |
1693.8 |
-15.1 |
0.211 |
20 |
8 |
0 |
0.588 |
4 |
|
D |
158 |
43 |
11084 |
◊ |
B |
x,y,z |
1_555 |
186 |
51 |
11112 |
1670.3 |
-12.7 |
0.289 |
21 |
10 |
0 |
0.588 |
5 |
|
G |
184 |
48 |
11138 |
◊ |
E |
x,y,z |
1_555 |
159 |
42 |
10887 |
1667.5 |
-12.1 |
0.333 |
19 |
11 |
0 |
0.588 |
6 |
|
M |
158 |
43 |
10970 |
◊ |
A |
x,y,z |
1_555 |
185 |
48 |
10716 |
1667.2 |
-17.6 |
0.124 |
17 |
10 |
0 |
0.588 |
7 |
|
C |
184 |
48 |
10914 |
◊ |
A |
x,y,z |
1_555 |
164 |
41 |
10716 |
1656.8 |
-12.7 |
0.274 |
19 |
10 |
0 |
0.588 |
8 |
|
L |
154 |
42 |
10988 |
◊ |
J |
x,y,z |
1_555 |
172 |
46 |
10583 |
1647.8 |
-15.7 |
0.170 |
18 |
9 |
0 |
0.588 |
9 |
|
N |
158 |
39 |
11136 |
◊ |
L |
x,y,z |
1_555 |
176 |
44 |
10988 |
1647.3 |
-15.2 |
0.187 |
21 |
8 |
0 |
0.588 |
10 |
|
J |
151 |
40 |
10583 |
◊ |
H |
x,y,z |
1_555 |
179 |
48 |
10858 |
1632.7 |
-14.4 |
0.227 |
20 |
9 |
0 |
0.588 |
11 |
|
E |
172 |
45 |
10887 |
◊ |
C |
x,y,z |
1_555 |
154 |
45 |
10914 |
1626.4 |
-15.7 |
0.180 |
17 |
9 |
0 |
0.588 |
12 |
|
F |
160 |
41 |
10657 |
◊ |
D |
x,y,z |
1_555 |
180 |
47 |
11084 |
1625.1 |
-14.7 |
0.244 |
19 |
10 |
0 |
0.588 |
13 |
|
H |
155 |
44 |
10858 |
◊ |
F |
x,y,z |
1_555 |
170 |
46 |
10657 |
1589.9 |
-15.5 |
0.195 |
15 |
9 |
0 |
0.588 |
14 |
|
I |
182 |
51 |
10716 |
◊ |
G |
x,y,z |
1_555 |
142 |
42 |
11138 |
1565.7 |
-15.7 |
0.140 |
19 |
8 |
0 |
0.588 |
Average: |
1664.8 |
-15.0 |
0.213 |
19 |
9 |
0 |
0.588 |
2 |
15 |
|
F |
76 |
22 |
10657 |
◊ |
E |
x,y,z |
1_555 |
70 |
22 |
10887 |
720.9 |
-2.7 |
0.611 |
20 |
0 |
0 |
0.119 |
16 |
|
L |
72 |
22 |
10988 |
◊ |
K |
x,y,z |
1_555 |
71 |
22 |
10928 |
716.6 |
-2.2 |
0.597 |
19 |
0 |
0 |
0.119 |
17 |
|
N |
72 |
22 |
11136 |
◊ |
M |
x,y,z |
1_555 |
69 |
22 |
10970 |
714.9 |
-2.4 |
0.578 |
22 |
0 |
0 |
0.119 |
18 |
|
D |
71 |
22 |
11084 |
◊ |
C |
x,y,z |
1_555 |
71 |
22 |
10914 |
707.4 |
-2.3 |
0.566 |
20 |
0 |
0 |
0.119 |
19 |
|
H |
71 |
22 |
10858 |
◊ |
G |
x,y,z |
1_555 |
73 |
22 |
11138 |
696.0 |
-1.9 |
0.556 |
19 |
0 |
0 |
0.119 |
20 |
|
B |
75 |
21 |
11112 |
◊ |
A |
x,y,z |
1_555 |
74 |
22 |
10716 |
691.6 |
-1.6 |
0.622 |
19 |
0 |
0 |
0.119 |
21 |
|
J |
73 |
21 |
10583 |
◊ |
I |
x,y,z |
1_555 |
72 |
22 |
10716 |
680.0 |
-2.0 |
0.574 |
21 |
0 |
0 |
0.119 |
Average: |
703.9 |
-2.1 |
0.586 |
20 |
0 |
0 |
0.119 |
3 |
22 |
|
M |
46 |
14 |
10970 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
50 |
15 |
11084 |
440.2 |
2.8 |
0.838 |
11 |
4 |
0 |
0.000 |
23 |
|
G |
50 |
15 |
11138 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
48 |
13 |
10988 |
432.1 |
3.4 |
0.846 |
11 |
4 |
0 |
0.000 |
Average: |
436.1 |
3.1 |
0.842 |
11 |
4 |
0 |
0.000 |
4 |
24 |
|
N |
20 |
7 |
11136 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
6 |
10914 |
162.8 |
0.8 |
0.685 |
1 |
3 |
0 |
0.000 |
5 |
25 |
|
[PEG]B:196 |
7 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
11112 |
160.5 |
3.4 |
0.410 |
1 |
0 |
0 |
0.000 |
6 |
26 |
|
[PEG]H:196 |
7 |
1 |
258 |
◊ |
H |
x,y,z |
1_555 |
23 |
8 |
10858 |
159.5 |
3.1 |
0.364 |
2 |
0 |
0 |
0.000 |
7 |
27 |
|
E |
21 |
8 |
10887 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
25 |
7 |
10657 |
156.6 |
0.8 |
0.741 |
0 |
0 |
0 |
0.000 |
8 |
28 |
|
[PEG]I:198 |
7 |
1 |
262 |
f |
I |
x,y,z |
1_555 |
20 |
8 |
10716 |
136.4 |
2.1 |
0.259 |
1 |
0 |
0 |
0.000 |
9 |
29 |
|
[PEG]C:198 |
7 |
1 |
263 |
◊ |
C |
x,y,z |
1_555 |
17 |
13 |
10914 |
132.7 |
2.9 |
0.336 |
2 |
0 |
0 |
0.000 |
10 |
30 |
|
[PEG]G:196 |
7 |
1 |
255 |
◊ |
G |
x,y,z |
1_555 |
19 |
5 |
11138 |
127.4 |
2.6 |
0.319 |
2 |
0 |
0 |
0.000 |
11 |
31 |
|
J |
15 |
5 |
10583 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
19 |
7 |
11112 |
127.0 |
0.8 |
0.737 |
1 |
1 |
0 |
0.000 |
32 |
|
I |
7 |
4 |
10716 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
10716 |
74.6 |
0.7 |
0.740 |
1 |
1 |
0 |
0.000 |
Average: |
100.8 |
0.7 |
0.739 |
1 |
1 |
0 |
0.000 |
12 |
33 |
|
M |
19 |
4 |
10970 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
11112 |
120.6 |
-0.3 |
0.593 |
0 |
0 |
0 |
0.000 |
34 |
|
I |
15 |
5 |
10716 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
17 |
4 |
10988 |
117.6 |
-0.8 |
0.527 |
0 |
0 |
0 |
0.000 |
Average: |
119.1 |
-0.5 |
0.560 |
0 |
0 |
0 |
0.000 |
13 |
35 |
|
[PEG]H:198 |
7 |
1 |
255 |
f |
H |
x,y,z |
1_555 |
21 |
5 |
10858 |
119.7 |
1.2 |
0.237 |
2 |
0 |
0 |
0.000 |
14 |
36 |
|
[PEG]C:197 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10716 |
117.5 |
2.4 |
0.358 |
1 |
0 |
0 |
0.000 |
15 |
37 |
|
[PEG]H:199 |
7 |
1 |
262 |
◊ |
H |
x,y,z |
1_555 |
21 |
7 |
10858 |
116.1 |
2.1 |
0.345 |
2 |
0 |
0 |
0.000 |
16 |
38 |
|
[PEG]N:197 |
7 |
1 |
261 |
◊ |
N |
x,y,z |
1_555 |
14 |
5 |
11136 |
114.5 |
2.5 |
0.316 |
2 |
0 |
0 |
0.000 |
17 |
39 |
|
N |
9 |
3 |
11136 |
◊ |
K |
x,y,z |
1_555 |
10 |
3 |
10928 |
112.9 |
3.0 |
0.945 |
4 |
0 |
0 |
0.000 |
40 |
|
F |
10 |
3 |
10657 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
10914 |
112.7 |
3.1 |
0.948 |
4 |
0 |
0 |
0.000 |
41 |
|
L |
9 |
3 |
10988 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
10716 |
112.0 |
3.1 |
0.947 |
4 |
0 |
0 |
0.000 |
42 |
|
M |
10 |
3 |
10970 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11112 |
111.4 |
3.2 |
0.949 |
4 |
0 |
0 |
0.000 |
43 |
|
J |
9 |
3 |
10583 |
◊ |
G |
x,y,z |
1_555 |
10 |
3 |
11138 |
111.2 |
2.9 |
0.935 |
4 |
0 |
0 |
0.000 |
44 |
|
H |
10 |
3 |
10858 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
10887 |
111.1 |
2.9 |
0.939 |
4 |
0 |
0 |
0.000 |
45 |
|
D |
10 |
3 |
11084 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10716 |
108.8 |
2.9 |
0.936 |
4 |
0 |
0 |
0.000 |
Average: |
111.4 |
3.0 |
0.943 |
4 |
0 |
0 |
0.000 |
18 |
46 |
|
[PEG]M:196 |
7 |
1 |
256 |
f |
M |
x,y,z |
1_555 |
18 |
10 |
10970 |
112.7 |
2.7 |
0.321 |
2 |
0 |
0 |
0.000 |
19 |
47 |
|
[PEG]H:197 |
6 |
1 |
258 |
f |
H |
x,y,z |
1_555 |
18 |
9 |
10858 |
112.4 |
3.7 |
0.512 |
0 |
0 |
0 |
0.000 |
20 |
48 |
|
[PEG]I:197 |
6 |
1 |
260 |
◊ |
I |
x,y,z |
1_555 |
17 |
6 |
10716 |
112.3 |
3.2 |
0.462 |
2 |
0 |
0 |
0.000 |
21 |
49 |
|
[PEG]D:196 |
6 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
11084 |
111.1 |
2.9 |
0.376 |
2 |
0 |
0 |
0.000 |
22 |
50 |
|
[PEG]J:196 |
7 |
1 |
259 |
◊ |
J |
x,y,z |
1_555 |
15 |
4 |
10583 |
110.9 |
2.4 |
0.292 |
1 |
0 |
0 |
0.000 |
23 |
51 |
|
[PEG]A:197 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
10716 |
110.0 |
2.4 |
0.353 |
2 |
0 |
0 |
0.000 |
24 |
52 |
|
[PEG]I:199 |
7 |
1 |
263 |
f |
I |
x,y,z |
1_555 |
12 |
7 |
10716 |
109.4 |
2.2 |
0.258 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
[PEG]A:198 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10716 |
107.8 |
3.7 |
0.381 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
[PEG]F:196 |
6 |
1 |
261 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
10657 |
107.6 |
2.9 |
0.390 |
0 |
0 |
0 |
0.000 |
27 |
55 |
|
[PEG]G:197 |
7 |
1 |
261 |
f |
G |
x,y,z |
1_555 |
14 |
8 |
11138 |
107.2 |
2.6 |
0.284 |
2 |
0 |
0 |
0.000 |
28 |
56 |
|
[PEG]I:196 |
7 |
1 |
262 |
◊ |
G |
x,y,z |
1_555 |
21 |
9 |
11138 |
106.9 |
2.1 |
0.328 |
1 |
0 |
0 |
0.000 |
29 |
57 |
|
[PEG]L:197 |
7 |
1 |
259 |
f |
L |
x,y,z |
1_555 |
15 |
8 |
10988 |
106.2 |
3.1 |
0.321 |
1 |
0 |
0 |
0.000 |
30 |
58 |
|
[PEG]J:197 |
7 |
1 |
259 |
f |
J |
x,y,z |
1_555 |
16 |
8 |
10583 |
104.2 |
3.4 |
0.386 |
0 |
0 |
0 |
0.000 |
31 |
59 |
|
[PEG]B:197 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
11112 |
104.0 |
3.2 |
0.357 |
0 |
0 |
0 |
0.000 |
32 |
60 |
|
[PEG]N:196 |
7 |
1 |
257 |
f |
N |
x,y,z |
1_555 |
17 |
9 |
11136 |
102.8 |
3.4 |
0.384 |
0 |
0 |
0 |
0.000 |
33 |
61 |
|
[PEG]K:197 |
7 |
1 |
257 |
f |
K |
x,y,z |
1_555 |
18 |
10 |
10928 |
101.0 |
3.4 |
0.391 |
0 |
0 |
0 |
0.000 |
34 |
62 |
|
[PEG]B:198 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11112 |
100.8 |
2.5 |
0.290 |
1 |
0 |
0 |
0.000 |
35 |
63 |
|
[PEG]A:196 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
10716 |
100.6 |
3.7 |
0.485 |
0 |
0 |
0 |
0.000 |
36 |
64 |
|
[PEG]C:197 |
7 |
1 |
256 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
10914 |
99.6 |
3.0 |
0.440 |
0 |
0 |
0 |
0.000 |
37 |
65 |
|
[PEG]A:197 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
11112 |
99.3 |
1.3 |
0.239 |
0 |
0 |
0 |
0.000 |
38 |
66 |
|
[PEG]I:196 |
7 |
1 |
262 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
10716 |
98.4 |
2.3 |
0.326 |
2 |
0 |
0 |
0.000 |
39 |
67 |
|
[PEG]H:199 |
6 |
1 |
262 |
f |
G |
x,y,z |
1_555 |
18 |
6 |
11138 |
95.5 |
1.7 |
0.329 |
2 |
0 |
0 |
0.000 |
40 |
68 |
|
C |
9 |
3 |
10914 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
11112 |
95.5 |
1.8 |
0.851 |
4 |
5 |
0 |
0.000 |
69 |
|
I |
11 |
4 |
10716 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
6 |
2 |
10858 |
89.0 |
2.1 |
0.849 |
4 |
5 |
0 |
0.000 |
Average: |
92.2 |
1.9 |
0.850 |
4 |
5 |
0 |
0.000 |
41 |
70 |
|
[PEG]I:197 |
6 |
1 |
260 |
f |
J |
x,y,z |
1_555 |
17 |
6 |
10583 |
95.4 |
1.0 |
0.220 |
2 |
0 |
0 |
0.000 |
42 |
71 |
|
L |
9 |
3 |
10988 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
11112 |
95.0 |
1.9 |
0.785 |
2 |
3 |
0 |
0.005 |
72 |
|
M |
7 |
3 |
10970 |
◊ |
I |
x,y,z |
1_555 |
14 |
5 |
10716 |
93.0 |
2.8 |
0.873 |
1 |
4 |
0 |
0.005 |
73 |
|
G |
6 |
2 |
11138 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
10914 |
80.1 |
2.8 |
0.931 |
4 |
6 |
0 |
0.005 |
74 |
|
M |
5 |
3 |
10970 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
10914 |
70.2 |
0.4 |
0.647 |
2 |
4 |
0 |
0.005 |
75 |
|
N |
7 |
2 |
11136 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11084 |
68.8 |
-0.0 |
0.478 |
0 |
0 |
0 |
0.005 |
76 |
|
K |
5 |
2 |
10928 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10716 |
54.5 |
-1.6 |
0.132 |
0 |
0 |
0 |
0.005 |
77 |
|
N |
7 |
3 |
11136 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
10583 |
46.2 |
-0.3 |
0.505 |
0 |
0 |
0 |
0.005 |
78 |
|
E |
4 |
2 |
10887 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10716 |
28.8 |
-0.7 |
0.307 |
0 |
0 |
0 |
0.005 |
79 |
|
J |
5 |
2 |
10583 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
10657 |
24.1 |
-0.3 |
0.353 |
0 |
0 |
0 |
0.005 |
80 |
|
K |
2 |
1 |
10928 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11138 |
8.6 |
0.0 |
0.620 |
0 |
0 |
0 |
0.005 |
81 |
|
L |
1 |
1 |
10988 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
10858 |
7.4 |
-0.2 |
0.284 |
0 |
0 |
0 |
0.005 |
82 |
|
H |
1 |
1 |
10858 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11084 |
3.0 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.005 |
Average: |
48.3 |
0.4 |
0.539 |
1 |
1 |
0 |
0.005 |
43 |
83 |
|
[PEG]C:196 |
6 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
15 |
11 |
10914 |
94.7 |
2.0 |
0.327 |
0 |
0 |
0 |
0.000 |
44 |
84 |
|
G |
17 |
8 |
11138 |
◊ |
[PEG]L:196 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
258 |
90.7 |
3.0 |
0.394 |
0 |
0 |
0 |
0.000 |
45 |
85 |
|
[PEG]N:197 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11112 |
90.7 |
1.4 |
0.226 |
0 |
0 |
0 |
0.000 |
46 |
86 |
|
[PEG]E:196 |
7 |
1 |
261 |
◊ |
E |
x,y,z |
1_555 |
15 |
3 |
10887 |
86.6 |
2.2 |
0.255 |
0 |
0 |
0 |
0.000 |
47 |
87 |
|
A |
12 |
6 |
10716 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
11084 |
86.5 |
0.2 |
0.669 |
2 |
0 |
0 |
0.000 |
88 |
|
G |
7 |
2 |
11138 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
12 |
6 |
10583 |
77.8 |
0.1 |
0.661 |
1 |
0 |
0 |
0.000 |
Average: |
82.2 |
0.1 |
0.665 |
2 |
0 |
0 |
0.000 |
48 |
89 |
|
[PEG]K:196 |
6 |
1 |
261 |
◊ |
L |
x,y,z |
1_555 |
13 |
3 |
10988 |
82.3 |
2.7 |
0.401 |
0 |
0 |
0 |
0.000 |
49 |
90 |
|
[PEG]K:196 |
6 |
1 |
261 |
f |
K |
x,y,z |
1_555 |
13 |
3 |
10928 |
80.4 |
1.8 |
0.300 |
1 |
0 |
0 |
0.000 |
50 |
91 |
|
I |
10 |
3 |
10716 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
9 |
4 |
11112 |
79.8 |
-0.6 |
0.467 |
1 |
0 |
0 |
0.000 |
51 |
92 |
|
N |
6 |
2 |
11136 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
10657 |
79.4 |
-1.2 |
0.271 |
0 |
0 |
0 |
0.004 |
93 |
|
K |
3 |
1 |
10928 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10887 |
37.5 |
-1.2 |
0.150 |
0 |
0 |
0 |
0.004 |
Average: |
58.4 |
-1.2 |
0.210 |
0 |
0 |
0 |
0.004 |
52 |
94 |
|
[PEG]M:197 |
7 |
1 |
260 |
f |
M |
x,y,z |
1_555 |
12 |
4 |
10970 |
79.0 |
1.2 |
0.175 |
1 |
0 |
0 |
0.000 |
53 |
95 |
|
[PEG]M:197 |
5 |
1 |
260 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
8 |
11084 |
77.7 |
2.7 |
0.447 |
0 |
0 |
0 |
0.000 |
54 |
96 |
|
[PEG]J:198 |
7 |
1 |
260 |
f |
I |
x,y,z |
1_555 |
14 |
3 |
10716 |
76.6 |
2.2 |
0.284 |
0 |
0 |
0 |
0.000 |
55 |
97 |
|
[PEG]L:196 |
5 |
1 |
258 |
f |
L |
x,y,z |
1_555 |
11 |
3 |
10988 |
76.2 |
0.9 |
0.230 |
1 |
0 |
0 |
0.000 |
56 |
98 |
|
[PEG]J:198 |
5 |
1 |
260 |
◊ |
J |
x,y,z |
1_555 |
13 |
3 |
10583 |
75.9 |
2.3 |
0.434 |
0 |
0 |
0 |
0.000 |
57 |
99 |
|
[PEG]G:196 |
7 |
1 |
255 |
f |
I |
x,y,z |
1_555 |
9 |
2 |
10716 |
74.0 |
1.3 |
0.209 |
1 |
0 |
0 |
0.000 |
58 |
100 |
|
[PEG]E:196 |
6 |
1 |
261 |
f |
F |
x,y,z |
1_555 |
13 |
3 |
10657 |
72.9 |
1.7 |
0.258 |
0 |
0 |
0 |
0.000 |
59 |
101 |
|
G |
8 |
2 |
11138 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
10716 |
70.9 |
1.1 |
0.812 |
1 |
0 |
0 |
0.000 |
102 |
|
J |
7 |
4 |
10583 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
1 |
11084 |
53.0 |
0.8 |
0.797 |
1 |
0 |
0 |
0.000 |
Average: |
62.0 |
1.0 |
0.804 |
1 |
0 |
0 |
0.000 |
60 |
103 |
|
[CA]C:200 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
10914 |
57.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.283 |
104 |
|
[CA]I:201 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
14 |
6 |
10716 |
57.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.283 |
105 |
|
[CA]F:198 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
10657 |
57.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.283 |
106 |
|
[CA]K:199 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
15 |
7 |
10928 |
57.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.283 |
107 |
|
[CA]E:199 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
10887 |
57.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.283 |
108 |
|
[CA]G:199 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
11138 |
57.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.283 |
109 |
|
[CA]M:199 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
14 |
6 |
10970 |
57.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.283 |
110 |
|
[CA]N:199 |
1 |
1 |
85 |
f |
N |
x,y,z |
1_555 |
14 |
6 |
11136 |
56.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.283 |
111 |
|
[CA]J:200 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
14 |
6 |
10583 |
56.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.283 |
112 |
|
[CA]D:198 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
11084 |
56.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.283 |
113 |
|
[CA]B:200 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11112 |
56.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.283 |
114 |
|
[CA]L:199 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
14 |
6 |
10988 |
56.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.283 |
115 |
|
[CA]H:201 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
10858 |
55.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.283 |
Average: |
57.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.283 |
61 |
116 |
|
[PEG]J:196 |
6 |
1 |
259 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
10716 |
52.5 |
2.0 |
0.298 |
0 |
0 |
0 |
0.000 |
62 |
117 |
|
[PEG]J:196 |
3 |
1 |
259 |
f |
B |
-x,y-1/2,-z |
2_545 |
7 |
2 |
11112 |
49.8 |
1.2 |
0.407 |
0 |
0 |
0 |
0.000 |
63 |
118 |
|
[PEG]H:198 |
5 |
1 |
255 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
10583 |
47.1 |
0.5 |
0.201 |
0 |
0 |
0 |
0.000 |
64 |
119 |
|
[CA]G:198 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
11138 |
45.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.249 |
120 |
|
[CA]A:199 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10716 |
44.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.249 |
121 |
|
[CA]L:198 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
12 |
7 |
10988 |
44.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.249 |
122 |
|
[CA]M:198 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
11 |
7 |
10970 |
44.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.249 |
123 |
|
[CA]H:200 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
7 |
10858 |
44.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.249 |
124 |
|
[CA]K:198 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
12 |
7 |
10928 |
44.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.249 |
125 |
|
[CA]J:199 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
11 |
7 |
10583 |
44.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.249 |
126 |
|
[CA]B:199 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
11112 |
44.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.249 |
127 |
|
[CA]N:198 |
1 |
1 |
85 |
f |
N |
x,y,z |
1_555 |
9 |
7 |
11136 |
44.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.249 |
128 |
|
[CA]F:197 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
10657 |
44.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.249 |
129 |
|
[CA]C:199 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10914 |
44.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.249 |
130 |
|
[CA]I:200 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
11 |
7 |
10716 |
44.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.249 |
131 |
|
[CA]E:197 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
10887 |
44.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.249 |
132 |
|
[CA]D:197 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
11084 |
43.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.249 |
Average: |
44.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.249 |
65 |
133 |
|
G |
3 |
1 |
11138 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
10970 |
41.3 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
134 |
|
L |
2 |
1 |
10988 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
1 |
11084 |
21.6 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
Average: |
31.4 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
66 |
135 |
|
[PEG]A:198 |
4 |
1 |
260 |
f |
[PEG]A:196 |
x,y,z |
1_555 |
5 |
1 |
258 |
39.6 |
1.8 |
0.112 |
0 |
0 |
0 |
0.000 |
67 |
136 |
|
[PEG]B:198 |
5 |
1 |
261 |
f |
[PEG]B:197 |
x,y,z |
1_555 |
4 |
1 |
256 |
36.5 |
2.1 |
0.129 |
0 |
0 |
0 |
0.000 |
68 |
137 |
|
[CA]E:198 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
10887 |
31.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.019 |
69 |
138 |
|
K |
4 |
2 |
10928 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
11084 |
31.0 |
0.5 |
0.759 |
0 |
0 |
0 |
0.000 |
139 |
|
G |
2 |
2 |
11138 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
4 |
2 |
11136 |
17.5 |
0.6 |
0.811 |
0 |
0 |
0 |
0.000 |
Average: |
24.3 |
0.5 |
0.785 |
0 |
0 |
0 |
0.000 |
70 |
140 |
|
[PEG]H:196 |
3 |
1 |
258 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
10657 |
23.9 |
0.4 |
0.203 |
0 |
0 |
0 |
0.000 |
71 |
141 |
|
[PEG]I:196 |
2 |
1 |
262 |
f |
L |
-x,y-1/2,-z |
2_545 |
2 |
1 |
10988 |
21.4 |
-0.8 |
0.141 |
0 |
0 |
0 |
0.004 |
72 |
142 |
|
[PEG]B:196 |
3 |
1 |
263 |
f |
N |
x,y,z |
1_555 |
3 |
1 |
11136 |
20.8 |
0.2 |
0.201 |
0 |
0 |
0 |
0.000 |
73 |
143 |
|
I |
1 |
1 |
10716 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
11084 |
17.3 |
0.6 |
0.883 |
0 |
0 |
0 |
0.000 |
74 |
144 |
|
[CA]E:198 |
1 |
1 |
85 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
10657 |
17.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
145 |
|
E |
5 |
4 |
10887 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
10858 |
16.5 |
0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
76 |
146 |
|
I |
5 |
2 |
10716 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
10858 |
12.8 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
147 |
|
C |
6 |
2 |
10914 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11112 |
9.8 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
148 |
|
G |
6 |
2 |
11138 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
10657 |
9.4 |
0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
149 |
|
K |
6 |
2 |
10928 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
10583 |
8.0 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
150 |
|
E |
4 |
2 |
10887 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11084 |
7.8 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
151 |
|
M |
4 |
2 |
10970 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
10988 |
5.6 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
152 |
|
N |
4 |
2 |
11136 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10716 |
5.5 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
Average: |
8.4 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
77 |
153 |
|
[CA]F:197 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
10858 |
12.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.015 |
154 |
|
[CA]I:200 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
11138 |
12.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
155 |
|
[CA]B:199 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11084 |
11.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.015 |
156 |
|
[CA]H:200 |
1 |
1 |
85 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
10583 |
7.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
157 |
|
[CA]C:199 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10716 |
3.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
158 |
|
[CA]G:198 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10887 |
3.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
8.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.015 |
78 |
159 |
|
[PEG]C:198 |
1 |
1 |
263 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
10887 |
9.4 |
-0.0 |
0.268 |
0 |
0 |
0 |
0.000 |
79 |
160 |
|
C |
1 |
1 |
10914 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
10716 |
7.8 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
80 |
161 |
|
[CA]E:198 |
1 |
1 |
85 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
10858 |
3.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
162 |
|
K |
1 |
1 |
10928 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11112 |
1.8 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|