| ## |
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 |
|
W |
277 |
75 |
13799 |
◊ |
V |
x,y,z |
1_555 |
292 |
76 |
16465 |
2703.6 |
-14.6 |
0.652 |
37 |
14 |
0 |
1.000 |
2 |
|
5 |
280 |
75 |
13790 |
◊ |
4 |
x,y,z |
1_555 |
289 |
75 |
16489 |
2700.7 |
-14.6 |
0.653 |
38 |
14 |
0 |
1.000 |
3 |
|
E |
281 |
75 |
13789 |
◊ |
D |
x,y,z |
1_555 |
290 |
75 |
16486 |
2697.5 |
-15.1 |
0.644 |
36 |
14 |
0 |
1.000 |
4 |
|
N |
280 |
75 |
13786 |
◊ |
M |
x,y,z |
1_555 |
291 |
76 |
16469 |
2694.0 |
-14.6 |
0.654 |
37 |
14 |
0 |
1.000 |
| Average: |
2698.9 |
-14.8 |
0.651 |
37 |
14 |
0 |
1.000 |
| 2 |
5 |
|
B |
257 |
64 |
10442 |
◊ |
A |
x,y,z |
1_555 |
286 |
79 |
18258 |
2530.9 |
-20.8 |
0.131 |
41 |
14 |
0 |
0.446 |
6 |
|
K |
259 |
64 |
10456 |
◊ |
J |
x,y,z |
1_555 |
281 |
79 |
18253 |
2529.4 |
-20.3 |
0.144 |
39 |
14 |
0 |
0.446 |
7 |
|
2 |
260 |
64 |
10440 |
◊ |
1 |
x,y,z |
1_555 |
282 |
78 |
18254 |
2528.7 |
-20.6 |
0.137 |
40 |
14 |
0 |
0.446 |
8 |
|
T |
256 |
65 |
10445 |
◊ |
S |
x,y,z |
1_555 |
288 |
78 |
18267 |
2526.5 |
-20.6 |
0.134 |
40 |
14 |
0 |
0.446 |
| Average: |
2528.9 |
-20.6 |
0.136 |
40 |
14 |
0 |
0.446 |
| 3 |
9 |
|
U |
162 |
43 |
31923 |
◊ |
S |
x,y,z |
1_555 |
157 |
41 |
18267 |
1490.2 |
-11.6 |
0.146 |
16 |
7 |
0 |
0.156 |
10 |
|
3 |
164 |
43 |
31982 |
◊ |
1 |
x,y,z |
1_555 |
159 |
41 |
18254 |
1482.0 |
-12.9 |
0.122 |
15 |
7 |
0 |
0.156 |
11 |
|
C |
163 |
44 |
31943 |
◊ |
A |
x,y,z |
1_555 |
157 |
41 |
18258 |
1481.2 |
-11.5 |
0.153 |
14 |
8 |
0 |
0.156 |
12 |
|
L |
162 |
42 |
31926 |
◊ |
J |
x,y,z |
1_555 |
160 |
41 |
18253 |
1479.8 |
-11.8 |
0.145 |
16 |
6 |
0 |
0.156 |
| Average: |
1483.3 |
-11.9 |
0.141 |
15 |
7 |
0 |
0.156 |
| 4 |
13 |
|
P |
141 |
31 |
9162 |
◊ |
O |
x,y,z |
1_555 |
137 |
36 |
9096 |
1281.4 |
-10.9 |
0.583 |
12 |
2 |
0 |
0.224 |
14 |
|
Y |
140 |
31 |
9166 |
◊ |
X |
x,y,z |
1_555 |
141 |
37 |
9091 |
1280.0 |
-12.2 |
0.546 |
12 |
2 |
0 |
0.224 |
15 |
|
9 |
142 |
31 |
9158 |
◊ |
6 |
x,y,z |
1_555 |
135 |
36 |
9090 |
1279.6 |
-12.2 |
0.531 |
12 |
2 |
0 |
0.224 |
16 |
|
G |
143 |
31 |
9166 |
◊ |
F |
x,y,z |
1_555 |
140 |
37 |
9096 |
1279.3 |
-12.5 |
0.531 |
11 |
2 |
0 |
0.224 |
| Average: |
1280.1 |
-11.9 |
0.548 |
12 |
2 |
0 |
0.224 |
| 5 |
17 |
|
F |
103 |
26 |
9096 |
◊ |
D |
x,y,z |
1_555 |
131 |
34 |
16486 |
1060.1 |
-14.0 |
0.335 |
14 |
7 |
0 |
0.505 |
18 |
|
X |
104 |
26 |
9091 |
◊ |
V |
x,y,z |
1_555 |
132 |
34 |
16465 |
1055.9 |
-14.0 |
0.339 |
14 |
6 |
0 |
0.505 |
19 |
|
6 |
106 |
26 |
9090 |
◊ |
4 |
x,y,z |
1_555 |
132 |
34 |
16489 |
1054.6 |
-13.6 |
0.370 |
14 |
6 |
0 |
0.505 |
20 |
|
O |
108 |
26 |
9096 |
◊ |
M |
x,y,z |
1_555 |
132 |
34 |
16469 |
1052.4 |
-13.6 |
0.379 |
14 |
6 |
0 |
0.505 |
| Average: |
1055.7 |
-13.8 |
0.356 |
14 |
6 |
0 |
0.505 |
| 6 |
21 |
|
7 |
104 |
33 |
7587 |
◊ |
3 |
x,y,z |
1_555 |
107 |
28 |
31982 |
1018.5 |
-6.5 |
0.370 |
9 |
9 |
0 |
0.097 |
22 |
|
Z |
107 |
33 |
7584 |
◊ |
U |
x,y,z |
1_555 |
107 |
28 |
31923 |
1017.4 |
-6.1 |
0.388 |
9 |
9 |
0 |
0.097 |
23 |
|
Q |
105 |
33 |
7579 |
◊ |
L |
x,y,z |
1_555 |
108 |
28 |
31926 |
1016.7 |
-6.6 |
0.368 |
9 |
9 |
0 |
0.097 |
24 |
|
H |
109 |
33 |
7608 |
◊ |
C |
x,y,z |
1_555 |
108 |
28 |
31943 |
1014.8 |
-6.7 |
0.342 |
10 |
9 |
0 |
0.097 |
| Average: |
1016.8 |
-6.5 |
0.367 |
9 |
9 |
0 |
0.097 |
| 7 |
25 |
|
P |
100 |
27 |
9162 |
◊ |
M |
x,y,z |
1_555 |
116 |
30 |
16469 |
996.7 |
-2.9 |
0.479 |
18 |
4 |
0 |
0.142 |
26 |
|
G |
106 |
28 |
9166 |
◊ |
D |
x,y,z |
1_555 |
118 |
31 |
16486 |
996.2 |
-6.1 |
0.477 |
17 |
3 |
0 |
0.142 |
27 |
|
Y |
105 |
28 |
9166 |
◊ |
V |
x,y,z |
1_555 |
118 |
31 |
16465 |
996.2 |
-5.8 |
0.480 |
18 |
4 |
0 |
0.142 |
28 |
|
9 |
105 |
29 |
9158 |
◊ |
4 |
x,y,z |
1_555 |
115 |
30 |
16489 |
993.6 |
-6.0 |
0.483 |
18 |
3 |
0 |
0.142 |
| Average: |
995.7 |
-5.2 |
0.480 |
18 |
4 |
0 |
0.142 |
| 8 |
29 |
|
W |
92 |
21 |
13799 |
◊ |
U |
x,y,z |
1_555 |
137 |
40 |
31923 |
989.3 |
-6.0 |
0.304 |
9 |
3 |
0 |
0.072 |
30 |
|
5 |
92 |
21 |
13790 |
◊ |
3 |
x,y,z |
1_555 |
135 |
39 |
31982 |
987.9 |
-6.0 |
0.302 |
9 |
4 |
0 |
0.072 |
31 |
|
N |
91 |
21 |
13786 |
◊ |
L |
x,y,z |
1_555 |
135 |
40 |
31926 |
985.8 |
-6.2 |
0.291 |
9 |
4 |
0 |
0.072 |
32 |
|
E |
93 |
21 |
13789 |
◊ |
C |
x,y,z |
1_555 |
134 |
40 |
31943 |
981.0 |
-6.0 |
0.314 |
9 |
4 |
0 |
0.072 |
| Average: |
986.0 |
-6.0 |
0.303 |
9 |
4 |
0 |
0.072 |
| 9 |
33 |
|
4 |
84 |
24 |
16489 |
◊ |
3 |
x,y,z |
1_555 |
104 |
30 |
31982 |
923.5 |
-18.9 |
0.003 |
9 |
2 |
0 |
0.221 |
34 |
|
D |
85 |
24 |
16486 |
◊ |
C |
x,y,z |
1_555 |
103 |
30 |
31943 |
919.2 |
-19.1 |
0.003 |
9 |
2 |
0 |
0.221 |
35 |
|
V |
85 |
24 |
16465 |
◊ |
U |
x,y,z |
1_555 |
100 |
30 |
31923 |
917.9 |
-18.9 |
0.003 |
9 |
2 |
0 |
0.221 |
36 |
|
M |
84 |
24 |
16469 |
◊ |
L |
x,y,z |
1_555 |
103 |
30 |
31926 |
917.8 |
-19.0 |
0.003 |
9 |
2 |
0 |
0.221 |
| Average: |
919.6 |
-19.0 |
0.003 |
9 |
2 |
0 |
0.221 |
| 10 |
37 |
|
H |
79 |
21 |
7608 |
◊ |
B |
x,y,z |
1_555 |
80 |
24 |
10442 |
765.3 |
-9.6 |
0.147 |
4 |
5 |
0 |
0.095 |
38 |
|
Z |
78 |
21 |
7584 |
◊ |
T |
x,y,z |
1_555 |
78 |
22 |
10445 |
765.1 |
-9.6 |
0.139 |
4 |
5 |
0 |
0.095 |
39 |
|
Q |
80 |
21 |
7579 |
◊ |
K |
x,y,z |
1_555 |
76 |
22 |
10456 |
763.6 |
-9.7 |
0.132 |
4 |
5 |
0 |
0.095 |
40 |
|
7 |
81 |
21 |
7587 |
◊ |
2 |
x,y,z |
1_555 |
77 |
22 |
10440 |
763.3 |
-9.6 |
0.140 |
4 |
5 |
0 |
0.095 |
| Average: |
764.3 |
-9.6 |
0.139 |
4 |
5 |
0 |
0.095 |
| 11 |
41 |
|
G |
65 |
17 |
9166 |
◊ |
C |
x,y,z |
1_555 |
71 |
18 |
31943 |
600.1 |
-0.2 |
0.715 |
6 |
6 |
0 |
0.019 |
42 |
|
9 |
66 |
17 |
9158 |
◊ |
3 |
x,y,z |
1_555 |
68 |
18 |
31982 |
599.3 |
-0.4 |
0.705 |
6 |
5 |
0 |
0.019 |
43 |
|
Y |
64 |
17 |
9166 |
◊ |
U |
x,y,z |
1_555 |
71 |
18 |
31923 |
598.6 |
-0.2 |
0.712 |
6 |
5 |
0 |
0.019 |
44 |
|
P |
67 |
17 |
9162 |
◊ |
L |
x,y,z |
1_555 |
69 |
18 |
31926 |
597.4 |
-0.4 |
0.706 |
6 |
5 |
0 |
0.019 |
| Average: |
598.9 |
-0.3 |
0.709 |
6 |
5 |
0 |
0.019 |
| 12 |
45 |
|
Y |
80 |
20 |
9166 |
◊ |
W |
x,y,z |
1_555 |
63 |
14 |
13799 |
590.6 |
-6.8 |
0.301 |
8 |
6 |
0 |
0.122 |
46 |
|
P |
79 |
21 |
9162 |
◊ |
N |
x,y,z |
1_555 |
60 |
14 |
13786 |
588.0 |
-6.9 |
0.274 |
8 |
7 |
0 |
0.122 |
47 |
|
G |
79 |
21 |
9166 |
◊ |
E |
x,y,z |
1_555 |
62 |
14 |
13789 |
587.5 |
-6.9 |
0.281 |
8 |
7 |
0 |
0.122 |
48 |
|
9 |
78 |
20 |
9158 |
◊ |
5 |
x,y,z |
1_555 |
61 |
14 |
13790 |
586.7 |
-6.9 |
0.282 |
8 |
6 |
0 |
0.122 |
| Average: |
588.2 |
-6.9 |
0.284 |
8 |
7 |
0 |
0.122 |
| 13 |
49 |
|
L |
60 |
16 |
31926 |
◊ |
K |
x,y,z |
1_555 |
63 |
16 |
10456 |
538.1 |
-5.6 |
0.253 |
8 |
2 |
0 |
0.081 |
50 |
|
3 |
60 |
16 |
31982 |
◊ |
2 |
x,y,z |
1_555 |
62 |
16 |
10440 |
536.3 |
-5.7 |
0.243 |
9 |
2 |
0 |
0.081 |
51 |
|
U |
59 |
15 |
31923 |
◊ |
T |
x,y,z |
1_555 |
63 |
16 |
10445 |
536.1 |
-5.6 |
0.248 |
10 |
2 |
0 |
0.081 |
52 |
|
C |
59 |
15 |
31943 |
◊ |
B |
x,y,z |
1_555 |
62 |
16 |
10442 |
534.7 |
-5.6 |
0.249 |
8 |
2 |
0 |
0.081 |
| Average: |
536.3 |
-5.6 |
0.248 |
9 |
2 |
0 |
0.081 |
| 14 |
53 |
|
Z |
48 |
15 |
7584 |
◊ |
Y |
x,y,z |
1_555 |
57 |
17 |
9166 |
483.2 |
-5.5 |
0.330 |
1 |
0 |
0 |
0.030 |
54 |
|
Q |
50 |
15 |
7579 |
◊ |
P |
x,y,z |
1_555 |
57 |
17 |
9162 |
481.9 |
-5.5 |
0.337 |
1 |
0 |
0 |
0.030 |
55 |
|
H |
50 |
15 |
7608 |
◊ |
G |
x,y,z |
1_555 |
57 |
17 |
9166 |
480.2 |
-5.6 |
0.322 |
1 |
0 |
0 |
0.030 |
56 |
|
7 |
48 |
15 |
7587 |
◊ |
9 |
x,y,z |
1_555 |
56 |
17 |
9158 |
480.0 |
-5.5 |
0.330 |
0 |
0 |
0 |
0.030 |
| Average: |
481.4 |
-5.5 |
0.329 |
1 |
0 |
0 |
0.030 |
| 15 |
57 |
|
[FMN]Q:500 |
31 |
1 |
625 |
f |
J |
x,y,z |
1_555 |
78 |
26 |
18253 |
444.1 |
-6.4 |
0.494 |
10 |
0 |
0 |
0.120 |
58 |
|
[FMN]H:500 |
31 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
78 |
26 |
18258 |
442.8 |
-6.4 |
0.500 |
10 |
0 |
0 |
0.120 |
59 |
|
[FMN]Z:500 |
31 |
1 |
619 |
f |
S |
x,y,z |
1_555 |
75 |
26 |
18267 |
442.0 |
-6.5 |
0.486 |
10 |
0 |
0 |
0.120 |
60 |
|
[FMN]7:500 |
31 |
1 |
622 |
f |
1 |
x,y,z |
1_555 |
78 |
26 |
18254 |
441.2 |
-6.3 |
0.503 |
10 |
0 |
0 |
0.120 |
| Average: |
442.5 |
-6.4 |
0.496 |
10 |
0 |
0 |
0.120 |
| 16 |
61 |
|
1 |
54 |
15 |
18254 |
◊ |
O |
x-1,y,z |
1_455 |
43 |
10 |
9096 |
408.3 |
-0.6 |
0.705 |
3 |
0 |
0 |
0.000 |
62 |
|
6 |
41 |
9 |
9090 |
◊ |
J |
x,y,z |
1_555 |
53 |
15 |
18253 |
394.5 |
-0.4 |
0.711 |
2 |
0 |
0 |
0.000 |
63 |
|
F |
41 |
10 |
9096 |
◊ |
S |
x-1,y,z |
1_455 |
55 |
15 |
18267 |
394.2 |
-0.6 |
0.701 |
3 |
0 |
0 |
0.000 |
64 |
|
X |
35 |
9 |
9091 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
18258 |
308.5 |
-1.7 |
0.592 |
3 |
1 |
0 |
0.000 |
| Average: |
376.4 |
-0.8 |
0.677 |
3 |
0 |
0 |
0.000 |
| 17 |
65 |
|
X |
38 |
7 |
9091 |
◊ |
W |
x,y,z |
1_555 |
38 |
15 |
13799 |
320.7 |
-2.4 |
0.625 |
3 |
0 |
0 |
0.041 |
66 |
|
6 |
38 |
7 |
9090 |
◊ |
5 |
x,y,z |
1_555 |
39 |
15 |
13790 |
319.2 |
-2.3 |
0.635 |
3 |
0 |
0 |
0.041 |
67 |
|
O |
38 |
7 |
9096 |
◊ |
N |
x,y,z |
1_555 |
38 |
15 |
13786 |
318.7 |
-2.5 |
0.617 |
3 |
0 |
0 |
0.041 |
68 |
|
F |
36 |
7 |
9096 |
◊ |
E |
x,y,z |
1_555 |
39 |
15 |
13789 |
316.1 |
-2.3 |
0.624 |
3 |
0 |
0 |
0.041 |
| Average: |
318.7 |
-2.4 |
0.625 |
3 |
0 |
0 |
0.041 |
| 18 |
69 |
|
Q |
35 |
9 |
7579 |
◊ |
M |
x,y,z |
1_555 |
29 |
6 |
16469 |
293.4 |
-1.1 |
0.514 |
6 |
8 |
0 |
0.018 |
70 |
|
H |
34 |
9 |
7608 |
◊ |
D |
x,y,z |
1_555 |
30 |
6 |
16486 |
293.2 |
-1.1 |
0.503 |
6 |
8 |
0 |
0.018 |
71 |
|
Z |
34 |
9 |
7584 |
◊ |
V |
x,y,z |
1_555 |
29 |
6 |
16465 |
292.4 |
-1.2 |
0.502 |
6 |
8 |
0 |
0.018 |
72 |
|
7 |
33 |
9 |
7587 |
◊ |
4 |
x,y,z |
1_555 |
28 |
6 |
16489 |
291.6 |
-1.1 |
0.500 |
6 |
8 |
0 |
0.018 |
| Average: |
292.6 |
-1.1 |
0.505 |
6 |
8 |
0 |
0.018 |
| 19 |
73 |
|
N |
38 |
13 |
13786 |
◊ |
A |
x,y,z-1 |
1_554 |
32 |
12 |
18258 |
290.2 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| 20 |
74 |
|
L |
24 |
10 |
31926 |
◊ |
U |
-x+1,y-1/2,-z |
2_645 |
26 |
9 |
31923 |
250.1 |
0.9 |
0.482 |
1 |
1 |
0 |
0.000 |
| 21 |
75 |
|
J |
30 |
6 |
18253 |
◊ |
1 |
-x+1,y-1/2,-z |
2_645 |
31 |
6 |
18254 |
243.6 |
-4.4 |
0.134 |
0 |
0 |
0 |
0.000 |
| 22 |
76 |
|
A |
24 |
7 |
18258 |
◊ |
S |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
5 |
18267 |
207.3 |
-1.1 |
0.445 |
1 |
0 |
0 |
0.000 |
| 23 |
77 |
|
H |
21 |
6 |
7608 |
◊ |
V |
x-1,y,z |
1_455 |
22 |
6 |
16465 |
203.7 |
-0.4 |
0.526 |
1 |
0 |
0 |
0.000 |
| 24 |
78 |
|
M |
20 |
8 |
16469 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
9 |
31943 |
203.6 |
0.6 |
0.640 |
0 |
1 |
0 |
0.000 |
| 25 |
79 |
|
4 |
24 |
7 |
16489 |
◊ |
Q |
x-1,y,z |
1_455 |
27 |
8 |
7579 |
199.5 |
0.4 |
0.729 |
1 |
0 |
0 |
0.000 |
80 |
|
7 |
28 |
8 |
7587 |
◊ |
M |
x,y,z |
1_555 |
19 |
5 |
16469 |
196.3 |
0.7 |
0.759 |
2 |
0 |
0 |
0.000 |
| Average: |
197.9 |
0.5 |
0.744 |
2 |
0 |
0 |
0.000 |
| 26 |
81 |
|
[SF4]L:786 |
8 |
1 |
303 |
f |
L |
x,y,z |
1_555 |
28 |
14 |
31926 |
190.0 |
-21.4 |
0.207 |
2 |
0 |
0 |
0.211 |
82 |
|
[SF4]3:786 |
8 |
1 |
301 |
f |
3 |
x,y,z |
1_555 |
24 |
12 |
31982 |
187.8 |
-21.2 |
0.249 |
2 |
0 |
0 |
0.211 |
83 |
|
[SF4]U:786 |
8 |
1 |
301 |
f |
U |
x,y,z |
1_555 |
28 |
13 |
31923 |
187.5 |
-21.2 |
0.294 |
1 |
0 |
0 |
0.211 |
84 |
|
[SF4]C:786 |
8 |
1 |
302 |
f |
C |
x,y,z |
1_555 |
29 |
14 |
31943 |
187.2 |
-21.2 |
0.302 |
2 |
0 |
0 |
0.211 |
| Average: |
188.1 |
-21.3 |
0.263 |
2 |
0 |
0 |
0.211 |
| 27 |
85 |
|
[SF4]3:785 |
8 |
1 |
300 |
f |
3 |
x,y,z |
1_555 |
28 |
14 |
31982 |
183.6 |
-21.1 |
0.317 |
0 |
0 |
0 |
0.201 |
86 |
|
[SF4]L:785 |
8 |
1 |
300 |
f |
L |
x,y,z |
1_555 |
26 |
13 |
31926 |
183.6 |
-21.1 |
0.298 |
0 |
0 |
0 |
0.201 |
87 |
|
[SF4]U:785 |
8 |
1 |
302 |
f |
U |
x,y,z |
1_555 |
24 |
12 |
31923 |
183.1 |
-21.2 |
0.290 |
0 |
0 |
0 |
0.201 |
88 |
|
[SF4]C:785 |
8 |
1 |
300 |
f |
C |
x,y,z |
1_555 |
27 |
13 |
31943 |
182.1 |
-21.0 |
0.241 |
0 |
0 |
0 |
0.201 |
| Average: |
183.1 |
-21.1 |
0.286 |
0 |
0 |
0 |
0.201 |
| 28 |
89 |
|
[SF4]Y:184 |
8 |
1 |
303 |
f |
Y |
x,y,z |
1_555 |
24 |
13 |
9166 |
181.8 |
-20.8 |
0.414 |
0 |
0 |
0 |
0.267 |
90 |
|
[SF4]G:184 |
8 |
1 |
301 |
f |
G |
x,y,z |
1_555 |
26 |
14 |
9166 |
181.5 |
-20.7 |
0.323 |
0 |
0 |
0 |
0.267 |
91 |
|
[SF4]9:184 |
8 |
1 |
300 |
f |
9 |
x,y,z |
1_555 |
24 |
13 |
9158 |
180.3 |
-20.7 |
0.421 |
0 |
0 |
0 |
0.267 |
92 |
|
[SF4]P:184 |
8 |
1 |
300 |
f |
P |
x,y,z |
1_555 |
25 |
13 |
9162 |
179.8 |
-20.6 |
0.428 |
1 |
0 |
0 |
0.267 |
| Average: |
180.9 |
-20.7 |
0.396 |
0 |
0 |
0 |
0.267 |
| 29 |
93 |
|
[SF4]Y:183 |
8 |
1 |
305 |
f |
Y |
x,y,z |
1_555 |
25 |
14 |
9166 |
180.9 |
-22.0 |
0.300 |
0 |
0 |
0 |
0.274 |
94 |
|
[SF4]P:183 |
8 |
1 |
299 |
f |
P |
x,y,z |
1_555 |
24 |
14 |
9162 |
177.7 |
-21.6 |
0.290 |
0 |
0 |
0 |
0.274 |
95 |
|
[SF4]9:183 |
8 |
1 |
301 |
f |
9 |
x,y,z |
1_555 |
22 |
13 |
9158 |
176.6 |
-21.6 |
0.278 |
0 |
0 |
0 |
0.274 |
96 |
|
[SF4]G:183 |
8 |
1 |
299 |
f |
G |
x,y,z |
1_555 |
23 |
14 |
9166 |
176.1 |
-21.3 |
0.218 |
0 |
0 |
0 |
0.274 |
| Average: |
177.8 |
-21.6 |
0.272 |
0 |
0 |
0 |
0.274 |
| 30 |
97 |
|
D |
20 |
8 |
16486 |
◊ |
U |
x,y,z |
1_555 |
22 |
7 |
31923 |
178.5 |
-2.1 |
0.363 |
0 |
2 |
0 |
0.000 |
| 31 |
98 |
|
[SF4]A:439 |
8 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
18258 |
175.0 |
-20.5 |
0.364 |
2 |
0 |
0 |
0.236 |
99 |
|
[SF4]S:439 |
8 |
1 |
303 |
f |
S |
x,y,z |
1_555 |
23 |
13 |
18267 |
174.8 |
-20.6 |
0.259 |
2 |
0 |
0 |
0.236 |
100 |
|
[SF4]J:439 |
8 |
1 |
300 |
f |
J |
x,y,z |
1_555 |
26 |
14 |
18253 |
173.6 |
-20.5 |
0.370 |
2 |
0 |
0 |
0.236 |
101 |
|
[SF4]1:439 |
8 |
1 |
299 |
f |
1 |
x,y,z |
1_555 |
24 |
14 |
18254 |
173.5 |
-20.3 |
0.260 |
2 |
0 |
0 |
0.236 |
| Average: |
174.2 |
-20.5 |
0.313 |
2 |
0 |
0 |
0.236 |
| 32 |
102 |
|
[SF4]3:784 |
8 |
1 |
299 |
f |
3 |
x,y,z |
1_555 |
27 |
14 |
31982 |
163.9 |
-17.5 |
0.320 |
1 |
0 |
0 |
0.171 |
103 |
|
[SF4]C:784 |
8 |
1 |
301 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
31943 |
163.7 |
-17.4 |
0.340 |
1 |
0 |
0 |
0.171 |
104 |
|
[SF4]L:784 |
8 |
1 |
301 |
f |
L |
x,y,z |
1_555 |
28 |
14 |
31926 |
163.3 |
-17.5 |
0.335 |
1 |
0 |
0 |
0.171 |
105 |
|
[SF4]U:784 |
8 |
1 |
301 |
f |
U |
x,y,z |
1_555 |
30 |
14 |
31923 |
163.1 |
-17.5 |
0.359 |
1 |
0 |
0 |
0.171 |
| Average: |
163.5 |
-17.5 |
0.339 |
1 |
0 |
0 |
0.171 |
| 33 |
106 |
|
Z |
23 |
8 |
7584 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
16486 |
156.6 |
2.1 |
0.880 |
2 |
0 |
0 |
0.000 |
| 34 |
107 |
|
[SF4]X:182 |
8 |
1 |
306 |
f |
X |
x,y,z |
1_555 |
22 |
11 |
9091 |
154.4 |
-17.2 |
0.326 |
2 |
0 |
0 |
0.426 |
108 |
|
[SF4]6:182 |
8 |
1 |
303 |
f |
6 |
x,y,z |
1_555 |
23 |
11 |
9090 |
152.9 |
-17.1 |
0.346 |
2 |
0 |
0 |
0.426 |
109 |
|
[SF4]F:182 |
8 |
1 |
300 |
f |
F |
x,y,z |
1_555 |
23 |
12 |
9096 |
152.6 |
-17.0 |
0.348 |
1 |
0 |
0 |
0.426 |
110 |
|
[SF4]O:182 |
8 |
1 |
304 |
f |
O |
x,y,z |
1_555 |
23 |
12 |
9096 |
152.6 |
-17.0 |
0.345 |
2 |
0 |
0 |
0.426 |
| Average: |
153.1 |
-17.1 |
0.341 |
2 |
0 |
0 |
0.426 |
| 35 |
111 |
|
3 |
18 |
7 |
31982 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
16486 |
154.1 |
-0.8 |
0.338 |
0 |
0 |
0 |
0.000 |
| 36 |
112 |
|
[FES]U:787 |
4 |
1 |
235 |
f |
U |
x,y,z |
1_555 |
22 |
14 |
31923 |
131.9 |
-16.8 |
0.580 |
2 |
0 |
0 |
0.170 |
113 |
|
[FES]C:787 |
4 |
1 |
234 |
f |
C |
x,y,z |
1_555 |
22 |
14 |
31943 |
130.8 |
-16.7 |
0.592 |
3 |
0 |
0 |
0.170 |
114 |
|
[FES]L:787 |
4 |
1 |
230 |
f |
L |
x,y,z |
1_555 |
23 |
14 |
31926 |
128.0 |
-16.3 |
0.592 |
2 |
0 |
0 |
0.170 |
115 |
|
[FES]3:787 |
4 |
1 |
231 |
f |
3 |
x,y,z |
1_555 |
23 |
15 |
31982 |
127.4 |
-16.2 |
0.601 |
4 |
0 |
0 |
0.170 |
| Average: |
129.5 |
-16.5 |
0.591 |
3 |
0 |
0 |
0.170 |
| 37 |
116 |
|
Q |
7 |
2 |
7579 |
◊ |
J |
x,y,z |
1_555 |
23 |
6 |
18253 |
120.7 |
-1.8 |
0.215 |
0 |
0 |
0 |
0.012 |
117 |
|
H |
7 |
2 |
7608 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
18258 |
120.7 |
-1.7 |
0.226 |
0 |
0 |
0 |
0.012 |
118 |
|
Z |
7 |
2 |
7584 |
◊ |
S |
x,y,z |
1_555 |
23 |
6 |
18267 |
119.7 |
-1.8 |
0.220 |
0 |
0 |
0 |
0.012 |
119 |
|
7 |
7 |
2 |
7587 |
◊ |
1 |
x,y,z |
1_555 |
22 |
6 |
18254 |
119.0 |
-1.8 |
0.213 |
0 |
0 |
0 |
0.012 |
| Average: |
120.0 |
-1.7 |
0.219 |
0 |
0 |
0 |
0.012 |
| 38 |
120 |
|
[FES]K:182 |
4 |
1 |
231 |
f |
K |
x,y,z |
1_555 |
18 |
10 |
10456 |
112.2 |
-14.5 |
0.620 |
4 |
0 |
0 |
0.180 |
121 |
|
[FES]B:182 |
4 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
10442 |
111.8 |
-14.7 |
0.616 |
3 |
0 |
0 |
0.180 |
122 |
|
[FES]T:182 |
4 |
1 |
233 |
f |
T |
x,y,z |
1_555 |
17 |
10 |
10445 |
111.5 |
-14.6 |
0.610 |
3 |
0 |
0 |
0.180 |
123 |
|
[FES]2:182 |
4 |
1 |
232 |
f |
2 |
x,y,z |
1_555 |
17 |
10 |
10440 |
110.1 |
-14.4 |
0.625 |
4 |
0 |
0 |
0.180 |
| Average: |
111.4 |
-14.6 |
0.618 |
4 |
0 |
0 |
0.180 |
| 39 |
124 |
|
K |
12 |
3 |
10456 |
◊ |
1 |
-x+1,y-1/2,-z |
2_645 |
17 |
8 |
18254 |
107.0 |
0.6 |
0.705 |
0 |
3 |
0 |
0.000 |
125 |
|
J |
15 |
6 |
18253 |
◊ |
2 |
-x+1,y-1/2,-z |
2_645 |
10 |
3 |
10440 |
97.7 |
0.6 |
0.719 |
0 |
3 |
0 |
0.000 |
| Average: |
102.3 |
0.6 |
0.712 |
0 |
3 |
0 |
0.000 |
| 40 |
126 |
|
Z |
15 |
5 |
7584 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
13789 |
95.4 |
0.5 |
0.728 |
1 |
1 |
0 |
0.000 |
| 41 |
127 |
|
U |
8 |
3 |
31923 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18258 |
81.3 |
2.1 |
0.784 |
2 |
0 |
0 |
0.000 |
| 42 |
128 |
|
U |
14 |
6 |
31923 |
◊ |
3 |
x,y,z |
1_555 |
15 |
9 |
31982 |
71.3 |
0.9 |
0.678 |
0 |
0 |
0 |
0.000 |
| 43 |
129 |
|
3 |
10 |
2 |
31982 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
13789 |
68.3 |
2.1 |
0.870 |
0 |
0 |
0 |
0.000 |
| 44 |
130 |
|
K |
14 |
5 |
10456 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
31943 |
65.2 |
0.5 |
0.646 |
1 |
0 |
0 |
0.000 |
| 45 |
131 |
|
[SF4]C:784 |
5 |
1 |
301 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
16486 |
55.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
132 |
|
[SF4]L:784 |
5 |
1 |
301 |
◊ |
M |
x,y,z |
1_555 |
11 |
4 |
16469 |
53.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
133 |
|
[SF4]3:784 |
5 |
1 |
299 |
◊ |
4 |
x,y,z |
1_555 |
10 |
4 |
16489 |
53.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
134 |
|
[SF4]U:784 |
5 |
1 |
301 |
◊ |
V |
x,y,z |
1_555 |
9 |
4 |
16465 |
51.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
53.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| 46 |
135 |
|
[SF4]X:182 |
4 |
1 |
306 |
◊ |
V |
x,y,z |
1_555 |
16 |
4 |
16465 |
51.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
136 |
|
[SF4]O:182 |
4 |
1 |
304 |
◊ |
M |
x,y,z |
1_555 |
15 |
4 |
16469 |
51.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.086 |
137 |
|
[SF4]6:182 |
4 |
1 |
303 |
◊ |
4 |
x,y,z |
1_555 |
15 |
4 |
16489 |
51.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
138 |
|
[SF4]F:182 |
4 |
1 |
300 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
16486 |
49.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
50.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
| 47 |
139 |
|
D |
10 |
5 |
16486 |
◊ |
T |
x,y,z |
1_555 |
10 |
5 |
10445 |
49.9 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
| 48 |
140 |
|
3 |
2 |
1 |
31982 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
18253 |
48.4 |
1.2 |
0.743 |
2 |
0 |
0 |
0.000 |
141 |
|
1 |
4 |
3 |
18254 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
31926 |
33.8 |
0.8 |
0.750 |
0 |
0 |
0 |
0.000 |
142 |
|
C |
2 |
1 |
31943 |
◊ |
S |
x-1,y,z |
1_455 |
2 |
1 |
18267 |
7.7 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
| Average: |
30.0 |
0.6 |
0.683 |
1 |
0 |
0 |
0.000 |
| 49 |
143 |
|
M |
3 |
2 |
16469 |
◊ |
3 |
x,y,z |
1_555 |
3 |
2 |
31982 |
32.0 |
0.2 |
0.376 |
0 |
0 |
0 |
0.000 |
144 |
|
4 |
1 |
1 |
16489 |
◊ |
L |
x-1,y,z |
1_455 |
1 |
1 |
31926 |
1.4 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
16.7 |
0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
| 50 |
145 |
|
E |
4 |
2 |
13789 |
◊ |
T |
x,y,z |
1_555 |
6 |
2 |
10445 |
29.9 |
-0.3 |
0.561 |
0 |
0 |
0 |
0.000 |
| 51 |
146 |
|
[FES]T:182 |
2 |
1 |
233 |
◊ |
S |
x,y,z |
1_555 |
8 |
5 |
18267 |
25.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.028 |
147 |
|
[FES]B:182 |
2 |
1 |
234 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
18258 |
23.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.028 |
148 |
|
[FES]2:182 |
2 |
1 |
232 |
◊ |
1 |
x,y,z |
1_555 |
5 |
3 |
18254 |
23.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
149 |
|
[FES]K:182 |
2 |
1 |
231 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
18253 |
21.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
23.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 52 |
150 |
|
[SF4]X:182 |
4 |
1 |
306 |
◊ |
Y |
x,y,z |
1_555 |
2 |
1 |
9166 |
20.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
151 |
|
[SF4]O:182 |
4 |
1 |
304 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
9162 |
20.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.022 |
152 |
|
[SF4]6:182 |
4 |
1 |
303 |
◊ |
9 |
x,y,z |
1_555 |
2 |
1 |
9158 |
20.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.022 |
153 |
|
[SF4]F:182 |
4 |
1 |
300 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
9166 |
20.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
20.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 53 |
154 |
|
A |
2 |
1 |
18258 |
◊ |
T |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
10445 |
14.8 |
-0.3 |
0.395 |
0 |
0 |
0 |
0.000 |
| 54 |
155 |
|
2 |
2 |
1 |
10440 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
31943 |
10.4 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
| 55 |
156 |
|
7 |
2 |
1 |
7587 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
13786 |
7.1 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
157 |
|
5 |
1 |
1 |
13790 |
◊ |
Q |
x-1,y,z |
1_455 |
1 |
1 |
7579 |
2.8 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| Average: |
4.9 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
| 56 |
158 |
|
[SF4]G:184 |
1 |
1 |
301 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
31943 |
3.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
159 |
|
[SF4]Y:184 |
1 |
1 |
303 |
◊ |
U |
x,y,z |
1_555 |
1 |
1 |
31923 |
3.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
160 |
|
[SF4]P:184 |
1 |
1 |
300 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
31926 |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
161 |
|
[SF4]9:184 |
1 |
1 |
300 |
◊ |
3 |
x,y,z |
1_555 |
1 |
1 |
31982 |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
3.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 57 |
162 |
|
[FMN]7:500 |
1 |
1 |
622 |
f |
[SF4]1:439 |
x,y,z |
1_555 |
2 |
1 |
299 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
163 |
|
[FMN]Z:500 |
1 |
1 |
619 |
f |
[SF4]S:439 |
x,y,z |
1_555 |
2 |
1 |
303 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
164 |
|
[FMN]H:500 |
1 |
1 |
624 |
f |
[SF4]A:439 |
x,y,z |
1_555 |
2 |
1 |
302 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
165 |
|
[FMN]Q:500 |
1 |
1 |
625 |
f |
[SF4]J:439 |
x,y,z |
1_555 |
2 |
1 |
300 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 58 |
166 |
|
[SF4]G:183 |
1 |
1 |
299 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16486 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
167 |
|
[SF4]Y:183 |
1 |
1 |
305 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
16465 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
168 |
|
[SF4]9:183 |
1 |
1 |
301 |
◊ |
4 |
x,y,z |
1_555 |
1 |
1 |
16489 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
169 |
|
[SF4]P:183 |
1 |
1 |
299 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
16469 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 59 |
170 |
|
G |
1 |
1 |
9166 |
◊ |
S |
x-1,y,z |
1_455 |
1 |
1 |
18267 |
0.1 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|