| ## |
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 |
|
C |
154 |
34 |
12869 |
◊ |
B |
x,y,z |
1_555 |
175 |
43 |
12905 |
1579.7 |
-9.7 |
0.272 |
18 |
3 |
0 |
1.000 |
2 |
|
Q |
149 |
33 |
12879 |
◊ |
P |
x,y,z |
1_555 |
177 |
42 |
12903 |
1529.9 |
-9.6 |
0.277 |
17 |
3 |
0 |
1.000 |
| Average: |
1554.8 |
-9.7 |
0.275 |
18 |
3 |
0 |
1.000 |
| 2 |
3 |
|
I |
167 |
48 |
9769 |
◊ |
H |
x,y,z |
1_555 |
153 |
40 |
12929 |
1557.1 |
-13.0 |
0.292 |
27 |
19 |
0 |
1.000 |
4 |
|
W |
171 |
49 |
9772 |
◊ |
V |
x,y,z |
1_555 |
151 |
40 |
12951 |
1552.4 |
-13.1 |
0.294 |
27 |
19 |
0 |
1.000 |
| Average: |
1554.8 |
-13.1 |
0.293 |
27 |
19 |
0 |
1.000 |
| 3 |
5 |
|
U |
154 |
41 |
12641 |
◊ |
O |
x,y,z |
1_555 |
138 |
38 |
13070 |
1401.8 |
-15.9 |
0.141 |
15 |
4 |
0 |
0.583 |
6 |
|
G |
152 |
40 |
12639 |
◊ |
A |
x,y,z |
1_555 |
140 |
38 |
13087 |
1388.1 |
-15.6 |
0.149 |
14 |
4 |
0 |
0.583 |
| Average: |
1394.9 |
-15.8 |
0.145 |
15 |
4 |
0 |
0.583 |
| 4 |
7 |
|
L |
158 |
39 |
11702 |
◊ |
V |
x,y,z |
1_555 |
136 |
35 |
12951 |
1401.0 |
-6.4 |
0.496 |
17 |
4 |
0 |
1.000 |
8 |
|
Z |
160 |
39 |
11713 |
◊ |
H |
x,y,z |
1_555 |
137 |
35 |
12929 |
1393.6 |
-6.4 |
0.498 |
17 |
4 |
0 |
1.000 |
| Average: |
1397.3 |
-6.4 |
0.497 |
17 |
4 |
0 |
1.000 |
| 5 |
9 |
|
P |
143 |
36 |
12903 |
◊ |
O |
x,y,z |
1_555 |
161 |
43 |
13070 |
1358.4 |
-16.6 |
0.115 |
12 |
1 |
0 |
0.257 |
10 |
|
B |
141 |
36 |
12905 |
◊ |
A |
x,y,z |
1_555 |
155 |
43 |
13087 |
1348.9 |
-16.4 |
0.114 |
12 |
1 |
0 |
0.257 |
| Average: |
1353.7 |
-16.5 |
0.115 |
12 |
1 |
0 |
0.257 |
| 6 |
11 |
|
G |
135 |
32 |
12639 |
◊ |
F |
x,y,z |
1_555 |
156 |
41 |
12250 |
1355.4 |
-13.4 |
0.173 |
21 |
4 |
0 |
0.249 |
12 |
|
U |
134 |
32 |
12641 |
◊ |
T |
x,y,z |
1_555 |
158 |
40 |
12261 |
1351.4 |
-13.5 |
0.171 |
21 |
4 |
0 |
0.249 |
| Average: |
1353.4 |
-13.4 |
0.172 |
21 |
4 |
0 |
0.249 |
| 7 |
13 |
|
T |
143 |
34 |
12261 |
◊ |
S |
x,y,z |
1_555 |
146 |
39 |
11716 |
1303.5 |
-12.3 |
0.166 |
15 |
4 |
0 |
1.000 |
14 |
|
F |
142 |
34 |
12250 |
◊ |
E |
x,y,z |
1_555 |
146 |
39 |
11712 |
1296.9 |
-12.3 |
0.163 |
15 |
4 |
0 |
1.000 |
| Average: |
1300.2 |
-12.3 |
0.165 |
15 |
4 |
0 |
1.000 |
| 8 |
15 |
|
D |
130 |
37 |
12603 |
◊ |
C |
x,y,z |
1_555 |
142 |
37 |
12869 |
1282.1 |
-11.6 |
0.133 |
16 |
2 |
0 |
1.000 |
16 |
|
R |
127 |
36 |
12599 |
◊ |
Q |
x,y,z |
1_555 |
140 |
36 |
12879 |
1278.5 |
-11.4 |
0.132 |
17 |
2 |
0 |
1.000 |
| Average: |
1280.3 |
-11.5 |
0.133 |
17 |
2 |
0 |
1.000 |
| 9 |
17 |
|
N |
137 |
40 |
9527 |
◊ |
1 |
x,y,z |
1_555 |
133 |
30 |
12289 |
1272.1 |
-7.8 |
0.394 |
24 |
4 |
0 |
1.000 |
18 |
|
2 |
135 |
40 |
9523 |
◊ |
M |
x,y,z |
1_555 |
133 |
30 |
12288 |
1267.4 |
-7.8 |
0.396 |
24 |
4 |
0 |
1.000 |
| Average: |
1269.7 |
-7.8 |
0.395 |
24 |
4 |
0 |
1.000 |
| 10 |
19 |
|
S |
124 |
37 |
11716 |
◊ |
R |
x,y,z |
1_555 |
130 |
37 |
12599 |
1206.4 |
-8.4 |
0.238 |
15 |
4 |
0 |
1.000 |
20 |
|
E |
119 |
37 |
11712 |
◊ |
D |
x,y,z |
1_555 |
125 |
37 |
12603 |
1180.3 |
-8.3 |
0.232 |
15 |
4 |
0 |
1.000 |
| Average: |
1193.4 |
-8.3 |
0.235 |
15 |
4 |
0 |
1.000 |
| 11 |
21 |
|
K |
102 |
28 |
10131 |
◊ |
W |
x,y,z |
1_555 |
101 |
24 |
9772 |
936.7 |
-3.8 |
0.533 |
20 |
4 |
0 |
0.636 |
22 |
|
Y |
104 |
28 |
10141 |
◊ |
I |
x,y,z |
1_555 |
102 |
24 |
9769 |
936.3 |
-3.8 |
0.539 |
20 |
4 |
0 |
0.636 |
| Average: |
936.5 |
-3.8 |
0.536 |
20 |
4 |
0 |
0.636 |
| 12 |
23 |
|
M |
96 |
29 |
12288 |
◊ |
L |
x,y,z |
1_555 |
99 |
30 |
11702 |
930.1 |
1.6 |
0.750 |
13 |
10 |
0 |
0.100 |
24 |
|
1 |
94 |
28 |
12289 |
◊ |
Z |
x,y,z |
1_555 |
99 |
30 |
11713 |
928.0 |
1.5 |
0.749 |
13 |
11 |
0 |
0.100 |
| Average: |
929.1 |
1.6 |
0.750 |
13 |
11 |
0 |
0.100 |
| 13 |
25 |
|
M |
87 |
23 |
12288 |
◊ |
V |
x,y,z |
1_555 |
95 |
26 |
12951 |
898.3 |
-10.6 |
0.174 |
4 |
2 |
0 |
0.219 |
26 |
|
1 |
86 |
23 |
12289 |
◊ |
H |
x,y,z |
1_555 |
96 |
26 |
12929 |
895.3 |
-10.9 |
0.162 |
4 |
2 |
0 |
0.219 |
| Average: |
896.8 |
-10.7 |
0.168 |
4 |
2 |
0 |
0.219 |
| 14 |
27 |
|
K |
83 |
20 |
10131 |
◊ |
X |
x,y,z |
1_555 |
82 |
19 |
10263 |
752.8 |
-4.4 |
0.378 |
8 |
9 |
0 |
0.246 |
28 |
|
Y |
85 |
20 |
10141 |
◊ |
J |
x,y,z |
1_555 |
78 |
19 |
10249 |
751.6 |
-4.3 |
0.378 |
9 |
9 |
0 |
0.246 |
| Average: |
752.2 |
-4.3 |
0.378 |
9 |
9 |
0 |
0.246 |
| 15 |
29 |
|
Z |
72 |
20 |
11713 |
◊ |
Y |
x,y,z |
1_555 |
74 |
19 |
10141 |
684.7 |
-3.0 |
0.360 |
12 |
5 |
0 |
0.144 |
30 |
|
L |
69 |
21 |
11702 |
◊ |
K |
x,y,z |
1_555 |
74 |
19 |
10131 |
682.1 |
-3.2 |
0.348 |
12 |
5 |
0 |
0.144 |
| Average: |
683.4 |
-3.1 |
0.354 |
12 |
5 |
0 |
0.144 |
| 16 |
31 |
|
X |
72 |
18 |
10263 |
◊ |
J |
x,y,z |
1_555 |
73 |
18 |
10249 |
676.5 |
-1.8 |
0.518 |
14 |
2 |
0 |
0.065 |
| 17 |
32 |
|
Z |
80 |
21 |
11713 |
◊ |
I |
x,y,z |
1_555 |
82 |
19 |
9769 |
671.0 |
-2.2 |
0.518 |
7 |
6 |
0 |
0.134 |
33 |
|
L |
79 |
21 |
11702 |
◊ |
W |
x,y,z |
1_555 |
84 |
19 |
9772 |
668.5 |
-2.1 |
0.528 |
8 |
6 |
0 |
0.134 |
| Average: |
669.7 |
-2.2 |
0.523 |
8 |
6 |
0 |
0.134 |
| 18 |
34 |
|
V |
59 |
17 |
12951 |
◊ |
O |
x,y,z |
1_555 |
75 |
21 |
13070 |
641.3 |
-4.3 |
0.512 |
11 |
5 |
0 |
0.256 |
35 |
|
H |
59 |
17 |
12929 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
13087 |
637.6 |
-4.3 |
0.500 |
11 |
5 |
0 |
0.256 |
| Average: |
639.5 |
-4.3 |
0.506 |
11 |
5 |
0 |
0.256 |
| 19 |
36 |
|
H |
63 |
15 |
12929 |
◊ |
G |
x,y,z |
1_555 |
69 |
17 |
12639 |
631.9 |
-0.3 |
0.641 |
10 |
12 |
0 |
0.168 |
37 |
|
V |
63 |
15 |
12951 |
◊ |
U |
x,y,z |
1_555 |
71 |
17 |
12641 |
631.7 |
-0.4 |
0.645 |
10 |
12 |
0 |
0.168 |
| Average: |
631.8 |
-0.4 |
0.643 |
10 |
12 |
0 |
0.168 |
| 20 |
38 |
|
Y |
69 |
23 |
10141 |
◊ |
X |
x,y,z |
1_555 |
59 |
18 |
10263 |
619.1 |
-1.7 |
0.550 |
7 |
4 |
0 |
0.084 |
39 |
|
K |
68 |
23 |
10131 |
◊ |
J |
x,y,z |
1_555 |
58 |
18 |
10249 |
614.8 |
-1.6 |
0.555 |
7 |
4 |
0 |
0.084 |
| Average: |
617.0 |
-1.6 |
0.553 |
7 |
4 |
0 |
0.084 |
| 21 |
40 |
|
N |
71 |
16 |
9527 |
◊ |
2 |
x,y,z |
1_555 |
70 |
16 |
9523 |
618.6 |
-3.9 |
0.389 |
10 |
4 |
0 |
0.149 |
| 22 |
41 |
|
1 |
66 |
19 |
12289 |
◊ |
S |
x,y,z |
1_555 |
56 |
14 |
11716 |
588.0 |
-2.3 |
0.477 |
7 |
3 |
0 |
0.087 |
42 |
|
M |
65 |
19 |
12288 |
◊ |
E |
x,y,z |
1_555 |
55 |
14 |
11712 |
587.4 |
-2.4 |
0.459 |
6 |
3 |
0 |
0.087 |
| Average: |
587.7 |
-2.4 |
0.468 |
7 |
3 |
0 |
0.087 |
| 23 |
43 |
|
N |
60 |
20 |
9527 |
◊ |
M |
x,y,z |
1_555 |
72 |
20 |
12288 |
586.2 |
-1.9 |
0.539 |
9 |
2 |
0 |
0.216 |
44 |
|
2 |
60 |
20 |
9523 |
◊ |
1 |
x,y,z |
1_555 |
71 |
20 |
12289 |
585.2 |
-2.5 |
0.514 |
9 |
2 |
0 |
0.216 |
| Average: |
585.7 |
-2.2 |
0.527 |
9 |
2 |
0 |
0.216 |
| 24 |
45 |
|
J |
54 |
20 |
10249 |
◊ |
I |
x,y,z |
1_555 |
62 |
23 |
9769 |
554.3 |
-3.5 |
0.352 |
10 |
5 |
0 |
0.221 |
46 |
|
X |
53 |
20 |
10263 |
◊ |
W |
x,y,z |
1_555 |
60 |
23 |
9772 |
547.7 |
-3.4 |
0.355 |
10 |
4 |
0 |
0.221 |
| Average: |
551.0 |
-3.4 |
0.353 |
10 |
5 |
0 |
0.221 |
| 25 |
47 |
|
X |
57 |
15 |
10263 |
◊ |
P |
x,y,z |
1_555 |
50 |
12 |
12903 |
534.2 |
1.2 |
0.583 |
12 |
3 |
0 |
0.014 |
48 |
|
J |
57 |
15 |
10249 |
◊ |
B |
x,y,z |
1_555 |
49 |
12 |
12905 |
532.9 |
1.2 |
0.586 |
10 |
3 |
0 |
0.014 |
| Average: |
533.6 |
1.2 |
0.584 |
11 |
3 |
0 |
0.014 |
| 26 |
49 |
|
Z |
55 |
15 |
11713 |
◊ |
R |
x,y,z |
1_555 |
59 |
15 |
12599 |
515.7 |
1.6 |
0.757 |
8 |
3 |
0 |
0.007 |
50 |
|
L |
56 |
15 |
11702 |
◊ |
D |
x,y,z |
1_555 |
55 |
14 |
12603 |
507.0 |
1.7 |
0.760 |
8 |
4 |
0 |
0.007 |
| Average: |
511.4 |
1.7 |
0.758 |
8 |
4 |
0 |
0.007 |
| 27 |
51 |
|
I |
60 |
17 |
9769 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
13087 |
511.8 |
-3.3 |
0.490 |
6 |
2 |
0 |
0.048 |
52 |
|
W |
60 |
16 |
9772 |
◊ |
O |
x,y,z |
1_555 |
47 |
12 |
13070 |
507.2 |
-3.4 |
0.483 |
6 |
2 |
0 |
0.048 |
| Average: |
509.5 |
-3.3 |
0.487 |
6 |
2 |
0 |
0.048 |
| 28 |
53 |
|
[BFO]K:999 |
38 |
1 |
915 |
cf |
K |
x,y,z |
1_555 |
73 |
24 |
10131 |
491.9 |
-5.6 |
0.319 |
5 |
0 |
0 |
0.371 |
54 |
|
[BFO]Y:999 |
39 |
1 |
917 |
cf |
Y |
x,y,z |
1_555 |
71 |
24 |
10141 |
491.2 |
-5.5 |
0.327 |
5 |
0 |
0 |
0.371 |
| Average: |
491.6 |
-5.5 |
0.323 |
5 |
0 |
0 |
0.371 |
| 29 |
55 |
|
2 |
46 |
17 |
9523 |
◊ |
V |
x,y,z |
1_555 |
53 |
20 |
12951 |
479.2 |
-1.9 |
0.593 |
9 |
5 |
0 |
0.113 |
56 |
|
N |
45 |
17 |
9527 |
◊ |
H |
x,y,z |
1_555 |
55 |
20 |
12929 |
478.5 |
-1.9 |
0.594 |
9 |
5 |
0 |
0.113 |
| Average: |
478.8 |
-1.9 |
0.594 |
9 |
5 |
0 |
0.113 |
| 30 |
57 |
|
W |
46 |
11 |
9772 |
◊ |
P |
x,y,z |
1_555 |
52 |
13 |
12903 |
471.3 |
-2.1 |
0.476 |
6 |
0 |
0 |
0.016 |
58 |
|
I |
46 |
11 |
9769 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
12905 |
469.3 |
-2.3 |
0.466 |
6 |
0 |
0 |
0.016 |
| Average: |
470.3 |
-2.2 |
0.471 |
6 |
0 |
0 |
0.016 |
| 31 |
59 |
|
N |
51 |
13 |
9527 |
◊ |
F |
x,y,z |
1_555 |
44 |
11 |
12250 |
436.4 |
-1.8 |
0.532 |
8 |
3 |
0 |
0.088 |
60 |
|
2 |
53 |
13 |
9523 |
◊ |
T |
x,y,z |
1_555 |
43 |
11 |
12261 |
436.4 |
-1.7 |
0.541 |
8 |
3 |
0 |
0.088 |
| Average: |
436.4 |
-1.7 |
0.536 |
8 |
3 |
0 |
0.088 |
| 32 |
61 |
|
P |
45 |
16 |
12903 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
51 |
14 |
12603 |
433.0 |
-0.5 |
0.593 |
3 |
0 |
0 |
0.000 |
| 33 |
62 |
|
Y |
36 |
10 |
10141 |
◊ |
R |
x,y,z |
1_555 |
44 |
12 |
12599 |
407.9 |
-2.6 |
0.412 |
3 |
8 |
0 |
0.015 |
63 |
|
K |
36 |
10 |
10131 |
◊ |
D |
x,y,z |
1_555 |
43 |
11 |
12603 |
407.7 |
-2.6 |
0.410 |
3 |
8 |
0 |
0.015 |
| Average: |
407.8 |
-2.6 |
0.411 |
3 |
8 |
0 |
0.015 |
| 34 |
64 |
|
N |
45 |
13 |
9527 |
◊ |
G |
x,y,z |
1_555 |
44 |
13 |
12639 |
407.3 |
-2.7 |
0.398 |
3 |
2 |
0 |
0.048 |
65 |
|
2 |
46 |
13 |
9523 |
◊ |
U |
x,y,z |
1_555 |
45 |
13 |
12641 |
407.2 |
-3.5 |
0.309 |
2 |
1 |
0 |
0.048 |
| Average: |
407.3 |
-3.1 |
0.354 |
3 |
2 |
0 |
0.048 |
| 35 |
66 |
|
J |
39 |
8 |
10249 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
12869 |
392.4 |
-2.7 |
0.271 |
5 |
4 |
0 |
0.017 |
67 |
|
X |
39 |
8 |
10263 |
◊ |
Q |
x,y,z |
1_555 |
45 |
11 |
12879 |
388.8 |
-2.8 |
0.259 |
5 |
4 |
0 |
0.017 |
| Average: |
390.6 |
-2.7 |
0.265 |
5 |
4 |
0 |
0.017 |
| 36 |
68 |
|
M |
43 |
12 |
12288 |
◊ |
F |
x,y,z |
1_555 |
51 |
16 |
12250 |
388.6 |
-0.1 |
0.705 |
8 |
5 |
0 |
0.065 |
69 |
|
1 |
43 |
12 |
12289 |
◊ |
T |
x,y,z |
1_555 |
48 |
16 |
12261 |
387.6 |
-0.1 |
0.700 |
7 |
6 |
0 |
0.065 |
| Average: |
388.1 |
-0.1 |
0.702 |
8 |
6 |
0 |
0.065 |
| 37 |
70 |
|
Z |
32 |
8 |
11713 |
◊ |
S |
x,y,z |
1_555 |
46 |
12 |
11716 |
346.1 |
0.5 |
0.595 |
4 |
1 |
0 |
0.005 |
71 |
|
L |
29 |
7 |
11702 |
◊ |
E |
x,y,z |
1_555 |
46 |
12 |
11712 |
341.8 |
0.5 |
0.587 |
5 |
1 |
0 |
0.005 |
| Average: |
343.9 |
0.5 |
0.591 |
5 |
1 |
0 |
0.005 |
| 38 |
72 |
|
U |
35 |
10 |
12641 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
11 |
13087 |
306.1 |
1.6 |
0.806 |
3 |
0 |
0 |
0.000 |
| 39 |
73 |
|
K |
28 |
12 |
10131 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
12869 |
280.3 |
1.6 |
0.778 |
5 |
8 |
0 |
0.005 |
74 |
|
Y |
28 |
12 |
10141 |
◊ |
Q |
x,y,z |
1_555 |
29 |
9 |
12879 |
278.3 |
1.5 |
0.772 |
5 |
8 |
0 |
0.005 |
| Average: |
279.3 |
1.6 |
0.775 |
5 |
8 |
0 |
0.005 |
| 40 |
75 |
|
U |
37 |
12 |
12641 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
13 |
12639 |
234.1 |
-0.8 |
0.462 |
1 |
0 |
0 |
0.000 |
| 41 |
76 |
|
R |
32 |
11 |
12599 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
17 |
7 |
12905 |
231.3 |
-1.5 |
0.238 |
2 |
1 |
0 |
0.000 |
| 42 |
77 |
|
F |
16 |
4 |
12250 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
13087 |
136.3 |
-1.6 |
0.438 |
2 |
0 |
0 |
0.027 |
78 |
|
T |
15 |
4 |
12261 |
◊ |
O |
x,y,z |
1_555 |
17 |
4 |
13070 |
134.7 |
-1.6 |
0.438 |
2 |
0 |
0 |
0.027 |
| Average: |
135.5 |
-1.6 |
0.438 |
2 |
0 |
0 |
0.027 |
| 43 |
79 |
|
U |
13 |
3 |
12641 |
◊ |
P |
x,y,z |
1_555 |
14 |
2 |
12903 |
131.5 |
-2.5 |
0.167 |
1 |
0 |
0 |
0.035 |
80 |
|
G |
14 |
4 |
12639 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
12905 |
130.2 |
-2.6 |
0.182 |
0 |
0 |
0 |
0.035 |
| Average: |
130.9 |
-2.5 |
0.175 |
1 |
0 |
0 |
0.035 |
| 44 |
81 |
|
T |
15 |
5 |
12261 |
◊ |
P |
x,y,z |
1_555 |
15 |
4 |
12903 |
130.5 |
1.1 |
0.777 |
4 |
0 |
0 |
0.011 |
82 |
|
F |
15 |
5 |
12250 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12905 |
129.4 |
1.0 |
0.776 |
4 |
0 |
0 |
0.011 |
| Average: |
129.9 |
1.0 |
0.776 |
4 |
0 |
0 |
0.011 |
| 45 |
83 |
|
R |
17 |
5 |
12599 |
◊ |
P |
x,y,z |
1_555 |
15 |
3 |
12903 |
130.3 |
0.8 |
0.718 |
1 |
2 |
0 |
0.000 |
84 |
|
D |
16 |
5 |
12603 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12905 |
126.6 |
0.7 |
0.717 |
1 |
2 |
0 |
0.000 |
| Average: |
128.4 |
0.7 |
0.718 |
1 |
2 |
0 |
0.001 |
| 46 |
85 |
|
T |
20 |
7 |
12261 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
12250 |
128.8 |
0.8 |
0.736 |
0 |
1 |
0 |
0.000 |
| 47 |
86 |
|
E |
16 |
6 |
11712 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
12905 |
116.3 |
0.1 |
0.589 |
0 |
0 |
0 |
0.006 |
87 |
|
S |
16 |
6 |
11716 |
◊ |
P |
x,y,z |
1_555 |
12 |
4 |
12903 |
110.5 |
0.1 |
0.597 |
1 |
0 |
0 |
0.006 |
| Average: |
113.4 |
0.1 |
0.593 |
1 |
0 |
0 |
0.006 |
| 48 |
88 |
|
T |
16 |
5 |
12261 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
12639 |
108.3 |
0.1 |
0.627 |
2 |
0 |
0 |
0.000 |
| 49 |
89 |
|
K |
10 |
3 |
10131 |
◊ |
V |
x,y,z |
1_555 |
6 |
2 |
12951 |
85.1 |
-1.5 |
0.278 |
0 |
0 |
0 |
0.018 |
90 |
|
Y |
10 |
3 |
10141 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
12929 |
84.7 |
-1.5 |
0.276 |
0 |
0 |
0 |
0.018 |
| Average: |
84.9 |
-1.5 |
0.277 |
0 |
0 |
0 |
0.018 |
| 50 |
91 |
|
T |
9 |
2 |
12261 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
11712 |
85.1 |
-0.8 |
0.437 |
0 |
0 |
0 |
0.000 |
| 51 |
92 |
|
Q |
15 |
4 |
12879 |
◊ |
O |
x,y,z |
1_555 |
9 |
3 |
13070 |
84.6 |
-1.2 |
0.380 |
0 |
0 |
0 |
0.015 |
93 |
|
C |
14 |
4 |
12869 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13087 |
78.8 |
-1.3 |
0.357 |
0 |
0 |
0 |
0.015 |
| Average: |
81.7 |
-1.3 |
0.368 |
0 |
0 |
0 |
0.015 |
| 52 |
94 |
|
1 |
7 |
3 |
12289 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
12639 |
74.8 |
1.3 |
0.775 |
1 |
0 |
0 |
0.000 |
95 |
|
M |
7 |
3 |
12288 |
◊ |
U |
x,y,z |
1_555 |
8 |
4 |
12641 |
71.0 |
1.0 |
0.734 |
1 |
0 |
0 |
0.000 |
| Average: |
72.9 |
1.1 |
0.755 |
1 |
0 |
0 |
0.000 |
| 53 |
96 |
|
E |
5 |
2 |
11712 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
13087 |
56.5 |
-0.0 |
0.444 |
1 |
0 |
0 |
0.005 |
97 |
|
S |
6 |
2 |
11716 |
◊ |
O |
x,y,z |
1_555 |
6 |
1 |
13070 |
55.1 |
-0.0 |
0.487 |
1 |
0 |
0 |
0.005 |
| Average: |
55.8 |
-0.0 |
0.466 |
1 |
0 |
0 |
0.005 |
| 54 |
98 |
|
[BFO]Y:999 |
5 |
1 |
917 |
◊ |
X |
x,y,z |
1_555 |
5 |
2 |
10263 |
43.6 |
0.6 |
0.383 |
0 |
0 |
0 |
0.000 |
99 |
|
[BFO]K:999 |
5 |
1 |
915 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
10249 |
43.1 |
0.6 |
0.388 |
0 |
0 |
0 |
0.000 |
| Average: |
43.3 |
0.6 |
0.386 |
0 |
0 |
0 |
0.000 |
| 55 |
100 |
|
R |
4 |
2 |
12599 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
13070 |
36.0 |
0.7 |
0.796 |
1 |
0 |
0 |
0.000 |
101 |
|
D |
3 |
2 |
12603 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13087 |
33.2 |
0.7 |
0.798 |
1 |
0 |
0 |
0.000 |
| Average: |
34.6 |
0.7 |
0.797 |
1 |
0 |
0 |
0.000 |
| 56 |
102 |
|
V |
5 |
1 |
12951 |
◊ |
P |
x,y,z |
1_555 |
7 |
3 |
12903 |
32.5 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
103 |
|
H |
5 |
1 |
12929 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12905 |
28.6 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| Average: |
30.5 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
| 57 |
104 |
|
[BFO]K:999 |
3 |
1 |
915 |
◊ |
W |
x,y,z |
1_555 |
2 |
1 |
9772 |
21.7 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
105 |
|
[BFO]Y:999 |
3 |
1 |
917 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
9769 |
21.6 |
0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
| Average: |
21.6 |
0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
| 58 |
106 |
|
U |
4 |
1 |
12641 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
4 |
12250 |
20.3 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
| 59 |
107 |
|
S |
1 |
1 |
11716 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12869 |
5.3 |
-0.0 |
0.503 |
0 |
0 |
0 |
0.000 |
| 60 |
108 |
|
[BFO]K:999 |
1 |
1 |
915 |
◊ |
X |
x,y,z |
1_555 |
1 |
1 |
10263 |
2.5 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
109 |
|
[BFO]Y:999 |
1 |
1 |
917 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
10249 |
2.3 |
-0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
| Average: |
2.4 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
|