## |
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 |
132 |
34 |
6617 |
◊ |
A |
x,y,z |
1_555 |
141 |
43 |
15466 |
1285.3 |
-10.7 |
0.147 |
17 |
4 |
0 |
0.034 |
2 |
|
D |
128 |
33 |
6666 |
◊ |
C |
x,y,z |
1_555 |
135 |
39 |
15405 |
1246.8 |
-7.8 |
0.177 |
20 |
6 |
0 |
0.034 |
Average: |
1266.0 |
-9.2 |
0.162 |
19 |
5 |
0 |
0.034 |
2 |
3 |
|
E |
69 |
9 |
1474 |
◊ |
C |
x,y,z |
1_555 |
124 |
36 |
15405 |
878.1 |
-9.1 |
0.462 |
17 |
1 |
0 |
0.036 |
4 |
|
F |
73 |
9 |
1517 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
15466 |
848.0 |
-9.0 |
0.460 |
17 |
1 |
0 |
0.036 |
Average: |
863.0 |
-9.0 |
0.461 |
17 |
1 |
0 |
0.036 |
3 |
5 |
|
A |
79 |
19 |
15466 |
◊ |
C |
x,y,z-1 |
1_554 |
74 |
18 |
15405 |
641.7 |
-1.0 |
0.468 |
1 |
5 |
0 |
0.002 |
4 |
6 |
|
C |
58 |
16 |
15405 |
◊ |
A |
x-1,y-1,z |
1_445 |
59 |
16 |
15466 |
561.6 |
-4.3 |
0.203 |
5 |
3 |
0 |
0.008 |
5 |
7 |
|
D |
34 |
11 |
6666 |
◊ |
A |
x,y-1,z+1 |
1_546 |
37 |
10 |
15466 |
322.3 |
2.4 |
0.741 |
1 |
1 |
0 |
0.000 |
6 |
8 |
|
A |
36 |
10 |
15466 |
x |
A |
x,y-1,z |
1_545 |
32 |
7 |
15466 |
302.7 |
3.6 |
0.838 |
5 |
1 |
0 |
0.000 |
7 |
9 |
|
C |
30 |
9 |
15405 |
◊ |
A |
x-1,y,z+1 |
1_456 |
32 |
10 |
15466 |
286.5 |
-1.1 |
0.400 |
5 |
1 |
0 |
0.004 |
8 |
10 |
|
C |
28 |
10 |
15405 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
9 |
6617 |
285.7 |
2.0 |
0.760 |
4 |
2 |
0 |
0.000 |
9 |
11 |
|
D |
27 |
11 |
6666 |
◊ |
B |
x,y-1,z |
1_545 |
28 |
7 |
6617 |
270.8 |
0.3 |
0.609 |
4 |
0 |
0 |
0.004 |
10 |
12 |
|
C |
27 |
8 |
15405 |
◊ |
A |
x,y-1,z+1 |
1_546 |
36 |
11 |
15466 |
268.7 |
2.5 |
0.717 |
2 |
3 |
0 |
0.000 |
11 |
13 |
|
A |
27 |
8 |
15466 |
◊ |
B |
x,y,z-1 |
1_554 |
31 |
10 |
6617 |
267.4 |
-0.2 |
0.513 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
26 |
7 |
6617 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
15405 |
262.1 |
1.8 |
0.742 |
2 |
4 |
0 |
0.000 |
13 |
15 |
|
A |
29 |
7 |
15466 |
◊ |
E |
x,y,z-1 |
1_554 |
23 |
4 |
1474 |
215.5 |
-2.6 |
0.496 |
3 |
0 |
0 |
0.008 |
16 |
|
F |
21 |
4 |
1517 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
7 |
15405 |
208.8 |
-2.5 |
0.508 |
1 |
0 |
0 |
0.008 |
Average: |
212.2 |
-2.5 |
0.502 |
2 |
0 |
0 |
0.008 |
14 |
17 |
|
C |
24 |
9 |
15405 |
x |
C |
x,y,z-1 |
1_554 |
25 |
7 |
15405 |
188.2 |
-0.5 |
0.474 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
19 |
7 |
15405 |
◊ |
B |
x-1,y,z+1 |
1_456 |
17 |
5 |
6617 |
182.3 |
-1.7 |
0.308 |
2 |
0 |
0 |
0.002 |
16 |
19 |
|
C |
22 |
6 |
15405 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
15466 |
175.3 |
-2.2 |
0.230 |
0 |
0 |
0 |
0.003 |
17 |
20 |
|
[K]A:316 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
15466 |
126.5 |
-82.6 |
0.000 |
0 |
0 |
0 |
0.113 |
18 |
21 |
|
D |
16 |
6 |
6666 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
5 |
15405 |
122.0 |
2.3 |
0.809 |
1 |
1 |
0 |
0.000 |
19 |
22 |
|
[K]B:106 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
6617 |
118.8 |
-80.6 |
0.000 |
0 |
0 |
0 |
0.251 |
20 |
23 |
|
[K]A:315 |
1 |
1 |
216 |
f |
C |
x,y,z-1 |
1_554 |
17 |
7 |
15405 |
102.2 |
-69.6 |
0.000 |
0 |
0 |
0 |
0.176 |
21 |
24 |
|
[K]C:309 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
15405 |
100.8 |
-68.0 |
0.000 |
0 |
0 |
0 |
0.172 |
22 |
25 |
|
C |
14 |
5 |
15405 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
2 |
15466 |
100.2 |
0.6 |
0.666 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[K]C:308 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
15405 |
95.5 |
-64.8 |
0.000 |
0 |
0 |
0 |
0.164 |
27 |
|
[K]C:311 |
1 |
1 |
216 |
f |
A |
x-1,y-1,z |
1_445 |
10 |
5 |
15466 |
90.6 |
-58.8 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
93.1 |
-61.8 |
0.000 |
0 |
0 |
0 |
0.164 |
24 |
28 |
|
[K]A:314 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
15466 |
94.9 |
-79.4 |
0.000 |
0 |
0 |
0 |
0.109 |
25 |
29 |
|
[K]B:107 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6617 |
94.7 |
-60.7 |
0.000 |
0 |
0 |
0 |
0.189 |
26 |
30 |
|
[K]C:310 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
15405 |
92.0 |
-58.3 |
0.000 |
0 |
0 |
0 |
0.148 |
27 |
31 |
|
[BR]B:105 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
6617 |
82.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.037 |
28 |
32 |
|
[K]A:313 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15466 |
80.5 |
-48.2 |
0.000 |
0 |
0 |
0 |
0.066 |
29 |
33 |
|
[K]B:107 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
15466 |
78.4 |
-40.2 |
0.000 |
0 |
0 |
0 |
0.055 |
30 |
34 |
|
[CL]B:103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
6617 |
78.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.032 |
31 |
35 |
|
[CL]A:311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15466 |
77.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.016 |
32 |
36 |
|
[K]C:311 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
15405 |
74.0 |
-41.1 |
0.000 |
0 |
0 |
0 |
0.088 |
37 |
|
[K]C:308 |
1 |
1 |
216 |
◊ |
A |
x-1,y-1,z |
1_445 |
7 |
2 |
15466 |
70.7 |
-39.6 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
72.3 |
-40.3 |
0.000 |
0 |
0 |
0 |
0.088 |
33 |
38 |
|
[CL]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
15405 |
72.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.027 |
34 |
39 |
|
[CL]B:104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
6617 |
67.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.029 |
35 |
40 |
|
F |
10 |
2 |
1517 |
◊ |
E |
x,y,z-1 |
1_554 |
10 |
2 |
1474 |
67.4 |
-2.2 |
0.503 |
0 |
0 |
0 |
0.013 |
36 |
41 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15466 |
65.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.015 |
37 |
42 |
|
[ZN]D:101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
6666 |
63.8 |
-37.9 |
0.000 |
0 |
0 |
0 |
0.118 |
38 |
43 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
15405 |
63.7 |
-37.7 |
0.000 |
0 |
0 |
0 |
0.096 |
44 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15466 |
63.5 |
-36.6 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
63.6 |
-37.2 |
0.000 |
0 |
0 |
0 |
0.096 |
39 |
45 |
|
[CL]A:312 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15466 |
63.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
46 |
|
[NA]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
15405 |
63.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.022 |
41 |
47 |
|
[K]F:102 |
1 |
1 |
216 |
◊ |
E |
x,y,z-1 |
1_554 |
13 |
3 |
1474 |
63.0 |
-35.0 |
0.000 |
0 |
0 |
0 |
0.415 |
48 |
|
[K]F:102 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
1517 |
59.8 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.415 |
Average: |
61.4 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.415 |
42 |
49 |
|
D |
10 |
4 |
6666 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
4 |
1 |
15466 |
62.3 |
0.5 |
0.684 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[K]C:309 |
1 |
1 |
216 |
◊ |
A |
x-1,y,z+1 |
1_456 |
10 |
5 |
15466 |
61.7 |
-36.4 |
0.000 |
0 |
0 |
0 |
0.042 |
44 |
51 |
|
D |
4 |
2 |
6666 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
4 |
15466 |
61.4 |
0.3 |
0.582 |
1 |
0 |
0 |
0.000 |
45 |
52 |
|
C |
4 |
1 |
15405 |
x |
C |
x-1,y,z |
1_455 |
9 |
5 |
15405 |
61.2 |
0.4 |
0.634 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
15405 |
61.0 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.086 |
54 |
|
[ZN]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15466 |
57.6 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
59.3 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.086 |
47 |
55 |
|
[K]C:310 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
6666 |
59.8 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.063 |
48 |
56 |
|
[ZN]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
15405 |
58.0 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.086 |
49 |
57 |
|
[K]A:315 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15466 |
57.6 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.026 |
50 |
58 |
|
[ZN]A:305 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
15466 |
55.7 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.044 |
51 |
59 |
|
[NA]C:306 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
6666 |
55.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.021 |
52 |
60 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15466 |
55.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.010 |
53 |
61 |
|
[K]F:101 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
1517 |
54.0 |
-30.3 |
0.000 |
0 |
0 |
0 |
0.183 |
54 |
62 |
|
[CL]A:309 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15466 |
52.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.004 |
55 |
63 |
|
[NA]C:305 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
15405 |
52.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.017 |
64 |
|
[NA]A:306 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
15466 |
51.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.017 |
65 |
|
[NA]C:305 |
1 |
1 |
125 |
◊ |
A |
x-1,y-1,z |
1_445 |
5 |
2 |
15466 |
30.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.017 |
66 |
|
C |
3 |
1 |
15405 |
◊ |
[NA]A:306 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
29.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
40.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.017 |
56 |
67 |
|
[K]A:314 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
1517 |
51.5 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.032 |
57 |
68 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15466 |
50.5 |
-29.1 |
0.000 |
0 |
0 |
0 |
0.040 |
58 |
69 |
|
D |
6 |
3 |
6666 |
f |
[CL]A:308 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
50.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.017 |
59 |
70 |
|
D |
11 |
6 |
6666 |
f |
[ZN]B:101 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
48.5 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.080 |
60 |
71 |
|
[K]A:313 |
1 |
1 |
216 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
3 |
15405 |
47.5 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.021 |
61 |
72 |
|
[K]F:101 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
15466 |
46.5 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.019 |
62 |
73 |
|
[K]A:313 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
15405 |
46.2 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.027 |
63 |
74 |
|
[NA]C:306 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
15405 |
42.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.010 |
64 |
75 |
|
[ZN]B:102 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6617 |
39.0 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.062 |
65 |
76 |
|
[ZN]A:301 |
1 |
1 |
98 |
cf |
B |
x,y,z-1 |
1_554 |
6 |
3 |
6617 |
36.5 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.080 |
66 |
77 |
|
[K]F:102 |
1 |
1 |
216 |
f |
[K]F:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
36.1 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.218 |
67 |
78 |
|
[CL]A:308 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15466 |
35.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.003 |
68 |
79 |
|
[CL]A:307 |
1 |
1 |
125 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
6617 |
33.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.005 |
69 |
80 |
|
[K]F:101 |
1 |
1 |
216 |
◊ |
E |
x,y,z-1 |
1_554 |
9 |
4 |
1474 |
32.9 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.091 |
70 |
81 |
|
D |
5 |
3 |
6666 |
◊ |
A |
x-1,y,z+1 |
1_456 |
2 |
2 |
15466 |
32.0 |
0.2 |
0.628 |
0 |
0 |
0 |
0.000 |
71 |
82 |
|
[K]F:101 |
1 |
1 |
216 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
2 |
15405 |
31.7 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.012 |
72 |
83 |
|
[CL]A:308 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6617 |
30.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.011 |
73 |
84 |
|
[ZN]B:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6617 |
30.4 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.043 |
74 |
85 |
|
A |
5 |
2 |
15466 |
◊ |
[ZN]B:102 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
29.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.017 |
75 |
86 |
|
[K]F:102 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
15466 |
28.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.016 |
87 |
|
[K]F:102 |
1 |
1 |
216 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
15405 |
22.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
25.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.016 |
76 |
88 |
|
[K]A:313 |
1 |
1 |
216 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
2 |
1474 |
25.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.015 |
77 |
89 |
|
[K]B:106 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
15405 |
25.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.011 |
78 |
90 |
|
[CL]A:309 |
1 |
1 |
125 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
15405 |
24.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.002 |
79 |
91 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
15405 |
22.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.007 |
80 |
92 |
|
[CL]A:309 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
1517 |
21.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.014 |
81 |
93 |
|
D |
3 |
2 |
6666 |
◊ |
[CL]B:104 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
20.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.007 |
82 |
94 |
|
[K]F:101 |
1 |
1 |
216 |
f |
[CL]A:309 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.066 |
83 |
95 |
|
D |
2 |
1 |
6666 |
◊ |
[ZN]B:102 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
14.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.019 |
84 |
96 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15466 |
14.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.005 |
85 |
97 |
|
[NA]C:305 |
1 |
1 |
125 |
f |
[NA]A:306 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
13.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.100 |
86 |
98 |
|
[K]A:315 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1517 |
12.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.015 |
87 |
99 |
|
[K]C:311 |
1 |
1 |
216 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
6617 |
11.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
100 |
|
[K]C:308 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6666 |
8.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
9.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.008 |
88 |
101 |
|
[CL]A:312 |
1 |
1 |
125 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
6617 |
9.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
102 |
|
[K]A:316 |
1 |
1 |
216 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.012 |
90 |
103 |
|
[CL]A:310 |
1 |
1 |
125 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
15466 |
8.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
91 |
104 |
|
D |
3 |
1 |
6666 |
◊ |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
15466 |
7.9 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
92 |
105 |
|
[K]A:315 |
1 |
1 |
216 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
1 |
1474 |
6.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.003 |
93 |
106 |
|
[K]C:309 |
1 |
1 |
216 |
◊ |
B |
x-1,y,z+1 |
1_456 |
2 |
1 |
6617 |
4.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.002 |
94 |
107 |
|
[ZN]A:305 |
1 |
1 |
98 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
15466 |
2.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
95 |
108 |
|
C |
2 |
1 |
15405 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
15466 |
2.4 |
-0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
|