## |
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 |
212 |
60 |
16099 |
◊ |
B |
x,y,z |
1_555 |
227 |
66 |
16193 |
2013.4 |
-21.6 |
0.274 |
15 |
2 |
1 |
0.657 |
2 |
|
F |
215 |
57 |
15929 |
◊ |
E |
x,y,z |
1_555 |
219 |
56 |
15893 |
2012.3 |
-24.6 |
0.094 |
22 |
4 |
1 |
0.657 |
3 |
|
L |
215 |
56 |
15952 |
◊ |
K |
x,y,z |
1_555 |
219 |
58 |
16109 |
2001.7 |
-24.2 |
0.107 |
23 |
4 |
1 |
0.657 |
4 |
|
I |
210 |
60 |
16256 |
◊ |
H |
x,y,z |
1_555 |
224 |
64 |
16247 |
1972.9 |
-23.9 |
0.171 |
15 |
3 |
1 |
0.657 |
Average: |
2000.1 |
-23.6 |
0.162 |
19 |
3 |
1 |
0.657 |
2 |
5 |
|
K |
202 |
46 |
16109 |
◊ |
J |
x,y,z |
1_555 |
196 |
50 |
7148 |
1968.7 |
-24.8 |
0.068 |
27 |
5 |
1 |
0.804 |
6 |
|
E |
191 |
47 |
15893 |
◊ |
D |
x,y,z |
1_555 |
201 |
49 |
6416 |
1893.1 |
-20.0 |
0.140 |
20 |
5 |
1 |
0.804 |
7 |
|
B |
195 |
48 |
16193 |
◊ |
A |
x,y,z |
1_555 |
192 |
50 |
6647 |
1875.7 |
-21.6 |
0.220 |
16 |
5 |
1 |
0.804 |
8 |
|
H |
180 |
46 |
16247 |
◊ |
G |
x,y,z |
1_555 |
178 |
49 |
6596 |
1820.1 |
-21.5 |
0.132 |
16 |
3 |
1 |
0.804 |
Average: |
1889.4 |
-22.0 |
0.140 |
20 |
5 |
1 |
0.804 |
3 |
9 |
|
L |
95 |
24 |
15952 |
◊ |
J |
x,y,z |
1_555 |
104 |
28 |
7148 |
930.1 |
-20.0 |
0.015 |
8 |
1 |
1 |
0.734 |
10 |
|
I |
94 |
26 |
16256 |
◊ |
G |
x,y,z |
1_555 |
81 |
26 |
6596 |
869.9 |
-14.2 |
0.094 |
5 |
3 |
1 |
0.734 |
11 |
|
F |
80 |
25 |
15929 |
◊ |
D |
x,y,z |
1_555 |
88 |
23 |
6416 |
794.1 |
-17.1 |
0.021 |
10 |
2 |
1 |
0.734 |
12 |
|
C |
76 |
23 |
16099 |
◊ |
A |
x,y,z |
1_555 |
79 |
25 |
6647 |
757.3 |
-13.4 |
0.108 |
9 |
1 |
1 |
0.734 |
Average: |
837.8 |
-16.2 |
0.059 |
8 |
2 |
1 |
0.734 |
4 |
13 |
|
F |
54 |
14 |
15929 |
◊ |
C |
x,y,z |
1_555 |
51 |
20 |
16099 |
446.8 |
-4.9 |
0.407 |
0 |
0 |
0 |
0.053 |
14 |
|
L |
56 |
15 |
15952 |
◊ |
I |
x,y,z |
1_555 |
48 |
20 |
16256 |
445.9 |
-5.0 |
0.390 |
1 |
0 |
0 |
0.053 |
Average: |
446.3 |
-5.0 |
0.399 |
1 |
0 |
0 |
0.053 |
5 |
15 |
|
S |
29 |
4 |
642 |
◊ |
I |
x,y,z |
1_555 |
48 |
17 |
16256 |
378.0 |
-1.8 |
0.601 |
3 |
2 |
0 |
0.033 |
6 |
16 |
|
O |
28 |
4 |
627 |
◊ |
C |
x,y,z |
1_555 |
49 |
16 |
16099 |
362.5 |
-1.8 |
0.617 |
3 |
2 |
0 |
0.004 |
7 |
17 |
|
T |
27 |
4 |
636 |
◊ |
L |
x,y,z |
1_555 |
46 |
15 |
15952 |
350.4 |
-0.6 |
0.623 |
9 |
3 |
0 |
0.049 |
18 |
|
P |
24 |
4 |
628 |
◊ |
F |
x,y,z |
1_555 |
45 |
15 |
15929 |
346.3 |
-0.2 |
0.656 |
8 |
3 |
0 |
0.049 |
Average: |
348.3 |
-0.4 |
0.640 |
9 |
3 |
0 |
0.049 |
8 |
19 |
|
M |
24 |
4 |
637 |
◊ |
B |
x,y,z |
1_555 |
39 |
15 |
16193 |
327.6 |
-0.4 |
0.648 |
10 |
6 |
0 |
0.103 |
20 |
|
Q |
24 |
4 |
633 |
◊ |
H |
x,y,z |
1_555 |
37 |
15 |
16247 |
324.1 |
-0.4 |
0.624 |
9 |
6 |
0 |
0.103 |
Average: |
325.8 |
-0.4 |
0.636 |
10 |
6 |
0 |
0.103 |
9 |
21 |
|
R |
23 |
4 |
596 |
◊ |
K |
x,y,z |
1_555 |
44 |
15 |
16109 |
324.3 |
-2.5 |
0.518 |
7 |
8 |
0 |
0.031 |
10 |
22 |
|
N |
23 |
4 |
611 |
◊ |
E |
x,y,z |
1_555 |
43 |
14 |
15893 |
318.5 |
-2.4 |
0.502 |
10 |
8 |
0 |
0.376 |
11 |
23 |
|
F |
33 |
12 |
15929 |
◊ |
G |
-x,y,-z+1 |
2_556 |
32 |
9 |
6596 |
288.3 |
-2.0 |
0.410 |
4 |
0 |
0 |
0.000 |
24 |
|
L |
32 |
11 |
15952 |
◊ |
A |
-x,y,-z |
2_555 |
26 |
9 |
6647 |
283.0 |
-1.5 |
0.470 |
5 |
0 |
0 |
0.000 |
Average: |
285.7 |
-1.8 |
0.440 |
5 |
0 |
0 |
0.000 |
12 |
25 |
|
B |
23 |
8 |
16193 |
x |
B |
x,y-1,z |
1_545 |
24 |
8 |
16193 |
216.8 |
-3.2 |
0.328 |
2 |
0 |
0 |
0.000 |
26 |
|
H |
22 |
8 |
16247 |
x |
H |
x,y-1,z |
1_545 |
24 |
7 |
16247 |
210.1 |
-2.4 |
0.432 |
2 |
0 |
0 |
0.000 |
27 |
|
E |
20 |
8 |
15893 |
x |
E |
x,y-1,z |
1_545 |
19 |
7 |
15893 |
175.9 |
-0.7 |
0.572 |
2 |
1 |
0 |
0.000 |
28 |
|
K |
19 |
7 |
16109 |
x |
K |
x,y-1,z |
1_545 |
19 |
8 |
16109 |
175.8 |
-0.7 |
0.583 |
3 |
1 |
0 |
0.000 |
Average: |
194.6 |
-1.8 |
0.479 |
2 |
1 |
0 |
0.000 |
13 |
29 |
|
E |
26 |
11 |
15893 |
◊ |
D |
x,y-1,z |
1_545 |
23 |
6 |
6416 |
199.4 |
-0.8 |
0.548 |
1 |
0 |
0 |
0.000 |
30 |
|
J |
22 |
5 |
7148 |
◊ |
K |
x,y-1,z |
1_545 |
25 |
9 |
16109 |
181.5 |
-1.8 |
0.461 |
2 |
0 |
0 |
0.000 |
31 |
|
A |
19 |
6 |
6647 |
◊ |
B |
x,y-1,z |
1_545 |
23 |
11 |
16193 |
136.3 |
-1.4 |
0.541 |
1 |
0 |
0 |
0.000 |
32 |
|
H |
23 |
10 |
16247 |
◊ |
G |
x,y-1,z |
1_545 |
19 |
6 |
6596 |
128.9 |
-1.1 |
0.560 |
1 |
0 |
0 |
0.000 |
Average: |
161.5 |
-1.3 |
0.528 |
1 |
0 |
0 |
0.000 |
14 |
33 |
|
H |
25 |
10 |
16247 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
25 |
10 |
16247 |
186.9 |
-1.3 |
0.573 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
24 |
10 |
16193 |
◊ |
B |
-x,y,-z |
2_555 |
25 |
10 |
16193 |
185.9 |
-1.3 |
0.578 |
0 |
0 |
0 |
0.000 |
Average: |
186.4 |
-1.3 |
0.575 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
E |
20 |
6 |
15893 |
◊ |
L |
x,y-1,z |
1_545 |
20 |
7 |
15952 |
171.6 |
0.3 |
0.640 |
1 |
1 |
0 |
0.003 |
36 |
|
F |
19 |
7 |
15929 |
◊ |
K |
x-1,y-1,z |
1_445 |
20 |
6 |
16109 |
170.8 |
0.3 |
0.660 |
1 |
1 |
0 |
0.003 |
Average: |
171.2 |
0.3 |
0.650 |
1 |
1 |
0 |
0.003 |
16 |
37 |
|
F |
21 |
8 |
15929 |
◊ |
K |
x,y-1,z |
1_545 |
25 |
8 |
16109 |
148.6 |
1.5 |
0.823 |
1 |
0 |
0 |
0.000 |
38 |
|
E |
25 |
8 |
15893 |
◊ |
L |
x-1,y-1,z |
1_445 |
21 |
8 |
15952 |
143.4 |
1.5 |
0.816 |
1 |
0 |
0 |
0.000 |
Average: |
146.0 |
1.5 |
0.820 |
1 |
0 |
0 |
0.000 |
17 |
39 |
|
F |
20 |
7 |
15929 |
◊ |
K |
x,y,z |
1_555 |
14 |
5 |
16109 |
145.9 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.000 |
40 |
|
E |
14 |
5 |
15893 |
◊ |
L |
x-1,y,z |
1_455 |
20 |
7 |
15952 |
145.2 |
-0.7 |
0.493 |
0 |
0 |
0 |
0.000 |
Average: |
145.5 |
-0.6 |
0.503 |
0 |
0 |
0 |
0.000 |
18 |
41 |
|
E |
15 |
5 |
15893 |
◊ |
I |
x-1,y-1,z |
1_445 |
19 |
8 |
16256 |
137.7 |
-1.5 |
0.446 |
0 |
0 |
0 |
0.001 |
42 |
|
C |
18 |
8 |
16099 |
◊ |
K |
x,y-1,z |
1_545 |
16 |
5 |
16109 |
137.7 |
-1.6 |
0.449 |
0 |
0 |
0 |
0.001 |
Average: |
137.7 |
-1.6 |
0.447 |
0 |
0 |
0 |
0.001 |
19 |
43 |
|
F |
13 |
4 |
15929 |
◊ |
L |
x-1,y,z |
1_455 |
14 |
5 |
15952 |
118.3 |
0.6 |
0.745 |
1 |
0 |
0 |
0.000 |
44 |
|
L |
13 |
4 |
15952 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
15929 |
111.6 |
0.7 |
0.751 |
1 |
0 |
0 |
0.000 |
Average: |
114.9 |
0.6 |
0.748 |
1 |
0 |
0 |
0.000 |
20 |
45 |
|
[NAG]H:470 |
8 |
1 |
347 |
cf |
H |
x,y,z |
1_555 |
12 |
4 |
16247 |
116.9 |
3.2 |
0.541 |
0 |
0 |
0 |
0.000 |
21 |
46 |
|
[NDG]E:470 |
8 |
1 |
354 |
cf |
E |
x,y,z |
1_555 |
15 |
6 |
15893 |
104.8 |
3.0 |
0.480 |
1 |
0 |
0 |
0.000 |
22 |
47 |
|
[NAG]B:470 |
7 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
16 |
5 |
16193 |
102.2 |
2.3 |
0.483 |
0 |
0 |
0 |
0.000 |
23 |
48 |
|
[NAG]K:470 |
8 |
1 |
356 |
cf |
K |
x,y,z |
1_555 |
11 |
3 |
16109 |
82.8 |
2.0 |
0.384 |
1 |
0 |
0 |
0.000 |
24 |
49 |
|
E |
14 |
7 |
15893 |
◊ |
I |
x,y-1,z |
1_545 |
8 |
2 |
16256 |
72.2 |
0.5 |
0.738 |
1 |
0 |
0 |
0.000 |
50 |
|
C |
6 |
2 |
16099 |
◊ |
K |
x-1,y-1,z |
1_445 |
14 |
7 |
16109 |
70.1 |
0.5 |
0.749 |
1 |
0 |
0 |
0.000 |
Average: |
71.1 |
0.5 |
0.744 |
1 |
0 |
0 |
0.000 |
25 |
51 |
|
[NDG]E:470 |
6 |
1 |
354 |
◊ |
N |
x,y,z |
1_555 |
7 |
2 |
611 |
65.9 |
0.7 |
0.286 |
0 |
0 |
0 |
0.000 |
26 |
52 |
|
E |
8 |
2 |
15893 |
◊ |
S |
x-1,y-1,z |
1_445 |
4 |
1 |
642 |
56.7 |
0.8 |
0.736 |
0 |
0 |
0 |
0.000 |
27 |
53 |
|
[NH2]T:5 |
1 |
1 |
117 |
cf |
T |
x,y,z |
1_555 |
9 |
2 |
636 |
54.5 |
0.3 |
0.710 |
0 |
0 |
0 |
0.000 |
54 |
|
[NH2]S:5 |
1 |
1 |
117 |
cf |
S |
x,y,z |
1_555 |
6 |
2 |
642 |
51.4 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
Average: |
53.0 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
28 |
55 |
|
[NH2]P:5 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
4 |
1 |
628 |
50.0 |
0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
56 |
|
[NH2]R:5 |
1 |
1 |
117 |
cf |
R |
x,y,z |
1_555 |
4 |
1 |
596 |
49.9 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
57 |
|
[NH2]N:5 |
1 |
1 |
117 |
cf |
N |
x,y,z |
1_555 |
5 |
2 |
611 |
48.4 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
58 |
|
[NH2]M:5 |
1 |
1 |
117 |
cf |
M |
x,y,z |
1_555 |
4 |
2 |
637 |
48.4 |
0.4 |
0.752 |
0 |
0 |
0 |
0.000 |
59 |
|
[NH2]O:5 |
1 |
1 |
117 |
cf |
O |
x,y,z |
1_555 |
7 |
2 |
627 |
47.8 |
0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
60 |
|
[NH2]Q:5 |
1 |
1 |
117 |
cf |
Q |
x,y,z |
1_555 |
4 |
2 |
633 |
46.6 |
0.4 |
0.736 |
0 |
0 |
0 |
0.000 |
Average: |
48.5 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
29 |
61 |
|
[CA]B:2 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
16193 |
49.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.554 |
62 |
|
[CA]H:2 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
16247 |
48.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.554 |
63 |
|
[CA]K:2 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
10 |
5 |
16109 |
47.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.554 |
64 |
|
[CA]E:2 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
15893 |
46.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.554 |
Average: |
48.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.554 |
30 |
65 |
|
[NAG]K:470 |
5 |
1 |
356 |
◊ |
R |
x,y,z |
1_555 |
3 |
2 |
596 |
48.9 |
0.3 |
0.272 |
0 |
0 |
0 |
0.000 |
31 |
66 |
|
B |
11 |
5 |
16193 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
4 |
6647 |
48.9 |
-0.8 |
0.553 |
0 |
0 |
0 |
0.000 |
67 |
|
H |
8 |
3 |
16247 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
7 |
3 |
6596 |
41.0 |
-0.4 |
0.568 |
0 |
0 |
0 |
0.000 |
Average: |
44.9 |
-0.6 |
0.561 |
0 |
0 |
0 |
0.001 |
32 |
68 |
|
[CA]I:1 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
9 |
5 |
16256 |
45.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.330 |
69 |
|
[CA]C:1 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
16099 |
45.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.330 |
70 |
|
[CA]F:1 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
15929 |
44.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.330 |
71 |
|
[CA]L:1 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
12 |
5 |
15952 |
44.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.330 |
Average: |
45.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.330 |
33 |
72 |
|
[NH2]M:5 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16193 |
43.4 |
0.9 |
0.885 |
0 |
0 |
0 |
0.000 |
73 |
|
[NH2]N:5 |
1 |
1 |
117 |
◊ |
E |
x,y,z |
1_555 |
3 |
3 |
15893 |
40.0 |
1.4 |
0.973 |
0 |
0 |
0 |
0.000 |
74 |
|
[NH2]Q:5 |
1 |
1 |
117 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
16247 |
39.9 |
0.9 |
0.904 |
0 |
0 |
0 |
0.000 |
75 |
|
[NH2]R:5 |
1 |
1 |
117 |
◊ |
K |
x,y,z |
1_555 |
3 |
3 |
16109 |
36.9 |
1.5 |
0.976 |
0 |
0 |
0 |
0.000 |
Average: |
40.0 |
1.2 |
0.934 |
0 |
0 |
0 |
0.000 |
34 |
76 |
|
O |
4 |
1 |
627 |
◊ |
K |
x,y-1,z |
1_545 |
5 |
1 |
16109 |
42.6 |
0.7 |
0.799 |
0 |
0 |
0 |
0.000 |
35 |
77 |
|
E |
5 |
2 |
15893 |
◊ |
T |
x-1,y,z |
1_455 |
3 |
1 |
636 |
41.8 |
0.8 |
0.531 |
0 |
0 |
0 |
0.000 |
78 |
|
P |
5 |
1 |
628 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
16109 |
39.2 |
0.9 |
0.659 |
0 |
0 |
0 |
0.000 |
Average: |
40.5 |
0.9 |
0.595 |
0 |
0 |
0 |
0.000 |
36 |
79 |
|
[CA]K:3 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
8 |
4 |
16109 |
37.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.305 |
80 |
|
[CA]E:3 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
15893 |
36.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.305 |
Average: |
37.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.305 |
37 |
81 |
|
[NAG]B:470 |
5 |
1 |
359 |
◊ |
M |
x,y,z |
1_555 |
5 |
2 |
637 |
32.9 |
0.1 |
0.298 |
0 |
0 |
0 |
0.000 |
38 |
82 |
|
[CA]K:3 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
15952 |
32.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.080 |
83 |
|
[CA]E:3 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
15929 |
31.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
31.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.080 |
39 |
84 |
|
[NH2]O:5 |
1 |
1 |
117 |
◊ |
K |
x,y-1,z |
1_545 |
6 |
2 |
16109 |
31.7 |
0.7 |
0.882 |
0 |
0 |
0 |
0.000 |
85 |
|
E |
4 |
1 |
15893 |
◊ |
[NH2]S:5 |
x-1,y-1,z |
1_445 |
1 |
1 |
117 |
28.8 |
0.7 |
0.899 |
0 |
0 |
0 |
0.000 |
Average: |
30.2 |
0.7 |
0.891 |
0 |
0 |
0 |
0.000 |
40 |
86 |
|
C |
3 |
3 |
16099 |
x |
C |
x,y-1,z |
1_545 |
3 |
1 |
16099 |
30.0 |
0.4 |
0.770 |
0 |
0 |
0 |
0.000 |
87 |
|
I |
3 |
1 |
16256 |
x |
I |
x,y-1,z |
1_545 |
3 |
3 |
16256 |
29.3 |
0.4 |
0.765 |
0 |
0 |
0 |
0.000 |
Average: |
29.7 |
0.4 |
0.767 |
0 |
0 |
0 |
0.000 |
41 |
88 |
|
[NAG]H:470 |
5 |
1 |
347 |
◊ |
Q |
x,y,z |
1_555 |
5 |
2 |
633 |
29.6 |
0.3 |
0.285 |
0 |
0 |
0 |
0.000 |
42 |
89 |
|
[NH2]O:5 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16099 |
23.5 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
90 |
|
[NH2]T:5 |
1 |
1 |
117 |
◊ |
L |
x,y,z |
1_555 |
4 |
3 |
15952 |
21.6 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
91 |
|
[NH2]S:5 |
1 |
1 |
117 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
16256 |
17.1 |
0.2 |
0.749 |
0 |
0 |
0 |
0.000 |
Average: |
20.7 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
43 |
92 |
|
H |
3 |
1 |
16247 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
15893 |
23.1 |
0.6 |
0.823 |
1 |
0 |
0 |
0.000 |
93 |
|
B |
4 |
2 |
16193 |
◊ |
K |
x-1,y,z |
1_455 |
3 |
2 |
16109 |
23.0 |
0.5 |
0.796 |
0 |
0 |
0 |
0.000 |
Average: |
23.1 |
0.5 |
0.809 |
1 |
0 |
0 |
0.000 |
44 |
94 |
|
K |
3 |
1 |
16109 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
2 |
6647 |
19.2 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
95 |
|
E |
1 |
1 |
15893 |
◊ |
G |
-x,y,-z+1 |
2_556 |
1 |
1 |
6596 |
11.6 |
0.6 |
0.880 |
0 |
0 |
0 |
0.000 |
Average: |
15.4 |
0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
45 |
96 |
|
F |
3 |
3 |
15929 |
◊ |
I |
x-1,y-1,z |
1_445 |
1 |
1 |
16256 |
17.6 |
0.7 |
0.825 |
0 |
0 |
0 |
0.000 |
97 |
|
C |
1 |
1 |
16099 |
◊ |
L |
x,y-1,z |
1_545 |
3 |
3 |
15952 |
16.0 |
0.7 |
0.821 |
0 |
0 |
0 |
0.000 |
Average: |
16.8 |
0.7 |
0.823 |
0 |
0 |
0 |
0.000 |
46 |
98 |
|
I |
3 |
3 |
16256 |
◊ |
I |
-x,y,-z+1 |
2_556 |
3 |
3 |
16256 |
17.5 |
0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
47 |
99 |
|
L |
3 |
1 |
15952 |
x |
L |
x,y-1,z |
1_545 |
2 |
2 |
15952 |
15.1 |
0.5 |
0.831 |
0 |
0 |
0 |
0.000 |
100 |
|
F |
2 |
2 |
15929 |
x |
F |
x,y-1,z |
1_545 |
3 |
1 |
15929 |
14.2 |
0.5 |
0.818 |
0 |
0 |
0 |
0.000 |
Average: |
14.6 |
0.5 |
0.824 |
0 |
0 |
0 |
0.000 |
48 |
101 |
|
Q |
2 |
1 |
633 |
◊ |
H |
x,y-1,z |
1_545 |
2 |
1 |
16247 |
14.9 |
0.7 |
0.814 |
0 |
0 |
0 |
0.000 |
49 |
102 |
|
E |
1 |
1 |
15893 |
◊ |
[NH2]T:5 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
14.3 |
0.7 |
0.979 |
0 |
0 |
0 |
0.000 |
103 |
|
[NH2]P:5 |
1 |
1 |
117 |
◊ |
K |
x,y,z |
1_555 |
2 |
2 |
16109 |
10.8 |
0.5 |
0.943 |
0 |
0 |
0 |
0.000 |
Average: |
12.5 |
0.6 |
0.961 |
0 |
0 |
0 |
0.000 |
50 |
104 |
|
[NH2]N:5 |
1 |
1 |
117 |
◊ |
[NDG]E:470 |
x,y,z |
1_555 |
4 |
1 |
354 |
14.2 |
0.3 |
0.260 |
0 |
0 |
0 |
0.000 |
51 |
105 |
|
I |
3 |
1 |
16256 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
15929 |
13.9 |
-0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
106 |
|
C |
3 |
1 |
16099 |
◊ |
L |
x-1,y,z |
1_455 |
1 |
1 |
15952 |
7.0 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.000 |
Average: |
10.5 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
52 |
107 |
|
[NH2]P:5 |
1 |
1 |
117 |
◊ |
K |
x,y-1,z |
1_545 |
1 |
1 |
16109 |
12.5 |
-0.1 |
0.436 |
0 |
0 |
0 |
0.000 |
108 |
|
E |
1 |
1 |
15893 |
◊ |
[NH2]T:5 |
x-1,y-1,z |
1_445 |
1 |
1 |
117 |
5.4 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
53 |
109 |
|
F |
3 |
2 |
15929 |
◊ |
H |
-x,y,-z+1 |
2_556 |
2 |
2 |
16247 |
11.9 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
110 |
|
L |
2 |
2 |
15952 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
16193 |
11.7 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
Average: |
11.8 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
54 |
111 |
|
[NH2]Q:5 |
1 |
1 |
117 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
16247 |
9.3 |
0.5 |
0.970 |
0 |
0 |
0 |
0.000 |
55 |
112 |
|
[NH2]Q:5 |
1 |
1 |
117 |
◊ |
[NAG]H:470 |
x,y,z |
1_555 |
2 |
1 |
347 |
6.1 |
0.3 |
0.474 |
0 |
0 |
0 |
0.000 |
56 |
113 |
|
[NH2]M:5 |
1 |
1 |
117 |
◊ |
[NAG]B:470 |
x,y,z |
1_555 |
4 |
1 |
359 |
6.1 |
0.2 |
0.390 |
0 |
0 |
0 |
0.000 |
57 |
114 |
|
J |
2 |
1 |
7148 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
6647 |
5.4 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
58 |
115 |
|
P |
1 |
1 |
628 |
◊ |
K |
x,y-1,z |
1_545 |
1 |
1 |
16109 |
5.0 |
-0.2 |
0.444 |
0 |
0 |
0 |
0.000 |
116 |
|
E |
1 |
1 |
15893 |
◊ |
T |
x-1,y-1,z |
1_445 |
1 |
1 |
636 |
2.6 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
Average: |
3.8 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
59 |
117 |
|
C |
1 |
1 |
16099 |
◊ |
J |
-x,y-1,-z |
2_545 |
1 |
1 |
7148 |
3.1 |
0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
60 |
118 |
|
[NH2]R:5 |
1 |
1 |
117 |
◊ |
[NAG]K:470 |
x,y,z |
1_555 |
1 |
1 |
356 |
2.9 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
|