| ## |
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 |
487 |
123 |
29512 |
◊ |
A |
x,y,z |
1_555 |
491 |
124 |
29871 |
4691.7 |
-52.0 |
0.019 |
64 |
16 |
0 |
0.393 |
| 2 |
2 |
|
B |
195 |
60 |
29512 |
◊ |
B |
-x,-y+1,z |
2_565 |
194 |
60 |
29512 |
1897.6 |
-26.0 |
0.029 |
6 |
2 |
0 |
0.223 |
| 3 |
3 |
|
A |
137 |
47 |
29871 |
◊ |
A |
-x,y,-z+1 |
3_556 |
137 |
47 |
29871 |
1302.8 |
-11.2 |
0.284 |
8 |
6 |
0 |
0.112 |
| 4 |
4 |
|
B |
87 |
21 |
29512 |
◊ |
A |
-x,y,-z+1 |
3_556 |
70 |
19 |
29871 |
722.3 |
2.6 |
0.868 |
11 |
1 |
0 |
0.011 |
| 5 |
5 |
|
B |
72 |
19 |
29512 |
◊ |
A |
-x,-y+1,z |
2_565 |
58 |
18 |
29871 |
513.5 |
-2.9 |
0.495 |
5 |
0 |
0 |
0.022 |
| 6 |
6 |
|
[DND]B:901 |
38 |
1 |
865 |
f |
B |
x,y,z |
1_555 |
62 |
23 |
29512 |
461.2 |
-2.0 |
0.612 |
5 |
0 |
0 |
0.064 |
7 |
|
[DND]A:901 |
39 |
1 |
869 |
f |
A |
x,y,z |
1_555 |
60 |
22 |
29871 |
457.8 |
-1.9 |
0.605 |
5 |
0 |
0 |
0.064 |
| Average: |
459.5 |
-2.0 |
0.609 |
5 |
0 |
0 |
0.064 |
| 7 |
8 |
|
A |
45 |
12 |
29871 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
46 |
12 |
29512 |
415.9 |
-5.1 |
0.255 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[AMP]B:902 |
23 |
1 |
462 |
f |
B |
x,y,z |
1_555 |
51 |
20 |
29512 |
300.8 |
-1.5 |
0.563 |
1 |
0 |
0 |
0.030 |
10 |
|
[AMP]A:902 |
23 |
1 |
462 |
f |
A |
x,y,z |
1_555 |
49 |
19 |
29871 |
293.2 |
-1.0 |
0.579 |
2 |
0 |
0 |
0.030 |
| Average: |
297.0 |
-1.3 |
0.571 |
2 |
0 |
0 |
0.030 |
| 9 |
11 |
|
[DND]B:901 |
23 |
1 |
865 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
29871 |
227.4 |
-3.2 |
0.437 |
2 |
0 |
0 |
0.038 |
12 |
|
[DND]A:901 |
23 |
1 |
869 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
29512 |
224.4 |
-3.1 |
0.452 |
2 |
0 |
0 |
0.038 |
| Average: |
225.9 |
-3.1 |
0.445 |
2 |
0 |
0 |
0.038 |
| 10 |
13 |
|
[POP]B:903 |
9 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
29512 |
134.6 |
-1.1 |
0.494 |
4 |
0 |
0 |
0.044 |
14 |
|
[POP]A:903 |
9 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
29871 |
127.9 |
-0.7 |
0.573 |
5 |
0 |
0 |
0.044 |
| Average: |
131.3 |
-0.9 |
0.533 |
5 |
0 |
0 |
0.044 |
| 11 |
15 |
|
B |
12 |
6 |
29512 |
x |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
14 |
4 |
29512 |
102.2 |
-0.3 |
0.545 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
5 |
3 |
29871 |
x |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
7 |
4 |
29871 |
50.2 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
| Average: |
76.2 |
0.1 |
0.649 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[CL]B:907 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
29512 |
60.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.251 |
18 |
|
[CL]A:908 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
29871 |
55.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.251 |
19 |
|
[CL]B:908 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
29512 |
54.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.251 |
20 |
|
[CL]A:909 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
29871 |
53.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.251 |
| Average: |
56.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.251 |
| 13 |
21 |
|
[POP]A:903 |
6 |
1 |
261 |
f |
[AMP]A:902 |
x,y,z |
1_555 |
8 |
1 |
462 |
57.3 |
-0.8 |
0.495 |
0 |
0 |
0 |
0.011 |
22 |
|
[POP]B:903 |
6 |
1 |
261 |
f |
[AMP]B:902 |
x,y,z |
1_555 |
9 |
1 |
462 |
56.7 |
0.3 |
0.618 |
0 |
0 |
0 |
0.011 |
| Average: |
57.0 |
-0.2 |
0.556 |
0 |
0 |
0 |
0.011 |
| 14 |
23 |
|
[AMP]A:902 |
6 |
1 |
462 |
f |
[DND]A:901 |
x,y,z |
1_555 |
4 |
1 |
869 |
53.5 |
-2.0 |
0.379 |
0 |
0 |
0 |
0.032 |
24 |
|
[AMP]B:902 |
6 |
1 |
462 |
f |
[DND]B:901 |
x,y,z |
1_555 |
4 |
1 |
865 |
52.2 |
-2.1 |
0.365 |
0 |
0 |
0 |
0.032 |
| Average: |
52.8 |
-2.0 |
0.372 |
0 |
0 |
0 |
0.032 |
| 15 |
25 |
|
[CL]A:906 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
29871 |
52.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.090 |
| 16 |
26 |
|
[CL]A:906 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z+1 |
3_556 |
9 |
3 |
29512 |
48.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 17 |
27 |
|
[CL]A:907 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
29512 |
41.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.073 |
28 |
|
[CL]B:905 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
29871 |
34.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
37.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.073 |
| 18 |
29 |
|
[CL]B:906 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
29512 |
40.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[CL]B:906 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
4 |
2 |
29871 |
38.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
39.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[CL]A:905 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
29871 |
38.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.070 |
| 20 |
32 |
|
[CL]B:905 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
29512 |
37.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.034 |
33 |
|
[CL]A:907 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29871 |
34.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
36.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.034 |
| 21 |
34 |
|
[MG]B:904 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
29512 |
32.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.070 |
35 |
|
[MG]A:904 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29871 |
30.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
31.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.070 |
| 22 |
36 |
|
[MG]B:904 |
1 |
1 |
98 |
f |
[POP]B:903 |
x,y,z |
1_555 |
5 |
1 |
261 |
25.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.050 |
37 |
|
[MG]A:904 |
1 |
1 |
98 |
f |
[POP]A:903 |
x,y,z |
1_555 |
5 |
1 |
261 |
24.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
25.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| 23 |
38 |
|
[CL]B:908 |
1 |
1 |
125 |
f |
[CL]B:907 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
| 24 |
39 |
|
[CL]A:909 |
1 |
1 |
125 |
f |
[POP]A:903 |
x,y,z |
1_555 |
4 |
1 |
261 |
23.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.027 |
40 |
|
[CL]B:908 |
1 |
1 |
125 |
f |
[POP]B:903 |
x,y,z |
1_555 |
4 |
1 |
261 |
20.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
21.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| 25 |
41 |
|
[CL]A:909 |
1 |
1 |
125 |
f |
[CL]A:908 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 26 |
42 |
|
[CL]A:909 |
1 |
1 |
125 |
f |
[MG]A:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| 27 |
43 |
|
[CL]B:908 |
1 |
1 |
125 |
f |
[MG]B:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.051 |
| 28 |
44 |
|
[CL]A:908 |
1 |
1 |
125 |
f |
[MG]A:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.025 |
| 29 |
45 |
|
B |
1 |
1 |
29512 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
2 |
1 |
29871 |
6.7 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
[CL]B:905 |
1 |
1 |
125 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
2 |
1 |
29512 |
6.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
1 |
1 |
29871 |
◊ |
[CL]A:907 |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
1 |
1 |
125 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
4.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
48 |
|
[CL]B:907 |
1 |
1 |
125 |
f |
[MG]B:904 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
| 32 |
49 |
|
[CL]A:908 |
1 |
1 |
125 |
f |
[POP]A:903 |
x,y,z |
1_555 |
3 |
1 |
261 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 33 |
50 |
|
[POP]A:903 |
1 |
1 |
261 |
f |
[DND]A:901 |
x,y,z |
1_555 |
1 |
1 |
869 |
0.7 |
0.0 |
0.362 |
0 |
0 |
0 |
0.000 |
51 |
|
[POP]B:903 |
1 |
1 |
261 |
f |
[DND]B:901 |
x,y,z |
1_555 |
1 |
1 |
865 |
0.7 |
0.0 |
0.362 |
0 |
0 |
0 |
0.000 |
| Average: |
0.7 |
0.0 |
0.362 |
0 |
0 |
0 |
0.000 |
|