## |
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 |
257 |
71 |
18068 |
◊ |
A |
x,y,z |
1_555 |
241 |
70 |
18034 |
2320.3 |
-34.6 |
0.311 |
20 |
6 |
0 |
0.908 |
2 |
|
B |
238 |
67 |
18068 |
◊ |
A |
-x+1,-y-1,z |
2_645 |
251 |
70 |
18034 |
2292.0 |
-34.0 |
0.313 |
18 |
5 |
0 |
0.908 |
Average: |
2306.1 |
-34.3 |
0.312 |
19 |
6 |
0 |
0.908 |
2 |
3 |
|
[SPM]B:1302 |
14 |
1 |
473 |
◊ |
[SPM]B:1302 |
-x+1,-y-1,z |
2_645 |
14 |
1 |
473 |
149.6 |
3.9 |
0.072 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
18 |
6 |
18034 |
◊ |
B |
x,y,z-1 |
1_554 |
16 |
5 |
18068 |
109.8 |
-1.9 |
0.553 |
1 |
1 |
0 |
0.000 |
5 |
|
B |
16 |
5 |
18068 |
◊ |
A |
-x+1,-y-1,z-1 |
2_644 |
13 |
5 |
18034 |
92.8 |
-1.7 |
0.514 |
1 |
1 |
0 |
0.000 |
Average: |
101.3 |
-1.8 |
0.533 |
1 |
1 |
0 |
0.000 |
4 |
6 |
|
[SPM]B:1302 |
12 |
1 |
473 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
18068 |
83.4 |
0.6 |
0.186 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
[SPM]B:1302 |
12 |
1 |
473 |
f |
A |
-x+1,-y-1,z |
2_645 |
17 |
5 |
18034 |
81.1 |
0.0 |
0.125 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
[SPM]B:1302 |
11 |
1 |
473 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
18034 |
80.1 |
0.6 |
0.221 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[SPM]B:1302 |
11 |
1 |
473 |
◊ |
B |
-x+1,-y-1,z |
2_645 |
15 |
4 |
18068 |
73.1 |
0.1 |
0.136 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[K]A:1303 |
1 |
1 |
216 |
f |
[K]A:1302 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.3 |
-54.3 |
0.000 |
0 |
0 |
0 |
0.056 |
9 |
11 |
|
[CL]A:1306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
18034 |
51.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.101 |
10 |
12 |
|
[K]A:1303 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
9 |
3 |
18068 |
51.1 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.135 |
13 |
|
[K]A:1303 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
8 |
3 |
18034 |
50.8 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
51.0 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.135 |
11 |
14 |
|
[K]A:1305 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
18034 |
51.1 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.127 |
15 |
|
[K]A:1305 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
6 |
4 |
18068 |
50.9 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
51.0 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.127 |
12 |
16 |
|
A |
7 |
3 |
18034 |
x |
A |
x,y,z-1 |
1_554 |
3 |
2 |
18034 |
47.5 |
0.0 |
0.731 |
1 |
0 |
0 |
0.000 |
17 |
|
B |
7 |
3 |
18068 |
x |
B |
x,y,z-1 |
1_554 |
4 |
2 |
18068 |
47.3 |
0.1 |
0.735 |
1 |
0 |
0 |
0.000 |
Average: |
47.4 |
0.0 |
0.733 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[CL]A:1306 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
18068 |
46.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.057 |
14 |
19 |
|
[K]A:1304 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
9 |
4 |
18034 |
45.6 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.117 |
20 |
|
[K]A:1304 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
9 |
4 |
18068 |
45.5 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
45.6 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.117 |
15 |
21 |
|
[K]A:1304 |
1 |
1 |
216 |
f |
[K]A:1302 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.3 |
-45.3 |
0.000 |
0 |
0 |
0 |
0.047 |
16 |
22 |
|
[K]A:1302 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
10 |
3 |
18034 |
45.3 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.114 |
23 |
|
[K]A:1302 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
9 |
3 |
18068 |
44.5 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
44.9 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.114 |
17 |
24 |
|
[K]A:1305 |
1 |
1 |
216 |
f |
[K]A:1304 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.1 |
-45.1 |
0.000 |
0 |
0 |
0 |
0.047 |
18 |
25 |
|
[K]A:1307 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
7 |
4 |
18068 |
39.0 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.090 |
26 |
|
[K]A:1307 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
18034 |
36.2 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
37.6 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.090 |
19 |
27 |
|
A |
7 |
5 |
18034 |
◊ |
A |
-x+1,-y-1,z |
2_645 |
7 |
5 |
18034 |
35.1 |
0.1 |
0.799 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
6 |
5 |
18068 |
◊ |
B |
-x+1,-y-1,z |
2_645 |
6 |
5 |
18068 |
32.3 |
0.1 |
0.812 |
0 |
0 |
0 |
0.000 |
Average: |
33.7 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[K]A:1307 |
1 |
1 |
216 |
f |
[K]A:1305 |
x,y,z |
1_555 |
1 |
1 |
216 |
32.3 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
30 |
|
[K]A:1304 |
1 |
1 |
216 |
f |
[K]A:1303 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.3 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.019 |
22 |
31 |
|
[K]A:1305 |
1 |
1 |
216 |
f |
[K]A:1302 |
x,y,z |
1_555 |
1 |
1 |
216 |
16.4 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.017 |
|