## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
80 |
12 |
8699 |
◊ |
A |
x,y,z |
1_555 |
72 |
21 |
4660 |
659.2 |
-2.6 |
0.946 |
13 |
0 |
0 |
0.000 |
2 |
|
B |
50 |
9 |
8699 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
28 |
6 |
4660 |
332.4 |
-3.1 |
0.759 |
3 |
0 |
0 |
0.000 |
3 |
|
A |
34 |
10 |
4660 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
8 |
8699 |
274.3 |
-7.9 |
0.476 |
7 |
0 |
0 |
0.040 |
4 |
|
B |
34 |
6 |
8699 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
7 |
8699 |
217.4 |
0.6 |
0.878 |
3 |
0 |
0 |
0.000 |
5 |
|
[NCO]B:180 |
6 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
8699 |
165.4 |
-2.7 |
0.470 |
6 |
0 |
0 |
0.020 |
6 |
|
[CCC]B:178 |
15 |
1 |
481 |
cf |
B |
x,y,z |
1_555 |
21 |
3 |
8699 |
156.8 |
2.3 |
0.757 |
3 |
0 |
0 |
0.000 |
7 |
|
[NCO]B:6 |
6 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
8699 |
153.0 |
-3.3 |
0.339 |
6 |
0 |
0 |
0.022 |
8 |
|
[NCO]B:7 |
6 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
8699 |
141.1 |
-1.5 |
0.381 |
3 |
0 |
0 |
0.010 |
9 |
|
[NCO]B:179 |
6 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
8699 |
139.0 |
-1.4 |
0.435 |
10 |
0 |
0 |
0.022 |
10 |
|
[NCO]B:3 |
6 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8699 |
128.4 |
-2.0 |
0.245 |
8 |
0 |
0 |
0.020 |
11 |
|
[K]B:2 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
8699 |
123.1 |
-72.6 |
0.000 |
0 |
0 |
0 |
0.266 |
12 |
|
[NCO]B:4 |
5 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
8699 |
108.4 |
-2.2 |
0.273 |
3 |
0 |
0 |
0.013 |
13 |
|
[K]B:1 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8699 |
98.7 |
-86.4 |
0.000 |
0 |
0 |
0 |
0.317 |
14 |
|
[CCC]B:178 |
15 |
1 |
481 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
13 |
1 |
8699 |
97.1 |
1.5 |
0.665 |
0 |
0 |
0 |
0.000 |
15 |
|
[NCO]B:8 |
5 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8699 |
92.4 |
-0.8 |
0.148 |
3 |
0 |
0 |
0.008 |
16 |
|
[NCO]B:5 |
4 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8699 |
87.5 |
-0.1 |
0.585 |
3 |
0 |
0 |
0.005 |
17 |
|
B |
13 |
1 |
8699 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
13 |
1 |
8699 |
85.9 |
1.8 |
0.915 |
0 |
0 |
0 |
0.000 |
18 |
|
B |
9 |
3 |
8699 |
x |
B |
x,y,z-1 |
1_554 |
10 |
3 |
8699 |
77.8 |
-1.8 |
0.593 |
2 |
0 |
0 |
0.000 |
19 |
|
[NCO]B:8 |
4 |
1 |
266 |
◊ |
[NCO]B:8 |
-x+1,y,-z+2 |
2_657 |
4 |
1 |
266 |
55.2 |
0.7 |
0.063 |
0 |
0 |
0 |
0.000 |
20 |
|
[CL]B:38 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8699 |
43.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.018 |
21 |
|
[K]B:2 |
1 |
1 |
216 |
f |
[K]B:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
41.7 |
-41.7 |
0.000 |
0 |
0 |
0 |
0.153 |
22 |
|
[NCO]B:180 |
3 |
1 |
267 |
f |
[K]B:2 |
x,y,z |
1_555 |
1 |
1 |
216 |
38.2 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.060 |
23 |
|
[NCO]B:7 |
3 |
1 |
268 |
f |
[CL]B:38 |
x,y,z |
1_555 |
1 |
1 |
125 |
37.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
|
[NCO]B:179 |
3 |
1 |
265 |
f |
[CL]B:38 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
25 |
|
[NCO]B:5 |
3 |
1 |
267 |
f |
[NCO]B:3 |
x,y,z |
1_555 |
1 |
1 |
265 |
28.8 |
0.5 |
0.250 |
0 |
0 |
0 |
0.000 |
26 |
|
[NCO]B:8 |
2 |
1 |
266 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
4 |
1 |
8699 |
23.5 |
-0.4 |
0.357 |
1 |
0 |
0 |
0.000 |
27 |
|
[NCO]B:8 |
3 |
1 |
266 |
f |
[CCC]B:178 |
x,y,z |
1_555 |
1 |
1 |
481 |
19.8 |
0.0 |
0.209 |
0 |
0 |
0 |
0.000 |
28 |
|
[NCO]B:7 |
3 |
1 |
268 |
f |
[NCO]B:179 |
x,y,z |
1_555 |
2 |
1 |
265 |
17.8 |
0.2 |
0.354 |
0 |
0 |
0 |
0.000 |
29 |
|
[NCO]B:8 |
2 |
1 |
266 |
◊ |
[CCC]B:178 |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
481 |
16.7 |
0.2 |
0.295 |
0 |
0 |
0 |
0.000 |
30 |
|
[K]B:2 |
1 |
1 |
216 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
4660 |
4.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[NCO]B:180 |
1 |
1 |
267 |
f |
[K]B:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
3.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.005 |
|