## |
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 |
53 |
18 |
9740 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
9854 |
494.9 |
-2.9 |
0.355 |
11 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
40 |
12 |
9740 |
◊ |
A |
-x,y,-z+1 |
2_556 |
37 |
10 |
9854 |
381.1 |
-0.0 |
0.611 |
9 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
26 |
8 |
9740 |
x |
B |
-x-1/2,y-1/2,-z |
4_445 |
34 |
12 |
9740 |
244.0 |
-0.8 |
0.544 |
2 |
3 |
0 |
0.000 |
4 |
|
A |
31 |
12 |
9854 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
6 |
9854 |
232.7 |
-1.5 |
0.450 |
1 |
3 |
0 |
0.000 |
Average: |
238.4 |
-1.1 |
0.497 |
2 |
3 |
0 |
0.000 |
4 |
5 |
|
[M3Q]B:403 |
15 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
34 |
11 |
9740 |
203.7 |
-1.8 |
0.550 |
3 |
0 |
0 |
0.035 |
6 |
|
[M3Q]A:403 |
15 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
38 |
10 |
9854 |
202.7 |
-2.2 |
0.477 |
4 |
0 |
0 |
0.035 |
Average: |
203.2 |
-2.0 |
0.513 |
4 |
0 |
0 |
0.035 |
5 |
7 |
|
[M3Q]B:404 |
15 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
37 |
12 |
9740 |
190.5 |
-1.0 |
0.688 |
4 |
0 |
0 |
0.030 |
8 |
|
[M3Q]A:404 |
15 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
36 |
11 |
9854 |
190.4 |
-1.6 |
0.541 |
4 |
0 |
0 |
0.030 |
Average: |
190.5 |
-1.3 |
0.615 |
4 |
0 |
0 |
0.030 |
6 |
9 |
|
B |
18 |
7 |
9740 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
22 |
6 |
9854 |
172.5 |
0.9 |
0.703 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
18 |
6 |
9740 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
13 |
5 |
9854 |
121.0 |
0.9 |
0.737 |
3 |
0 |
0 |
0.000 |
Average: |
146.8 |
0.9 |
0.720 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
16 |
5 |
9740 |
◊ |
A |
x-1,y,z-1 |
1_454 |
15 |
6 |
9854 |
129.1 |
-1.4 |
0.349 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
20 |
7 |
9740 |
◊ |
A |
-x,y,-z |
2_555 |
18 |
5 |
9854 |
120.4 |
0.9 |
0.739 |
1 |
1 |
0 |
0.000 |
9 |
13 |
|
A |
10 |
4 |
9854 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
6 |
2 |
9740 |
71.4 |
2.3 |
0.884 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[ACT]B:405 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9740 |
71.3 |
-0.4 |
0.672 |
1 |
0 |
0 |
0.008 |
11 |
15 |
|
[M3Q]A:404 |
10 |
1 |
356 |
f |
[M3Q]A:403 |
x,y,z |
1_555 |
10 |
1 |
355 |
67.8 |
-0.5 |
0.816 |
0 |
0 |
0 |
0.005 |
16 |
|
[M3Q]B:404 |
9 |
1 |
356 |
f |
[M3Q]B:403 |
x,y,z |
1_555 |
10 |
1 |
358 |
66.7 |
-0.5 |
0.776 |
0 |
0 |
0 |
0.005 |
Average: |
67.2 |
-0.5 |
0.796 |
0 |
0 |
0 |
0.005 |
12 |
17 |
|
[ACT]A:406 |
4 |
1 |
182 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
5 |
9854 |
67.1 |
-0.3 |
0.684 |
2 |
0 |
0 |
0.010 |
13 |
18 |
|
[ACT]A:405 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
9854 |
64.8 |
-0.7 |
0.549 |
2 |
0 |
0 |
0.015 |
19 |
|
[ACT]B:406 |
4 |
1 |
183 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
13 |
6 |
9740 |
64.1 |
-0.7 |
0.535 |
2 |
0 |
0 |
0.015 |
Average: |
64.5 |
-0.7 |
0.542 |
2 |
0 |
0 |
0.015 |
14 |
20 |
|
A |
8 |
2 |
9854 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
4 |
9740 |
62.7 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[ACT]B:406 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9740 |
61.7 |
-0.6 |
0.585 |
2 |
0 |
0 |
0.013 |
16 |
22 |
|
[ACT]A:405 |
4 |
1 |
182 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
5 |
9854 |
58.9 |
-0.6 |
0.602 |
1 |
0 |
0 |
0.009 |
17 |
23 |
|
[M3Q]B:404 |
4 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
9854 |
51.0 |
-0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[M3Q]A:404 |
3 |
1 |
356 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9740 |
49.0 |
-0.9 |
0.320 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[ACT]A:406 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
6 |
9854 |
46.3 |
-0.1 |
0.602 |
1 |
0 |
0 |
0.005 |
20 |
26 |
|
[ACT]B:405 |
4 |
1 |
182 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
9 |
6 |
9740 |
43.4 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.001 |
21 |
27 |
|
A |
4 |
2 |
9854 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
2 |
9854 |
32.6 |
-0.9 |
0.222 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9740 |
32.6 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.211 |
29 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9854 |
32.5 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.211 |
Average: |
32.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.211 |
23 |
30 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9740 |
30.4 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.177 |
31 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9854 |
30.2 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.177 |
Average: |
30.3 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.177 |
24 |
32 |
|
[M3Q]B:403 |
3 |
1 |
358 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.164 |
33 |
|
[M3Q]A:403 |
3 |
1 |
355 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.164 |
34 |
|
[M3Q]A:404 |
4 |
1 |
356 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.164 |
35 |
|
[M3Q]B:404 |
4 |
1 |
356 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
23.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.164 |
25 |
36 |
|
[ZN]B:407 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9740 |
23.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.109 |
37 |
|
[ZN]A:407 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
9854 |
23.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
23.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.109 |
26 |
38 |
|
[M3Q]B:403 |
3 |
1 |
358 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.076 |
39 |
|
[M3Q]A:403 |
3 |
1 |
355 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
23.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.076 |
27 |
40 |
|
[ZN]A:407 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9854 |
23.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.096 |
41 |
|
[ZN]B:407 |
1 |
1 |
98 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
5 |
3 |
9740 |
22.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
22.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.096 |
28 |
42 |
|
[ACT]A:406 |
3 |
1 |
182 |
f |
[ZN]A:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.142 |
43 |
|
[ACT]B:405 |
3 |
1 |
182 |
f |
[ZN]B:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.142 |
44 |
|
[ACT]B:406 |
3 |
1 |
183 |
f |
[ZN]B:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.142 |
45 |
|
[ACT]A:405 |
3 |
1 |
182 |
cf |
[ZN]A:407 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
20.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.142 |
29 |
46 |
|
[ACT]A:406 |
3 |
1 |
182 |
f |
[ACT]A:405 |
x,y,z |
1_555 |
3 |
1 |
182 |
19.5 |
0.3 |
0.875 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[ACT]B:406 |
3 |
1 |
183 |
f |
[ACT]B:405 |
x,y,z |
1_555 |
3 |
1 |
182 |
18.9 |
0.3 |
0.776 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
B |
2 |
1 |
9740 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
9740 |
15.9 |
-0.5 |
0.233 |
0 |
0 |
0 |
0.000 |
32 |
49 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.049 |
33 |
50 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.047 |
34 |
51 |
|
[M3Q]A:404 |
3 |
1 |
356 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
52 |
|
[M3Q]B:404 |
2 |
1 |
356 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
4.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
|