## |
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 |
182 |
50 |
12916 |
◊ |
A |
x,y,z |
1_555 |
190 |
51 |
12448 |
1855.4 |
-27.9 |
0.075 |
23 |
10 |
0 |
0.544 |
2 |
|
C |
195 |
52 |
12916 |
◊ |
B |
x,y,z |
1_555 |
178 |
51 |
12534 |
1824.0 |
-27.9 |
0.088 |
17 |
8 |
0 |
0.544 |
3 |
|
B |
190 |
50 |
12534 |
◊ |
A |
x,y,z |
1_555 |
169 |
49 |
12448 |
1759.9 |
-28.7 |
0.045 |
19 |
10 |
0 |
0.544 |
Average: |
1813.1 |
-28.2 |
0.069 |
20 |
9 |
0 |
0.544 |
2 |
4 |
|
A |
55 |
16 |
12448 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
55 |
16 |
12448 |
459.5 |
3.1 |
0.942 |
14 |
8 |
0 |
0.019 |
3 |
5 |
|
C |
25 |
7 |
12916 |
◊ |
A |
x,y,z-1 |
1_554 |
37 |
11 |
12448 |
285.0 |
0.1 |
0.768 |
7 |
1 |
0 |
0.000 |
6 |
|
B |
17 |
5 |
12534 |
◊ |
C |
x,y,z-1 |
1_554 |
22 |
7 |
12916 |
177.7 |
0.8 |
0.811 |
4 |
1 |
0 |
0.000 |
7 |
|
A |
12 |
4 |
12448 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
7 |
12534 |
148.1 |
1.1 |
0.831 |
4 |
1 |
0 |
0.000 |
Average: |
203.6 |
0.7 |
0.803 |
5 |
1 |
0 |
0.000 |
4 |
8 |
|
A |
33 |
10 |
12448 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
30 |
8 |
12534 |
265.2 |
-0.9 |
0.690 |
1 |
3 |
0 |
0.015 |
5 |
9 |
|
C |
21 |
7 |
12916 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
27 |
9 |
12534 |
216.2 |
1.4 |
0.863 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
C |
24 |
7 |
12916 |
◊ |
B |
x,y,z-1 |
1_554 |
19 |
9 |
12534 |
181.3 |
-1.5 |
0.569 |
1 |
0 |
0 |
0.000 |
11 |
|
A |
10 |
4 |
12448 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
3 |
12916 |
87.7 |
-0.1 |
0.706 |
3 |
0 |
0 |
0.000 |
12 |
|
B |
8 |
3 |
12534 |
◊ |
A |
x,y,z-1 |
1_554 |
6 |
2 |
12448 |
51.1 |
-0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
Average: |
106.7 |
-0.6 |
0.644 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
B |
13 |
5 |
12534 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
5 |
12534 |
149.1 |
-0.9 |
0.575 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
C |
18 |
7 |
12916 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
9 |
12448 |
147.3 |
0.5 |
0.785 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
C |
13 |
4 |
12916 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
5 |
12448 |
130.7 |
-0.3 |
0.664 |
1 |
2 |
0 |
0.001 |
10 |
16 |
|
[GOL]B:1327 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12534 |
100.8 |
-1.0 |
0.519 |
1 |
0 |
0 |
0.024 |
17 |
|
[GOL]A:1327 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12448 |
100.7 |
-1.1 |
0.504 |
1 |
0 |
0 |
0.024 |
Average: |
100.8 |
-1.0 |
0.511 |
1 |
0 |
0 |
0.024 |
11 |
18 |
|
[GOL]B:1328 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12534 |
95.4 |
-0.4 |
0.535 |
3 |
0 |
0 |
0.014 |
12 |
19 |
|
[SO4]B:1330 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12534 |
90.7 |
-13.6 |
0.722 |
3 |
0 |
0 |
0.122 |
13 |
20 |
|
B |
12 |
4 |
12534 |
◊ |
[GOL]B:1328 |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
1 |
221 |
80.4 |
0.4 |
0.676 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
A |
8 |
3 |
12448 |
◊ |
[SO4]B:1330 |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
185 |
54.0 |
-7.5 |
0.759 |
1 |
0 |
0 |
0.065 |
15 |
22 |
|
[CL]C:1328 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12916 |
44.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[CL]C:1328 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
12448 |
31.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[CL]C:1328 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12534 |
30.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[ZN]A:1332 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
12448 |
43.5 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.416 |
17 |
26 |
|
[ZN]B:1329 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12534 |
43.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[ZN]A:1331 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12448 |
41.7 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[ZN]C:1329 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12916 |
41.1 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
42.0 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
[ZN]A:1330 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12448 |
41.5 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.180 |
19 |
30 |
|
[CL]C:1327 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12916 |
38.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.058 |
31 |
|
[CL]C:1327 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12534 |
38.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
32 |
|
[CL]C:1327 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12448 |
36.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
38.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
20 |
33 |
|
[ZN]A:1332 |
1 |
1 |
98 |
f |
[ZN]A:1332 |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
98 |
37.5 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.131 |
21 |
34 |
|
[ZN]A:1330 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
3 |
12534 |
36.8 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.143 |
22 |
35 |
|
[ZN]A:1329 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
12448 |
35.6 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.133 |
23 |
36 |
|
B |
4 |
2 |
12534 |
cf |
[ZN]C:1329 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
33.1 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.219 |
37 |
|
C |
4 |
2 |
12916 |
f |
[ZN]A:1331 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
32.8 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.219 |
38 |
|
A |
3 |
1 |
12448 |
f |
[ZN]B:1329 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
30.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
32.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.219 |
24 |
39 |
|
[ZN]A:1328 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12916 |
32.7 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.160 |
40 |
|
[ZN]A:1328 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12448 |
32.7 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.160 |
41 |
|
[ZN]A:1328 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12534 |
32.1 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
32.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.160 |
25 |
42 |
|
B |
4 |
3 |
12534 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
5 |
2 |
12448 |
30.9 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
C |
3 |
1 |
12916 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
12534 |
30.9 |
-0.8 |
0.220 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
C |
3 |
1 |
12916 |
◊ |
[ZN]A:1329 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
28.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.015 |
28 |
45 |
|
[ZN]A:1329 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
12534 |
27.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.102 |
29 |
46 |
|
B |
3 |
1 |
12534 |
◊ |
[GOL]B:1327 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
218 |
25.8 |
-0.1 |
0.518 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[GOL]B:1328 |
2 |
1 |
221 |
f |
[GOL]B:1327 |
x,y,z |
1_555 |
3 |
1 |
218 |
12.5 |
-0.4 |
0.407 |
0 |
0 |
0 |
0.003 |
31 |
48 |
|
C |
1 |
1 |
12916 |
x |
C |
x,y,z-1 |
1_554 |
1 |
1 |
12916 |
3.0 |
0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
32 |
49 |
|
[CL]C:1328 |
1 |
1 |
125 |
f |
C |
x,y,z-1 |
1_554 |
1 |
1 |
12916 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|