## |
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 |
75 |
22 |
14355 |
◊ |
A |
x,y,z |
1_555 |
84 |
22 |
14492 |
736.8 |
-2.6 |
0.630 |
15 |
10 |
0 |
0.000 |
2 |
|
D |
80 |
21 |
14269 |
◊ |
C |
x,y,z |
1_555 |
75 |
22 |
14470 |
724.6 |
-1.8 |
0.707 |
14 |
10 |
0 |
0.000 |
Average: |
730.7 |
-2.2 |
0.668 |
15 |
10 |
0 |
0.000 |
2 |
3 |
|
D |
76 |
19 |
14269 |
◊ |
B |
x,y,z |
1_555 |
70 |
22 |
14355 |
656.1 |
1.2 |
0.757 |
7 |
7 |
0 |
0.000 |
4 |
|
C |
71 |
21 |
14470 |
◊ |
A |
x,y,z |
1_555 |
73 |
18 |
14492 |
650.5 |
1.5 |
0.758 |
7 |
7 |
0 |
0.000 |
Average: |
653.3 |
1.4 |
0.758 |
7 |
7 |
0 |
0.000 |
3 |
5 |
|
A |
25 |
9 |
14492 |
◊ |
C |
x,y-1,z |
1_545 |
28 |
10 |
14470 |
233.0 |
0.9 |
0.788 |
3 |
3 |
0 |
0.000 |
6 |
|
B |
24 |
10 |
14355 |
◊ |
D |
x,y-1,z |
1_545 |
25 |
9 |
14269 |
213.6 |
1.1 |
0.826 |
3 |
3 |
0 |
0.000 |
Average: |
223.3 |
1.0 |
0.807 |
3 |
3 |
0 |
0.000 |
4 |
7 |
|
A |
25 |
6 |
14492 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
14470 |
232.1 |
-1.1 |
0.510 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
19 |
4 |
14355 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
21 |
6 |
14269 |
198.6 |
-1.0 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
215.4 |
-1.1 |
0.512 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
21 |
4 |
14470 |
◊ |
B |
x,y,z |
1_555 |
23 |
5 |
14355 |
167.8 |
3.0 |
0.933 |
1 |
2 |
0 |
0.000 |
6 |
10 |
|
A |
18 |
8 |
14492 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
26 |
8 |
14269 |
163.6 |
1.1 |
0.793 |
1 |
1 |
0 |
0.000 |
7 |
11 |
|
[BTB]A:704 |
9 |
1 |
334 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
14470 |
144.7 |
4.2 |
0.374 |
2 |
0 |
0 |
0.000 |
12 |
|
[BTB]D:704 |
9 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
14355 |
143.8 |
4.1 |
0.365 |
2 |
0 |
0 |
0.000 |
Average: |
144.2 |
4.1 |
0.369 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
[EDO]A:707 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14492 |
113.3 |
3.4 |
0.422 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[SO4]B:704 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14355 |
103.2 |
-18.6 |
0.615 |
3 |
0 |
0 |
0.029 |
10 |
15 |
|
[SO4]D:706 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14269 |
103.1 |
-17.2 |
0.683 |
3 |
0 |
0 |
0.018 |
11 |
16 |
|
[SO4]C:704 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
14470 |
101.0 |
-17.6 |
0.674 |
5 |
0 |
0 |
0.029 |
12 |
17 |
|
[SO4]A:706 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14492 |
100.2 |
-18.0 |
0.589 |
3 |
0 |
0 |
0.019 |
13 |
18 |
|
C |
10 |
5 |
14470 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
14470 |
89.7 |
-0.2 |
0.536 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
[BTB]D:704 |
6 |
1 |
336 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
14269 |
83.1 |
1.4 |
0.195 |
4 |
0 |
0 |
0.000 |
20 |
|
[BTB]A:704 |
6 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14492 |
82.4 |
1.4 |
0.211 |
3 |
0 |
0 |
0.000 |
Average: |
82.8 |
1.4 |
0.203 |
4 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
12 |
6 |
14355 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
11 |
6 |
14269 |
80.6 |
-1.0 |
0.421 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
2 |
2 |
14492 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
14470 |
32.8 |
-1.0 |
0.120 |
0 |
0 |
0 |
0.000 |
Average: |
56.7 |
-1.0 |
0.270 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
14355 |
62.1 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.011 |
24 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
14269 |
60.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.011 |
25 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
14470 |
60.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.011 |
26 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14492 |
60.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
61.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.011 |
17 |
27 |
|
B |
7 |
3 |
14355 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
14470 |
55.8 |
-0.2 |
0.543 |
1 |
0 |
0 |
0.000 |
18 |
28 |
|
[ZN]D:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14269 |
47.0 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.050 |
29 |
|
[ZN]C:701 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
14470 |
46.4 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.050 |
30 |
|
[ZN]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14492 |
46.4 |
-34.3 |
0.000 |
0 |
0 |
0 |
0.050 |
31 |
|
[ZN]B:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14355 |
46.3 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
46.5 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.050 |
19 |
32 |
|
[BTB]A:704 |
4 |
1 |
334 |
f |
[ZN]A:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
|
[BTB]D:704 |
4 |
1 |
336 |
f |
[ZN]D:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
33.9 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.022 |
20 |
34 |
|
[ZN]A:705 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
14492 |
28.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.012 |
35 |
|
[ZN]D:705 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
14269 |
27.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
28.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.012 |
21 |
36 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.007 |
22 |
37 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[ZN]C:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
38 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[ZN]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.010 |
24 |
39 |
|
[MG]D:702 |
1 |
1 |
98 |
f |
[ZN]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.007 |
25 |
40 |
|
B |
3 |
1 |
14355 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
14492 |
13.1 |
-0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[ZN]D:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14355 |
10.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ZN]A:705 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14470 |
10.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
10.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|