## |
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 |
|
A |
290 |
71 |
16441 |
◊ |
A |
-x,-y,z |
2_555 |
289 |
71 |
16441 |
2749.6 |
-25.6 |
0.289 |
19 |
4 |
0 |
1.000 |
2 |
|
B |
280 |
70 |
16377 |
◊ |
B |
-x,-y,z |
2_555 |
280 |
70 |
16377 |
2648.9 |
-22.7 |
0.445 |
19 |
10 |
0 |
1.000 |
Average: |
2699.3 |
-24.2 |
0.367 |
19 |
7 |
0 |
1.000 |
2 |
3 |
|
B |
281 |
67 |
16377 |
◊ |
A |
x,y,z |
1_555 |
287 |
66 |
16441 |
2483.2 |
-28.7 |
0.174 |
30 |
3 |
0 |
1.000 |
3 |
4 |
|
B |
42 |
14 |
16377 |
◊ |
B |
-x,y,-z |
3_555 |
42 |
14 |
16377 |
406.0 |
-3.9 |
0.441 |
0 |
0 |
0 |
0.062 |
4 |
5 |
|
B |
45 |
16 |
16377 |
◊ |
B |
-x-1,-y,z |
2_455 |
45 |
16 |
16377 |
384.2 |
2.6 |
0.928 |
1 |
4 |
0 |
0.000 |
5 |
6 |
|
B |
43 |
12 |
16377 |
◊ |
B |
x,-y,-z |
4_555 |
43 |
12 |
16377 |
380.3 |
-3.8 |
0.454 |
5 |
0 |
0 |
0.252 |
6 |
7 |
|
B |
26 |
8 |
16377 |
◊ |
A |
-x,-y,z |
2_555 |
26 |
8 |
16441 |
265.1 |
-0.7 |
0.669 |
2 |
4 |
0 |
0.030 |
7 |
8 |
|
A |
28 |
12 |
16441 |
◊ |
A |
-x,y,-z-1 |
3_554 |
29 |
12 |
16441 |
246.0 |
2.1 |
0.885 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
[MXE]A:405 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
16441 |
143.1 |
5.7 |
0.594 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[MXE]B:406 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
16377 |
141.0 |
5.4 |
0.591 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[MXE]A:406 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
16441 |
128.1 |
4.6 |
0.472 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[AZA]A:401 |
11 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
16441 |
128.1 |
2.1 |
0.438 |
3 |
0 |
0 |
0.000 |
13 |
|
[AZA]B:401 |
11 |
1 |
270 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
16377 |
125.9 |
2.2 |
0.406 |
3 |
0 |
0 |
0.000 |
Average: |
127.0 |
2.1 |
0.422 |
3 |
0 |
0 |
0.000 |
12 |
14 |
|
[MXE]A:407 |
5 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
16441 |
126.7 |
4.2 |
0.471 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
16 |
4 |
16377 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
15 |
3 |
16441 |
117.3 |
-1.1 |
0.511 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[MXE]B:405 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
16377 |
106.9 |
3.1 |
0.323 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
A |
10 |
3 |
16441 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
11 |
4 |
16377 |
104.9 |
-2.1 |
0.219 |
0 |
1 |
0 |
0.000 |
16 |
18 |
|
[MXE]A:404 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
16441 |
92.8 |
2.0 |
0.180 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
A |
9 |
4 |
16441 |
x |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
18 |
7 |
16441 |
83.3 |
1.4 |
0.828 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
A |
5 |
2 |
16441 |
◊ |
A |
x,-y,-z-1 |
4_554 |
5 |
2 |
16441 |
73.2 |
2.6 |
0.962 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[AZA]B:401 |
7 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16441 |
67.7 |
0.4 |
0.164 |
1 |
0 |
0 |
0.003 |
22 |
|
[AZA]A:401 |
7 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16377 |
66.7 |
0.4 |
0.161 |
1 |
0 |
0 |
0.003 |
Average: |
67.2 |
0.4 |
0.163 |
1 |
0 |
0 |
0.003 |
20 |
23 |
|
[MXE]A:404 |
4 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16377 |
66.8 |
1.6 |
0.214 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[MXE]B:405 |
4 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
16441 |
57.4 |
1.1 |
0.155 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[NA]B:404 |
1 |
1 |
125 |
f |
B |
x,-y,-z |
4_555 |
12 |
5 |
16377 |
53.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.631 |
26 |
|
[NA]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16441 |
47.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.631 |
Average: |
50.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.631 |
23 |
27 |
|
[OXY]A:402 |
2 |
1 |
120 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16441 |
43.2 |
0.7 |
0.834 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[OXY]B:402 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16377 |
43.0 |
0.7 |
0.829 |
2 |
0 |
0 |
0.017 |
25 |
29 |
|
[SO4]B:403 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
16377 |
42.3 |
-3.6 |
0.989 |
1 |
0 |
0 |
0.333 |
26 |
30 |
|
[NA]B:404 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16377 |
40.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.360 |
27 |
31 |
|
[SO4]B:403 |
3 |
1 |
185 |
◊ |
A |
-x,-y,z |
2_555 |
2 |
1 |
16441 |
39.3 |
-3.5 |
0.982 |
0 |
0 |
0 |
0.049 |
28 |
32 |
|
B |
6 |
3 |
16377 |
◊ |
A |
-x-1,-y,z |
2_455 |
3 |
2 |
16441 |
38.0 |
-0.6 |
0.390 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[NA]A:403 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z-1 |
3_554 |
5 |
3 |
16441 |
36.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[OXY]A:402 |
2 |
1 |
120 |
◊ |
[AZA]A:401 |
x,y,z |
1_555 |
10 |
1 |
270 |
31.6 |
1.0 |
0.019 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[OXY]B:402 |
2 |
1 |
120 |
◊ |
[AZA]B:401 |
x,y,z |
1_555 |
9 |
1 |
270 |
30.9 |
1.0 |
0.029 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[NA]A:403 |
1 |
1 |
125 |
◊ |
A |
-x,-y,z |
2_555 |
3 |
1 |
16441 |
26.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.181 |
37 |
|
[NA]B:404 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z |
3_555 |
1 |
1 |
16377 |
8.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
17.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.181 |
33 |
38 |
|
[OXY]B:402 |
2 |
1 |
120 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
16441 |
22.2 |
0.3 |
0.810 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[OXY]A:402 |
2 |
1 |
120 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16377 |
22.2 |
0.3 |
0.815 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
A |
1 |
1 |
16441 |
◊ |
[SO4]B:403 |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
1 |
1 |
185 |
2.2 |
-0.3 |
0.679 |
0 |
0 |
0 |
0.000 |
|