## |
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 |
|
D |
140 |
36 |
7745 |
◊ |
A |
x,y,z |
1_555 |
130 |
35 |
7780 |
1247.4 |
-14.9 |
0.108 |
11 |
2 |
0 |
0.222 |
2 |
|
C |
125 |
34 |
7393 |
◊ |
B |
x,y,z |
1_555 |
126 |
34 |
7617 |
1173.6 |
-15.8 |
0.077 |
12 |
1 |
0 |
0.222 |
Average: |
1210.5 |
-15.3 |
0.092 |
12 |
2 |
0 |
0.222 |
2 |
3 |
|
B |
93 |
29 |
7617 |
◊ |
A |
x,y,z |
1_555 |
92 |
28 |
7780 |
800.2 |
-7.7 |
0.235 |
11 |
0 |
0 |
0.094 |
4 |
|
D |
90 |
28 |
7745 |
◊ |
C |
x,y,z |
1_555 |
90 |
29 |
7393 |
773.7 |
-7.5 |
0.266 |
11 |
0 |
0 |
0.094 |
Average: |
786.9 |
-7.6 |
0.250 |
11 |
0 |
0 |
0.094 |
3 |
5 |
|
A |
70 |
23 |
7780 |
◊ |
A |
-x+1,-y,z |
2_655 |
70 |
23 |
7780 |
678.0 |
0.7 |
0.780 |
19 |
8 |
0 |
0.037 |
4 |
6 |
|
C |
59 |
15 |
7393 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
67 |
17 |
7617 |
570.1 |
-8.1 |
0.183 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
40 |
8 |
7745 |
◊ |
A |
x,-y,-z+1 |
4_556 |
40 |
8 |
7780 |
416.3 |
-0.8 |
0.622 |
0 |
17 |
0 |
0.000 |
6 |
8 |
|
C |
49 |
14 |
7393 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
7780 |
412.8 |
-10.7 |
0.006 |
2 |
0 |
0 |
0.086 |
9 |
|
D |
48 |
14 |
7745 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
7617 |
405.4 |
-10.5 |
0.008 |
2 |
0 |
0 |
0.086 |
Average: |
409.1 |
-10.6 |
0.007 |
2 |
0 |
0 |
0.086 |
7 |
10 |
|
D |
25 |
5 |
7745 |
◊ |
A |
-x,-y,z |
2_555 |
28 |
9 |
7780 |
232.9 |
-0.8 |
0.571 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
24 |
9 |
7617 |
◊ |
B |
-x+1,-y,z |
2_655 |
24 |
9 |
7617 |
189.4 |
0.4 |
0.699 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[TYU]D:1004 |
16 |
1 |
383 |
f |
D |
x,y,z |
1_555 |
35 |
15 |
7745 |
173.5 |
-1.0 |
0.335 |
4 |
0 |
0 |
0.058 |
13 |
|
[TYU]B:1002 |
16 |
1 |
382 |
f |
B |
x,y,z |
1_555 |
32 |
15 |
7617 |
171.6 |
-1.0 |
0.324 |
4 |
0 |
0 |
0.058 |
14 |
|
[TYU]C:1003 |
16 |
1 |
381 |
f |
C |
x,y,z |
1_555 |
33 |
15 |
7393 |
171.1 |
-1.0 |
0.311 |
4 |
0 |
0 |
0.058 |
15 |
|
[TYU]A:1001 |
16 |
1 |
382 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
7780 |
169.9 |
-0.8 |
0.304 |
4 |
0 |
0 |
0.058 |
Average: |
171.5 |
-1.0 |
0.319 |
4 |
0 |
0 |
0.058 |
10 |
16 |
|
B |
14 |
4 |
7617 |
◊ |
A |
-x+1,-y,z |
2_655 |
16 |
5 |
7780 |
114.0 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
C |
8 |
2 |
7393 |
◊ |
A |
-x,-y,z |
2_555 |
7 |
2 |
7780 |
86.5 |
0.6 |
0.754 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[TYU]A:1001 |
11 |
1 |
382 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
7393 |
79.2 |
-1.3 |
0.179 |
2 |
0 |
0 |
0.032 |
19 |
|
[TYU]D:1004 |
11 |
1 |
383 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
7617 |
78.6 |
-1.2 |
0.212 |
2 |
0 |
0 |
0.032 |
20 |
|
[TYU]C:1003 |
11 |
1 |
381 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
7780 |
78.6 |
-1.2 |
0.193 |
2 |
0 |
0 |
0.032 |
21 |
|
[TYU]B:1002 |
10 |
1 |
382 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
7745 |
77.5 |
-1.2 |
0.204 |
2 |
0 |
0 |
0.032 |
Average: |
78.5 |
-1.2 |
0.197 |
2 |
0 |
0 |
0.032 |
13 |
22 |
|
[SO4]A:1005 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
7780 |
67.9 |
-7.7 |
0.774 |
2 |
0 |
0 |
0.071 |
14 |
23 |
|
[SO4]A:1005 |
5 |
1 |
185 |
◊ |
A |
-x+1,-y,z |
2_655 |
12 |
6 |
7780 |
62.8 |
-6.9 |
0.806 |
3 |
0 |
0 |
0.068 |
15 |
24 |
|
[TYU]B:1002 |
6 |
1 |
382 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
7780 |
62.4 |
0.5 |
0.326 |
0 |
0 |
0 |
0.000 |
25 |
|
[TYU]C:1003 |
6 |
1 |
381 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
7745 |
62.0 |
0.5 |
0.345 |
0 |
0 |
0 |
0.000 |
26 |
|
[TYU]D:1004 |
7 |
1 |
383 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
7393 |
61.0 |
0.5 |
0.329 |
0 |
0 |
0 |
0.000 |
27 |
|
[TYU]A:1001 |
7 |
1 |
382 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
7617 |
60.7 |
0.5 |
0.339 |
0 |
0 |
0 |
0.000 |
Average: |
61.5 |
0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[SO4]A:1005 |
5 |
1 |
185 |
f |
[SO4]A:1005 |
-x+1,-y,z |
2_655 |
5 |
1 |
185 |
55.5 |
-11.6 |
0.993 |
0 |
0 |
0 |
0.100 |
17 |
29 |
|
A |
8 |
3 |
7780 |
◊ |
A |
x,-y,-z+1 |
4_556 |
8 |
3 |
7780 |
55.0 |
1.5 |
0.849 |
1 |
0 |
0 |
0.000 |
30 |
|
D |
7 |
3 |
7745 |
◊ |
D |
x,-y,-z+1 |
4_556 |
7 |
3 |
7745 |
49.4 |
1.4 |
0.862 |
1 |
0 |
0 |
0.000 |
Average: |
52.2 |
1.5 |
0.856 |
1 |
0 |
0 |
0.000 |
18 |
31 |
|
A |
5 |
2 |
7780 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
2 |
7780 |
42.1 |
0.7 |
0.795 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
D |
4 |
2 |
7745 |
◊ |
B |
-x,-y,z |
2_555 |
7 |
4 |
7617 |
41.4 |
-0.7 |
0.346 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[ZN]A:147 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
7780 |
31.3 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.505 |
34 |
|
[ZN]C:147 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
7393 |
31.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.505 |
35 |
|
[ZN]D:147 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
7745 |
31.2 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.505 |
36 |
|
[ZN]B:147 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
7617 |
31.0 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.505 |
Average: |
31.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.505 |
21 |
37 |
|
[TYU]C:1003 |
5 |
1 |
381 |
f |
[ZN]C:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.226 |
38 |
|
[TYU]B:1002 |
5 |
1 |
382 |
f |
[ZN]B:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.226 |
39 |
|
[TYU]D:1004 |
5 |
1 |
383 |
f |
[ZN]D:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.226 |
40 |
|
[TYU]A:1001 |
5 |
1 |
382 |
f |
[ZN]A:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
23.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.226 |
22 |
41 |
|
B |
2 |
2 |
7617 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
7393 |
17.4 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
[ZN]B:147 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7745 |
11.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
43 |
|
[ZN]C:147 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7780 |
11.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.080 |
44 |
|
[ZN]A:147 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7393 |
11.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.080 |
45 |
|
[ZN]D:147 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7617 |
11.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
11.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.080 |
24 |
46 |
|
C |
1 |
1 |
7393 |
◊ |
B |
-x,-y,z |
2_555 |
1 |
1 |
7617 |
0.5 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
|