## |
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 |
|
E |
136 |
34 |
12392 |
◊ |
A |
x,y,z |
1_555 |
167 |
48 |
17698 |
1508.4 |
-17.5 |
0.173 |
19 |
8 |
0 |
0.488 |
2 |
2 |
|
D |
141 |
39 |
17319 |
◊ |
C |
x,y,z |
1_555 |
144 |
39 |
17888 |
1352.6 |
-10.7 |
0.250 |
15 |
11 |
0 |
0.291 |
3 |
|
B |
140 |
36 |
17595 |
◊ |
A |
x,y,z |
1_555 |
140 |
35 |
17698 |
1304.2 |
-13.6 |
0.101 |
13 |
8 |
0 |
0.291 |
Average: |
1328.4 |
-12.2 |
0.175 |
14 |
10 |
0 |
0.291 |
3 |
4 |
|
B |
97 |
27 |
17595 |
◊ |
C |
x,y,z |
1_555 |
113 |
30 |
17888 |
916.0 |
-10.7 |
0.116 |
14 |
3 |
0 |
0.267 |
4 |
5 |
|
D |
92 |
25 |
17319 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
96 |
29 |
17046 |
814.0 |
3.9 |
0.780 |
13 |
4 |
0 |
0.000 |
5 |
6 |
|
E |
78 |
17 |
12392 |
◊ |
C |
x,y,z |
1_555 |
85 |
25 |
17888 |
804.8 |
-10.1 |
0.187 |
5 |
3 |
0 |
0.147 |
6 |
7 |
|
F |
83 |
23 |
17046 |
◊ |
A |
x,y,z |
1_555 |
89 |
25 |
17698 |
789.2 |
0.8 |
0.763 |
8 |
7 |
0 |
0.000 |
7 |
8 |
|
E |
61 |
17 |
12392 |
◊ |
D |
x,y,z |
1_555 |
81 |
24 |
17319 |
698.6 |
-3.9 |
0.537 |
5 |
4 |
0 |
0.077 |
8 |
9 |
|
E |
61 |
15 |
12392 |
◊ |
B |
x,y,z |
1_555 |
77 |
21 |
17595 |
656.7 |
-2.5 |
0.567 |
6 |
5 |
0 |
0.061 |
9 |
10 |
|
C |
58 |
17 |
17888 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
47 |
12 |
12392 |
496.8 |
-0.7 |
0.687 |
7 |
6 |
0 |
0.000 |
10 |
11 |
|
F |
48 |
13 |
17046 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
17595 |
487.6 |
1.3 |
0.739 |
4 |
0 |
0 |
0.000 |
11 |
12 |
|
[ACP]F:401 |
31 |
1 |
623 |
f |
F |
x,y,z |
1_555 |
57 |
24 |
17046 |
435.8 |
-0.6 |
0.639 |
12 |
0 |
0 |
0.037 |
12 |
13 |
|
[GTP]A:501 |
32 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
61 |
30 |
17698 |
420.5 |
-2.7 |
0.563 |
20 |
0 |
0 |
0.209 |
14 |
|
[GTP]C:501 |
32 |
1 |
629 |
f |
C |
x,y,z |
1_555 |
71 |
31 |
17888 |
412.0 |
-2.5 |
0.574 |
20 |
0 |
0 |
0.209 |
Average: |
416.3 |
-2.6 |
0.569 |
20 |
0 |
0 |
0.209 |
13 |
15 |
|
[GDP]D:501 |
28 |
1 |
565 |
f |
D |
x,y,z |
1_555 |
61 |
27 |
17319 |
403.9 |
-7.1 |
0.500 |
10 |
0 |
0 |
0.177 |
16 |
|
[GDP]B:501 |
28 |
1 |
564 |
f |
B |
x,y,z |
1_555 |
65 |
27 |
17595 |
393.4 |
-6.2 |
0.539 |
12 |
0 |
0 |
0.177 |
Average: |
398.6 |
-6.7 |
0.520 |
11 |
0 |
0 |
0.177 |
14 |
17 |
|
C |
35 |
12 |
17888 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
34 |
13 |
17698 |
315.3 |
-1.0 |
0.528 |
3 |
2 |
0 |
0.000 |
15 |
18 |
|
C |
33 |
9 |
17888 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
11 |
17698 |
290.7 |
-0.4 |
0.632 |
1 |
1 |
0 |
0.000 |
16 |
19 |
|
C |
31 |
10 |
17888 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
5 |
12392 |
239.5 |
-1.4 |
0.529 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
23 |
6 |
17595 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
28 |
9 |
17319 |
220.9 |
-0.3 |
0.557 |
2 |
4 |
0 |
0.000 |
18 |
21 |
|
C |
29 |
7 |
17888 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
17595 |
203.9 |
-0.8 |
0.532 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[MES]B:504 |
12 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
17595 |
192.9 |
8.3 |
0.398 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
D |
23 |
8 |
17319 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
9 |
12392 |
186.4 |
2.8 |
0.885 |
3 |
4 |
0 |
0.000 |
21 |
24 |
|
D |
18 |
5 |
17319 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
20 |
6 |
17698 |
158.0 |
1.5 |
0.824 |
0 |
1 |
0 |
0.000 |
22 |
25 |
|
[W0Y]B:505 |
11 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
17595 |
153.7 |
1.5 |
0.306 |
3 |
0 |
0 |
0.000 |
23 |
26 |
|
[W0Y]B:505 |
12 |
1 |
363 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
17888 |
145.7 |
0.8 |
0.220 |
2 |
0 |
0 |
0.001 |
24 |
27 |
|
B |
15 |
5 |
17595 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
12392 |
143.5 |
-0.6 |
0.585 |
1 |
1 |
0 |
0.000 |
25 |
28 |
|
[W0Y]C:504 |
12 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
17888 |
129.5 |
2.1 |
0.346 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
A |
11 |
4 |
17698 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
17046 |
89.0 |
0.5 |
0.552 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
C |
7 |
3 |
17888 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
20 |
8 |
17888 |
88.9 |
0.5 |
0.744 |
2 |
0 |
0 |
0.000 |
28 |
31 |
|
[W0Y]C:504 |
7 |
1 |
364 |
f |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
6 |
17698 |
88.8 |
0.4 |
0.257 |
1 |
0 |
0 |
0.001 |
29 |
32 |
|
[W0Y]C:504 |
10 |
1 |
364 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
2 |
12392 |
80.8 |
1.7 |
0.342 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
B |
7 |
4 |
17595 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
12392 |
57.0 |
-0.8 |
0.369 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[GTP]C:501 |
9 |
1 |
629 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17319 |
51.0 |
0.8 |
0.766 |
1 |
0 |
0 |
0.000 |
35 |
|
[GTP]A:501 |
3 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17595 |
29.2 |
0.5 |
0.674 |
0 |
0 |
0 |
0.000 |
Average: |
40.1 |
0.6 |
0.720 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
17319 |
49.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.084 |
37 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17595 |
47.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
48.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.084 |
33 |
38 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17698 |
43.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.077 |
39 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17888 |
40.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
42.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.077 |
34 |
40 |
|
[MES]B:504 |
5 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17698 |
43.4 |
0.5 |
0.058 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[CA]E:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17698 |
42.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.125 |
36 |
42 |
|
[ACP]F:401 |
4 |
1 |
623 |
f |
[MG]F:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
43 |
|
[MG]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
17046 |
37.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.025 |
38 |
44 |
|
[GDP]B:501 |
6 |
1 |
564 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.077 |
45 |
|
[GDP]D:501 |
4 |
1 |
565 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
33.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.077 |
39 |
46 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
4 |
1 |
631 |
32.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.080 |
47 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
4 |
1 |
629 |
30.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
31.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.080 |
40 |
48 |
|
C |
8 |
4 |
17888 |
f |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
31.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.086 |
41 |
49 |
|
[CA]B:503 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
17595 |
29.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
B |
1 |
1 |
17595 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
17046 |
18.8 |
-0.5 |
0.195 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[CA]E:201 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12392 |
18.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.047 |
44 |
52 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17595 |
16.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
53 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17319 |
14.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
15.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.013 |
45 |
54 |
|
[MES]B:504 |
2 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12392 |
8.5 |
0.1 |
0.165 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
[W0Y]C:504 |
2 |
1 |
364 |
f |
[CA]C:503 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
47 |
56 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17888 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
48 |
57 |
|
D |
1 |
1 |
17319 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17595 |
0.9 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
|