## |
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 |
162 |
41 |
13516 |
◊ |
A |
x,y,z |
1_555 |
196 |
56 |
18396 |
1735.1 |
-24.0 |
0.109 |
28 |
2 |
0 |
0.374 |
2 |
2 |
|
B |
140 |
38 |
17498 |
◊ |
A |
x,y,z |
1_555 |
142 |
34 |
18396 |
1375.8 |
-11.5 |
0.158 |
13 |
8 |
0 |
0.171 |
3 |
|
D |
136 |
37 |
17422 |
◊ |
C |
x,y,z |
1_555 |
141 |
34 |
17210 |
1360.3 |
-11.4 |
0.164 |
16 |
8 |
0 |
0.171 |
Average: |
1368.0 |
-11.5 |
0.161 |
15 |
8 |
0 |
0.171 |
3 |
4 |
|
B |
144 |
40 |
17498 |
◊ |
C |
x,y,z |
1_555 |
137 |
40 |
17210 |
1258.4 |
-13.1 |
0.108 |
14 |
1 |
0 |
0.204 |
4 |
5 |
|
E |
69 |
15 |
13516 |
◊ |
C |
x,y,z |
1_555 |
89 |
26 |
17210 |
791.7 |
-7.2 |
0.427 |
7 |
5 |
0 |
0.098 |
5 |
6 |
|
E |
54 |
16 |
13516 |
◊ |
D |
x,y,z |
1_555 |
81 |
23 |
17422 |
668.1 |
-4.8 |
0.484 |
4 |
4 |
0 |
0.054 |
6 |
7 |
|
E |
58 |
14 |
13516 |
◊ |
B |
x,y,z |
1_555 |
84 |
22 |
17498 |
651.1 |
-2.6 |
0.655 |
5 |
4 |
0 |
0.049 |
7 |
8 |
|
D |
59 |
16 |
17422 |
x |
D |
x-1/2,-y+5/2,-z+1 |
4_476 |
54 |
16 |
17422 |
505.0 |
-0.8 |
0.548 |
6 |
1 |
0 |
0.000 |
8 |
9 |
|
D |
56 |
16 |
17422 |
◊ |
A |
x-1,y+1,z |
1_465 |
54 |
18 |
18396 |
502.0 |
4.3 |
0.899 |
5 |
6 |
0 |
0.000 |
9 |
10 |
|
[G2P]B:600 |
31 |
1 |
646 |
f |
B |
x,y,z |
1_555 |
69 |
33 |
17498 |
448.5 |
-3.0 |
0.534 |
13 |
0 |
0 |
0.092 |
11 |
|
[G2P]D:600 |
30 |
1 |
638 |
f |
D |
x,y,z |
1_555 |
71 |
32 |
17422 |
432.2 |
-3.2 |
0.498 |
16 |
0 |
0 |
0.092 |
Average: |
440.4 |
-3.1 |
0.516 |
15 |
0 |
0 |
0.092 |
10 |
12 |
|
[GTP]C:600 |
31 |
1 |
638 |
f |
C |
x,y,z |
1_555 |
68 |
29 |
17210 |
419.7 |
-3.3 |
0.596 |
19 |
0 |
0 |
0.123 |
13 |
|
[GTP]A:600 |
31 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
67 |
29 |
18396 |
414.6 |
-2.6 |
0.570 |
18 |
0 |
0 |
0.123 |
Average: |
417.1 |
-3.0 |
0.583 |
19 |
0 |
0 |
0.123 |
11 |
14 |
|
A |
40 |
14 |
18396 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
42 |
13 |
17210 |
348.6 |
-1.9 |
0.483 |
5 |
1 |
0 |
0.000 |
12 |
15 |
|
D |
42 |
13 |
17422 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
39 |
12 |
17498 |
285.2 |
3.0 |
0.853 |
4 |
0 |
0 |
0.000 |
13 |
16 |
|
A |
32 |
11 |
18396 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
11 |
17498 |
262.0 |
-0.0 |
0.644 |
3 |
2 |
0 |
0.000 |
14 |
17 |
|
A |
20 |
5 |
18396 |
◊ |
C |
x,y-1,z |
1_545 |
24 |
5 |
17210 |
212.2 |
0.1 |
0.661 |
4 |
3 |
0 |
0.000 |
15 |
18 |
|
E |
14 |
5 |
13516 |
◊ |
D |
x-1/2,-y+5/2,-z+1 |
4_476 |
16 |
6 |
17422 |
168.8 |
-3.0 |
0.166 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
E |
18 |
5 |
13516 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
5 |
17422 |
157.3 |
0.9 |
0.785 |
1 |
1 |
0 |
0.000 |
17 |
20 |
|
E |
15 |
4 |
13516 |
◊ |
C |
x,y-1,z |
1_545 |
11 |
3 |
17210 |
126.3 |
0.9 |
0.763 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[SO4]A:453 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18396 |
114.4 |
-15.8 |
0.686 |
3 |
0 |
0 |
0.175 |
19 |
22 |
|
[SO4]A:454 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
18396 |
105.3 |
-15.0 |
0.704 |
3 |
0 |
0 |
0.166 |
20 |
23 |
|
[SO4]D:457 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
17422 |
103.5 |
-12.5 |
0.904 |
4 |
0 |
0 |
0.124 |
21 |
24 |
|
[SO4]C:453 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
17210 |
98.1 |
-15.2 |
0.613 |
0 |
0 |
0 |
0.159 |
22 |
25 |
|
D |
18 |
6 |
17422 |
◊ |
[SO4]D:456 |
x-1/2,-y+5/2,-z+1 |
4_476 |
4 |
1 |
186 |
72.9 |
-9.8 |
0.719 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]B:456 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17498 |
72.2 |
-9.7 |
0.899 |
4 |
0 |
0 |
0.119 |
24 |
27 |
|
[SO4]D:456 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
17422 |
70.5 |
-9.5 |
0.873 |
5 |
0 |
0 |
0.101 |
25 |
28 |
|
[SO4]C:452 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
17210 |
68.8 |
-7.6 |
0.915 |
1 |
0 |
0 |
0.084 |
26 |
29 |
|
[SO4]A:452 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18396 |
64.6 |
-7.6 |
0.890 |
1 |
0 |
0 |
0.082 |
27 |
30 |
|
[GTP]A:600 |
8 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17498 |
59.3 |
1.2 |
0.810 |
1 |
0 |
0 |
0.000 |
31 |
|
[GTP]C:600 |
9 |
1 |
638 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17422 |
52.0 |
0.7 |
0.780 |
1 |
0 |
0 |
0.000 |
Average: |
55.6 |
1.0 |
0.795 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
E |
6 |
3 |
13516 |
◊ |
A |
x-1,y+1,z |
1_465 |
4 |
2 |
18396 |
56.6 |
1.4 |
0.895 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
D |
6 |
2 |
17422 |
x |
D |
x-1,y,z |
1_455 |
5 |
2 |
17422 |
49.1 |
0.9 |
0.811 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
18396 |
44.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.052 |
35 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
17210 |
43.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
43.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.052 |
31 |
36 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
17422 |
42.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.055 |
37 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17498 |
41.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
42.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.055 |
32 |
38 |
|
[G2P]D:600 |
5 |
1 |
638 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.057 |
39 |
|
[G2P]B:600 |
5 |
1 |
646 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
38.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.057 |
33 |
40 |
|
[SO4]C:452 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17422 |
35.3 |
-3.6 |
0.898 |
1 |
0 |
0 |
0.035 |
34 |
41 |
|
[SO4]A:452 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17498 |
34.7 |
-3.3 |
0.923 |
2 |
0 |
0 |
0.037 |
35 |
42 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[GTP]C:600 |
x,y,z |
1_555 |
4 |
1 |
638 |
32.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.048 |
43 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[GTP]A:600 |
x,y,z |
1_555 |
6 |
1 |
636 |
32.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
32.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.048 |
36 |
44 |
|
B |
3 |
1 |
17498 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
2 |
17422 |
26.3 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
D |
2 |
1 |
17422 |
◊ |
[SO4]A:454 |
x-1,y+1,z |
1_465 |
3 |
1 |
186 |
24.7 |
-2.3 |
0.970 |
1 |
0 |
0 |
0.000 |
38 |
46 |
|
A |
3 |
2 |
18396 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
13516 |
19.5 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
D |
2 |
2 |
17422 |
◊ |
[SO4]A:453 |
x-1,y+1,z |
1_465 |
4 |
1 |
187 |
16.0 |
-1.2 |
0.954 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17498 |
13.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
49 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17422 |
11.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
12.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
41 |
50 |
|
E |
3 |
1 |
13516 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
17210 |
12.6 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[SO4]B:456 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
17210 |
6.2 |
-0.8 |
0.668 |
0 |
0 |
0 |
0.009 |
43 |
52 |
|
D |
1 |
1 |
17422 |
◊ |
[SO4]D:457 |
x-1/2,-y+5/2,-z+1 |
4_476 |
1 |
1 |
185 |
4.9 |
-0.7 |
0.491 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
D |
1 |
1 |
17422 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
17210 |
4.8 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[G2P]B:600 |
1 |
1 |
646 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17210 |
4.0 |
0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
C |
1 |
1 |
17210 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
17210 |
2.1 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
|