## |
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 |
170 |
44 |
12997 |
◊ |
A |
x,y,z |
1_555 |
173 |
44 |
13078 |
1811.1 |
-30.0 |
0.011 |
14 |
5 |
0 |
0.361 |
2 |
2 |
|
C |
91 |
25 |
6421 |
◊ |
A |
x,y,z |
1_555 |
103 |
25 |
13078 |
909.6 |
-13.8 |
0.046 |
10 |
1 |
0 |
0.149 |
3 |
|
D |
82 |
21 |
6449 |
◊ |
B |
x,y,z |
1_555 |
103 |
25 |
12997 |
848.1 |
-13.1 |
0.043 |
9 |
2 |
0 |
0.149 |
Average: |
878.8 |
-13.5 |
0.044 |
10 |
2 |
0 |
0.149 |
3 |
4 |
|
D |
46 |
12 |
6449 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
48 |
12 |
12997 |
434.8 |
-3.5 |
0.348 |
1 |
1 |
0 |
0.000 |
5 |
|
A |
49 |
13 |
13078 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
46 |
12 |
6421 |
433.8 |
-3.8 |
0.292 |
1 |
1 |
0 |
0.000 |
Average: |
434.3 |
-3.6 |
0.320 |
1 |
1 |
0 |
0.000 |
4 |
6 |
|
[ADP]A:501 |
27 |
1 |
525 |
f |
A |
x,y,z |
1_555 |
70 |
24 |
13078 |
385.6 |
-5.8 |
0.570 |
14 |
0 |
0 |
0.230 |
7 |
|
[ADP]B:501 |
27 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
68 |
23 |
12997 |
383.1 |
-5.8 |
0.561 |
13 |
0 |
0 |
0.230 |
Average: |
384.3 |
-5.8 |
0.566 |
14 |
0 |
0 |
0.230 |
5 |
8 |
|
A |
33 |
12 |
13078 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
39 |
9 |
12997 |
312.3 |
2.3 |
0.893 |
2 |
2 |
0 |
0.000 |
9 |
|
A |
34 |
8 |
13078 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
34 |
12 |
12997 |
310.3 |
1.5 |
0.851 |
4 |
2 |
0 |
0.000 |
Average: |
311.3 |
1.9 |
0.872 |
3 |
2 |
0 |
0.000 |
6 |
10 |
|
C |
24 |
7 |
6421 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
12997 |
220.3 |
2.2 |
0.785 |
3 |
2 |
0 |
0.000 |
11 |
|
D |
23 |
8 |
6449 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
13078 |
217.2 |
2.5 |
0.800 |
1 |
1 |
0 |
0.000 |
Average: |
218.7 |
2.3 |
0.792 |
2 |
2 |
0 |
0.000 |
7 |
12 |
|
B |
21 |
7 |
12997 |
◊ |
A |
-x,y,-z |
2_555 |
23 |
7 |
13078 |
197.4 |
-2.5 |
0.377 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
21 |
5 |
13078 |
◊ |
D |
x-1,y,z |
1_455 |
24 |
8 |
6449 |
183.3 |
-1.9 |
0.423 |
1 |
1 |
0 |
0.000 |
14 |
|
C |
22 |
7 |
6421 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
4 |
12997 |
176.9 |
-1.2 |
0.466 |
2 |
2 |
0 |
0.000 |
Average: |
180.1 |
-1.5 |
0.445 |
2 |
2 |
0 |
0.000 |
9 |
15 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
12997 |
109.5 |
-15.4 |
0.751 |
2 |
0 |
0 |
0.158 |
10 |
16 |
|
[SO4]A:504 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
13078 |
109.3 |
-15.8 |
0.736 |
3 |
0 |
0 |
0.167 |
11 |
17 |
|
A |
12 |
4 |
13078 |
◊ |
A |
-x,y,-z |
2_555 |
12 |
4 |
13078 |
109.2 |
-2.2 |
0.272 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[SO4]C:204 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
6421 |
107.6 |
-15.0 |
0.810 |
3 |
0 |
0 |
0.131 |
13 |
19 |
|
[SO4]D:203 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
6449 |
106.1 |
-14.8 |
0.832 |
1 |
0 |
0 |
0.135 |
14 |
20 |
|
[CIT]D:206 |
9 |
1 |
314 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
12 |
4 |
12997 |
85.0 |
0.2 |
0.428 |
4 |
0 |
0 |
0.000 |
15 |
21 |
|
[SO4]D:204 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
6449 |
72.9 |
-10.7 |
0.633 |
4 |
0 |
0 |
0.111 |
16 |
22 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6421 |
72.7 |
-9.5 |
0.849 |
3 |
0 |
0 |
0.086 |
17 |
23 |
|
[SO4]C:202 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6421 |
71.7 |
-10.6 |
0.641 |
4 |
0 |
0 |
0.099 |
18 |
24 |
|
[SO4]B:503 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6421 |
69.8 |
-10.1 |
0.727 |
4 |
0 |
0 |
0.094 |
19 |
25 |
|
[SO4]D:205 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
6449 |
67.9 |
-10.1 |
0.697 |
4 |
0 |
0 |
0.105 |
20 |
26 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
6421 |
66.9 |
-9.3 |
0.793 |
3 |
0 |
0 |
0.085 |
21 |
27 |
|
[SO4]B:503 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12997 |
59.2 |
-7.7 |
0.860 |
3 |
0 |
0 |
0.072 |
22 |
28 |
|
[SO4]D:202 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
6449 |
58.6 |
-8.3 |
0.719 |
3 |
0 |
0 |
0.085 |
23 |
29 |
|
[SO4]D:205 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
13078 |
57.6 |
-7.3 |
0.860 |
2 |
0 |
0 |
0.072 |
24 |
30 |
|
[CIT]D:206 |
6 |
1 |
314 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
12997 |
52.3 |
0.5 |
0.507 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
6421 |
50.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.080 |
32 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
6449 |
49.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
50.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.080 |
26 |
33 |
|
[CIT]D:206 |
7 |
1 |
314 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
6449 |
47.8 |
1.5 |
0.606 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
[SO4]A:502 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13078 |
45.3 |
-5.3 |
0.697 |
1 |
0 |
0 |
0.039 |
28 |
35 |
|
B |
6 |
3 |
12997 |
x |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
11 |
5 |
12997 |
44.9 |
-0.6 |
0.523 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
8 |
3 |
13078 |
x |
A |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
5 |
2 |
13078 |
34.6 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
Average: |
39.7 |
-0.5 |
0.524 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[SO4]D:202 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13078 |
44.8 |
-4.7 |
0.918 |
1 |
0 |
0 |
0.045 |
30 |
38 |
|
[SO4]A:503 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
13078 |
41.8 |
-3.9 |
0.981 |
1 |
0 |
0 |
0.030 |
31 |
39 |
|
[SO4]A:502 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12997 |
39.9 |
-5.7 |
0.429 |
0 |
0 |
0 |
0.046 |
32 |
40 |
|
[SO4]A:503 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
6421 |
39.2 |
-5.0 |
0.784 |
0 |
0 |
0 |
0.040 |
33 |
41 |
|
[SO4]B:502 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12997 |
38.0 |
-3.2 |
0.980 |
2 |
0 |
0 |
0.039 |
34 |
42 |
|
[SO4]D:202 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12997 |
37.8 |
-4.0 |
0.651 |
0 |
0 |
0 |
0.034 |
35 |
43 |
|
[SO4]D:204 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
12997 |
37.3 |
-4.3 |
0.635 |
0 |
0 |
0 |
0.037 |
36 |
44 |
|
[SO4]A:503 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12997 |
35.9 |
-4.0 |
0.877 |
1 |
0 |
0 |
0.035 |
37 |
45 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
6449 |
35.9 |
-4.4 |
0.739 |
0 |
0 |
0 |
0.039 |
38 |
46 |
|
[SO4]B:502 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
13078 |
35.3 |
-4.1 |
0.878 |
1 |
0 |
0 |
0.045 |
39 |
47 |
|
[SO4]C:202 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13078 |
35.2 |
-4.2 |
0.676 |
0 |
0 |
0 |
0.029 |
40 |
48 |
|
[CIT]D:206 |
5 |
1 |
314 |
f |
[SO4]D:202 |
x,y,z |
1_555 |
3 |
1 |
187 |
29.5 |
-2.2 |
0.627 |
0 |
0 |
0 |
0.020 |
41 |
49 |
|
[CIT]D:206 |
4 |
1 |
314 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13078 |
22.9 |
0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
A |
3 |
3 |
13078 |
◊ |
[SO4]B:503 |
-x-1/2,y-1/2,-z-1/2 |
4_444 |
1 |
1 |
187 |
17.1 |
-2.2 |
0.589 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
[SO4]D:205 |
1 |
1 |
187 |
◊ |
B |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
3 |
3 |
12997 |
16.4 |
-2.2 |
0.552 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[SO4]D:205 |
2 |
1 |
187 |
f |
[SO4]D:202 |
x,y,z |
1_555 |
2 |
1 |
187 |
13.9 |
-3.3 |
0.960 |
0 |
0 |
0 |
0.030 |
45 |
53 |
|
[SO4]B:503 |
2 |
1 |
187 |
f |
[SO4]A:502 |
x,y,z |
1_555 |
2 |
1 |
187 |
12.8 |
-3.1 |
0.960 |
0 |
0 |
0 |
0.025 |
46 |
54 |
|
[MG]C:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13078 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
55 |
|
[MG]D:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12997 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
47 |
56 |
|
[CIT]D:206 |
1 |
1 |
314 |
f |
[SO4]D:205 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.2 |
-0.2 |
0.408 |
0 |
0 |
0 |
0.002 |
|