## |
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 |
125 |
34 |
5792 |
◊ |
A |
x,y,z |
1_555 |
130 |
39 |
5756 |
1277.5 |
-17.6 |
0.067 |
11 |
0 |
0 |
0.317 |
2 |
|
D |
125 |
37 |
5763 |
◊ |
C |
x,y,z |
1_555 |
124 |
36 |
5682 |
1224.4 |
-18.6 |
0.102 |
11 |
0 |
0 |
0.317 |
Average: |
1250.9 |
-18.1 |
0.085 |
11 |
0 |
0 |
0.317 |
2 |
3 |
|
C |
51 |
14 |
5682 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
5792 |
487.3 |
-1.5 |
0.751 |
12 |
0 |
0 |
0.073 |
4 |
|
D |
54 |
14 |
5763 |
◊ |
A |
x,y,z |
1_555 |
52 |
14 |
5756 |
486.8 |
-1.3 |
0.744 |
12 |
0 |
0 |
0.073 |
Average: |
487.1 |
-1.4 |
0.747 |
12 |
0 |
0 |
0.073 |
3 |
5 |
|
D |
43 |
14 |
5763 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
47 |
15 |
5792 |
401.9 |
-1.9 |
0.668 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
30 |
12 |
5756 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
33 |
13 |
5756 |
226.3 |
-0.7 |
0.703 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
22 |
12 |
5682 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
5756 |
198.6 |
-1.9 |
0.478 |
2 |
4 |
0 |
0.037 |
8 |
|
D |
22 |
11 |
5763 |
◊ |
B |
x,y,z |
1_555 |
20 |
11 |
5792 |
195.1 |
-1.9 |
0.411 |
2 |
4 |
0 |
0.037 |
Average: |
196.8 |
-1.9 |
0.445 |
2 |
4 |
0 |
0.037 |
6 |
9 |
|
A |
17 |
5 |
5756 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
14 |
4 |
5792 |
152.1 |
0.2 |
0.732 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
18 |
7 |
5682 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
6 |
5756 |
144.3 |
-0.5 |
0.684 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
16 |
6 |
5682 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
20 |
6 |
5792 |
142.0 |
-0.8 |
0.593 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
16 |
6 |
5756 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
13 |
6 |
5763 |
125.9 |
-1.2 |
0.493 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
A |
17 |
8 |
5756 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
9 |
5792 |
119.1 |
-1.6 |
0.406 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
C |
10 |
3 |
5682 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
6 |
5682 |
111.9 |
0.0 |
0.757 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
C |
9 |
3 |
5682 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
5 |
5763 |
103.4 |
0.4 |
0.714 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
D |
8 |
3 |
5763 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
6 |
5682 |
102.7 |
0.2 |
0.703 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
D |
16 |
7 |
5763 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
15 |
8 |
5756 |
95.7 |
-1.3 |
0.458 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
12 |
5 |
5682 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
11 |
6 |
5792 |
88.7 |
-1.2 |
0.456 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
5756 |
84.6 |
-10.9 |
0.905 |
4 |
0 |
0 |
0.142 |
17 |
20 |
|
C |
4 |
2 |
5682 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
5756 |
45.7 |
0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
C |
12 |
7 |
5682 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
6 |
5763 |
45.7 |
-0.2 |
0.665 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
5792 |
40.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.307 |
23 |
|
[CA]C:405 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
5682 |
40.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.307 |
24 |
|
[CA]D:407 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
5763 |
39.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.307 |
25 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
5756 |
35.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.307 |
Average: |
38.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.307 |
20 |
26 |
|
[CA]B:404 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
5792 |
34.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.213 |
27 |
|
[CA]C:406 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
5682 |
33.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.213 |
28 |
|
[CA]D:408 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
5763 |
33.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.213 |
29 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
5756 |
30.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.213 |
Average: |
32.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.213 |
21 |
30 |
|
C |
5 |
1 |
5682 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
5792 |
26.3 |
0.3 |
0.739 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[CA]C:406 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5763 |
23.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.088 |
32 |
|
[CA]D:408 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5682 |
22.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
33 |
|
[CA]B:404 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5756 |
22.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.088 |
34 |
|
[CA]A:402 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5792 |
21.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
22.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.088 |
23 |
35 |
|
[SO4]A:503 |
2 |
1 |
186 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
5792 |
14.7 |
-1.8 |
0.729 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[SO4]A:503 |
1 |
1 |
186 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
37 |
|
[SO4]A:503 |
2 |
1 |
186 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
26 |
38 |
|
[CA]D:408 |
1 |
1 |
85 |
f |
[CA]D:407 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.038 |
27 |
39 |
|
[CA]B:404 |
1 |
1 |
85 |
f |
[CA]B:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.031 |
28 |
40 |
|
[SO4]A:503 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5792 |
9.3 |
-0.8 |
0.881 |
0 |
0 |
0 |
0.009 |
29 |
41 |
|
[CA]C:406 |
1 |
1 |
85 |
f |
[CA]C:405 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.036 |
30 |
42 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.030 |
31 |
43 |
|
B |
1 |
1 |
5792 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
5763 |
3.8 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
B |
1 |
1 |
5792 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
5792 |
3.1 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
D |
1 |
1 |
5763 |
x |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
5763 |
2.1 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
|