## |
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 |
|
H |
80 |
20 |
4877 |
◊ |
G |
x,y,z |
1_555 |
79 |
22 |
4665 |
879.0 |
-11.6 |
0.047 |
8 |
1 |
0 |
0.484 |
2 |
|
D |
80 |
21 |
4752 |
◊ |
C |
x,y,z |
1_555 |
82 |
20 |
4838 |
843.8 |
-12.0 |
0.042 |
8 |
0 |
0 |
0.484 |
Average: |
861.4 |
-11.8 |
0.044 |
8 |
1 |
0 |
0.484 |
2 |
3 |
|
F |
75 |
21 |
4750 |
◊ |
E |
x,y,z |
1_555 |
74 |
19 |
4534 |
742.2 |
-12.0 |
0.039 |
5 |
0 |
0 |
0.530 |
4 |
|
B |
66 |
19 |
4760 |
◊ |
A |
x,y,z |
1_555 |
74 |
20 |
4826 |
731.8 |
-13.3 |
0.014 |
4 |
0 |
0 |
0.530 |
Average: |
737.0 |
-12.6 |
0.026 |
5 |
0 |
0 |
0.530 |
3 |
5 |
|
D |
44 |
13 |
4752 |
◊ |
G |
x,y-1,z |
1_545 |
41 |
14 |
4665 |
330.2 |
-1.0 |
0.462 |
1 |
2 |
0 |
0.000 |
6 |
|
C |
39 |
13 |
4838 |
◊ |
A |
-x,y,-z |
2_555 |
40 |
13 |
4826 |
305.9 |
-0.8 |
0.457 |
1 |
1 |
0 |
0.000 |
Average: |
318.0 |
-0.9 |
0.459 |
1 |
2 |
0 |
0.000 |
4 |
7 |
|
D |
30 |
9 |
4752 |
◊ |
B |
x,y-1,z |
1_545 |
35 |
10 |
4760 |
304.8 |
0.1 |
0.543 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
F |
38 |
8 |
4750 |
◊ |
A |
x,y,z |
1_555 |
33 |
6 |
4826 |
295.5 |
2.6 |
0.766 |
9 |
4 |
0 |
0.019 |
9 |
|
E |
18 |
5 |
4534 |
◊ |
B |
-x,y,-z+1 |
2_556 |
16 |
5 |
4760 |
173.4 |
1.5 |
0.692 |
3 |
2 |
0 |
0.019 |
Average: |
234.5 |
2.1 |
0.729 |
6 |
3 |
0 |
0.019 |
6 |
10 |
|
C |
31 |
7 |
4838 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
4826 |
283.7 |
-2.1 |
0.302 |
3 |
0 |
0 |
0.032 |
7 |
11 |
|
A |
25 |
9 |
4826 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
8 |
4760 |
246.6 |
-1.1 |
0.420 |
2 |
2 |
0 |
0.000 |
12 |
|
E |
19 |
8 |
4534 |
◊ |
F |
x,y-1,z |
1_545 |
24 |
8 |
4750 |
172.5 |
-2.2 |
0.292 |
0 |
0 |
0 |
0.000 |
Average: |
209.5 |
-1.7 |
0.356 |
1 |
1 |
0 |
0.000 |
8 |
13 |
|
F |
32 |
9 |
4750 |
◊ |
B |
x,y,z |
1_555 |
30 |
7 |
4760 |
246.6 |
0.3 |
0.524 |
3 |
0 |
0 |
0.010 |
14 |
|
E |
33 |
8 |
4534 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
4826 |
215.6 |
1.2 |
0.694 |
3 |
0 |
0 |
0.010 |
Average: |
231.1 |
0.7 |
0.609 |
3 |
0 |
0 |
0.010 |
9 |
15 |
|
D |
20 |
5 |
4752 |
◊ |
H |
-x-1/2,y-1/2,-z |
4_445 |
24 |
8 |
4877 |
219.1 |
0.0 |
0.555 |
4 |
0 |
0 |
0.000 |
16 |
|
C |
23 |
9 |
4838 |
◊ |
G |
-x-1/2,y-1/2,-z |
4_445 |
19 |
5 |
4665 |
207.4 |
0.1 |
0.570 |
4 |
0 |
0 |
0.000 |
Average: |
213.2 |
0.1 |
0.562 |
4 |
0 |
0 |
0.000 |
10 |
17 |
|
F |
28 |
7 |
4750 |
◊ |
B |
-x,y,-z+1 |
2_556 |
24 |
8 |
4760 |
206.8 |
1.4 |
0.684 |
2 |
0 |
0 |
0.000 |
18 |
|
E |
22 |
7 |
4534 |
◊ |
A |
-x,y,-z+1 |
2_556 |
27 |
7 |
4826 |
193.9 |
0.2 |
0.564 |
1 |
0 |
0 |
0.000 |
Average: |
200.4 |
0.8 |
0.624 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
H |
20 |
7 |
4877 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
4534 |
180.0 |
0.1 |
0.484 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
E |
23 |
5 |
4534 |
◊ |
G |
x,y-1,z |
1_545 |
21 |
8 |
4665 |
171.0 |
-1.5 |
0.384 |
2 |
0 |
0 |
0.000 |
13 |
21 |
|
H |
21 |
9 |
4877 |
◊ |
F |
x,y,z |
1_555 |
17 |
7 |
4750 |
153.8 |
-1.6 |
0.332 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
H |
20 |
8 |
4877 |
◊ |
G |
x,y-1,z |
1_545 |
18 |
7 |
4665 |
147.4 |
-2.5 |
0.254 |
2 |
0 |
0 |
0.000 |
15 |
23 |
|
C |
16 |
8 |
4838 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
4760 |
134.6 |
-0.7 |
0.462 |
1 |
0 |
0 |
0.010 |
16 |
24 |
|
H |
16 |
6 |
4877 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
16 |
5 |
4665 |
125.7 |
2.0 |
0.728 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
E |
14 |
5 |
4534 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
10 |
3 |
4665 |
116.1 |
-1.1 |
0.356 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[SO4]D:77 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
4752 |
107.9 |
-14.4 |
0.815 |
5 |
0 |
0 |
0.396 |
19 |
27 |
|
[SO4]H:77 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
23 |
12 |
4877 |
107.5 |
-14.6 |
0.829 |
4 |
0 |
0 |
0.516 |
20 |
28 |
|
C |
11 |
6 |
4838 |
◊ |
H |
-x-1/2,y-1/2,-z |
4_445 |
13 |
6 |
4877 |
103.8 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
D |
8 |
4 |
4752 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
5 |
4838 |
91.7 |
-1.9 |
0.201 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[SO4]A:78 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
4826 |
89.7 |
-13.5 |
0.710 |
3 |
0 |
0 |
0.266 |
23 |
31 |
|
[SO4]E:77 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
4534 |
85.6 |
-12.1 |
0.730 |
1 |
0 |
0 |
0.470 |
24 |
32 |
|
[SO4]B:77 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
4760 |
75.4 |
-8.8 |
0.805 |
3 |
0 |
0 |
0.182 |
25 |
33 |
|
D |
9 |
3 |
4752 |
f |
[SO4]B:78 |
x,y-1,z |
1_545 |
5 |
1 |
185 |
72.3 |
-8.8 |
0.863 |
2 |
0 |
0 |
0.233 |
26 |
34 |
|
G |
13 |
6 |
4665 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
4750 |
70.0 |
-0.6 |
0.458 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
H |
5 |
2 |
4877 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
4838 |
68.0 |
2.2 |
0.878 |
2 |
3 |
0 |
0.000 |
28 |
36 |
|
[SO4]A:77 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
4826 |
58.0 |
-7.4 |
0.849 |
3 |
0 |
0 |
0.156 |
29 |
37 |
|
[SO4]A:77 |
5 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
4750 |
56.8 |
-6.6 |
0.856 |
2 |
0 |
0 |
0.067 |
30 |
38 |
|
[SO4]E:77 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
4826 |
53.1 |
-7.2 |
0.533 |
2 |
0 |
0 |
0.073 |
31 |
39 |
|
D |
6 |
2 |
4752 |
◊ |
B |
-x,y-1,-z |
2_545 |
6 |
3 |
4760 |
52.5 |
1.7 |
0.824 |
1 |
2 |
0 |
0.000 |
32 |
40 |
|
[SO4]B:78 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
4760 |
51.3 |
-6.1 |
0.812 |
1 |
0 |
0 |
0.000 |
33 |
41 |
|
[SO4]A:78 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
4838 |
48.7 |
-6.3 |
0.666 |
2 |
0 |
0 |
0.066 |
34 |
42 |
|
[SO4]B:77 |
5 |
1 |
185 |
◊ |
E |
-x,y,-z+1 |
2_556 |
6 |
3 |
4534 |
36.3 |
-4.1 |
0.879 |
1 |
0 |
0 |
0.041 |
35 |
43 |
|
D |
5 |
2 |
4752 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4826 |
34.3 |
0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[SO4]B:77 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4826 |
33.7 |
-3.8 |
0.749 |
0 |
0 |
0 |
0.067 |
37 |
45 |
|
D |
3 |
1 |
4752 |
◊ |
E |
x,y,z-1 |
1_554 |
4 |
2 |
4534 |
31.1 |
0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
D |
6 |
3 |
4752 |
◊ |
H |
x,y-1,z |
1_545 |
5 |
3 |
4877 |
30.2 |
0.2 |
0.642 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[SO4]B:77 |
4 |
1 |
185 |
◊ |
F |
-x,y,-z+1 |
2_556 |
5 |
2 |
4750 |
28.5 |
-3.5 |
0.676 |
0 |
0 |
0 |
0.031 |
40 |
48 |
|
[SO4]A:77 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4760 |
25.4 |
-3.2 |
0.703 |
0 |
0 |
0 |
0.058 |
41 |
49 |
|
H |
1 |
1 |
4877 |
◊ |
F |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
4750 |
25.2 |
1.3 |
0.892 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[SO4]A:77 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
4534 |
24.8 |
-2.9 |
0.720 |
0 |
0 |
0 |
0.026 |
43 |
51 |
|
E |
5 |
2 |
4534 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
3 |
4877 |
22.9 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
C |
6 |
3 |
4838 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
2 |
4534 |
21.4 |
0.6 |
0.742 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
C |
3 |
1 |
4838 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
1 |
4665 |
18.0 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
46 |
54 |
|
D |
3 |
1 |
4752 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
4826 |
17.0 |
0.9 |
0.837 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
H |
2 |
1 |
4877 |
x |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
4877 |
13.3 |
-0.1 |
0.482 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
C |
3 |
1 |
4838 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
4760 |
7.2 |
-0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
D |
3 |
1 |
4752 |
◊ |
F |
x,y-1,z-1 |
1_544 |
1 |
1 |
4750 |
5.9 |
-0.2 |
0.416 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
F |
1 |
1 |
4750 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
4665 |
5.5 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
|