## |
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 |
278 |
76 |
15543 |
◊ |
A |
x,y,z |
1_555 |
272 |
74 |
15683 |
2549.3 |
-19.0 |
0.313 |
65 |
18 |
0 |
0.958 |
2 |
|
D |
276 |
76 |
15602 |
◊ |
C |
x,y,z |
1_555 |
284 |
75 |
15501 |
2537.3 |
-18.2 |
0.292 |
61 |
17 |
0 |
0.958 |
Average: |
2543.3 |
-18.6 |
0.302 |
63 |
18 |
0 |
0.958 |
2 |
3 |
|
D |
65 |
17 |
15602 |
◊ |
A |
x,y,z |
1_555 |
65 |
17 |
15683 |
619.4 |
-10.9 |
0.050 |
10 |
1 |
0 |
0.148 |
4 |
|
C |
63 |
17 |
15501 |
◊ |
B |
x,y,z |
1_555 |
65 |
17 |
15543 |
609.6 |
-9.5 |
0.087 |
11 |
1 |
0 |
0.148 |
Average: |
614.5 |
-10.2 |
0.069 |
11 |
1 |
0 |
0.148 |
3 |
5 |
|
[COA]A:393 |
38 |
1 |
985 |
◊ |
A |
x,y,z |
1_555 |
66 |
27 |
15683 |
525.2 |
4.7 |
0.565 |
5 |
0 |
0 |
0.000 |
6 |
|
[COA]C:393 |
39 |
1 |
987 |
◊ |
C |
x,y,z |
1_555 |
61 |
26 |
15501 |
519.9 |
5.8 |
0.573 |
4 |
0 |
0 |
0.000 |
7 |
|
[COA]B:393 |
39 |
1 |
984 |
◊ |
B |
x,y,z |
1_555 |
61 |
27 |
15543 |
517.6 |
4.4 |
0.424 |
5 |
0 |
0 |
0.000 |
8 |
|
[COA]D:393 |
39 |
1 |
995 |
◊ |
D |
x,y,z |
1_555 |
65 |
27 |
15602 |
507.3 |
5.6 |
0.529 |
5 |
0 |
0 |
0.000 |
Average: |
517.5 |
5.1 |
0.523 |
5 |
0 |
0 |
0.000 |
4 |
9 |
|
A |
64 |
20 |
15683 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
63 |
20 |
15683 |
523.5 |
-3.1 |
0.526 |
5 |
2 |
0 |
0.000 |
10 |
|
B |
57 |
16 |
15543 |
x |
B |
-x,y-1/2,-z |
2_545 |
59 |
20 |
15543 |
492.4 |
-3.7 |
0.438 |
4 |
2 |
0 |
0.000 |
Average: |
508.0 |
-3.4 |
0.482 |
5 |
2 |
0 |
0.000 |
5 |
11 |
|
C |
46 |
12 |
15501 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
13 |
15501 |
375.5 |
-1.3 |
0.601 |
1 |
0 |
0 |
0.000 |
6 |
12 |
|
D |
31 |
10 |
15602 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
15543 |
273.6 |
-2.3 |
0.398 |
5 |
0 |
0 |
0.022 |
7 |
13 |
|
C |
31 |
10 |
15501 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
15683 |
265.4 |
-2.0 |
0.454 |
4 |
0 |
0 |
0.019 |
8 |
14 |
|
C |
31 |
10 |
15501 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
8 |
15602 |
247.1 |
-2.0 |
0.423 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
13 |
4 |
15683 |
◊ |
B |
x,y-1,z |
1_545 |
15 |
5 |
15543 |
95.3 |
0.6 |
0.745 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
D |
10 |
4 |
15602 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
3 |
15501 |
92.1 |
0.4 |
0.685 |
3 |
1 |
0 |
0.000 |
11 |
17 |
|
[SO4]B:724 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15543 |
85.9 |
-12.1 |
0.814 |
2 |
0 |
0 |
0.103 |
12 |
18 |
|
[SO4]A:723 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15683 |
82.9 |
-11.9 |
0.792 |
2 |
0 |
0 |
0.102 |
13 |
19 |
|
[SO4]B:721 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
15543 |
75.3 |
-10.4 |
0.867 |
4 |
0 |
0 |
0.096 |
14 |
20 |
|
[SO4]A:720 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15683 |
72.1 |
-9.7 |
0.885 |
4 |
0 |
0 |
0.091 |
15 |
21 |
|
[SO4]A:722 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15683 |
65.7 |
-8.3 |
0.920 |
2 |
0 |
0 |
0.073 |
16 |
22 |
|
[SO4]B:719 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15543 |
64.3 |
-7.8 |
0.947 |
3 |
0 |
0 |
0.073 |
17 |
23 |
|
[COA]A:393 |
8 |
1 |
985 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
15602 |
47.7 |
-1.1 |
0.046 |
0 |
0 |
0 |
0.100 |
24 |
|
[COA]B:393 |
7 |
1 |
984 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
15501 |
45.7 |
-0.9 |
0.076 |
0 |
0 |
0 |
0.100 |
25 |
|
[COA]D:393 |
7 |
1 |
995 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15683 |
40.7 |
-0.9 |
0.108 |
0 |
0 |
0 |
0.100 |
26 |
|
[COA]C:393 |
1 |
1 |
987 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
15543 |
20.6 |
-1.3 |
0.080 |
0 |
0 |
0 |
0.100 |
Average: |
38.7 |
-1.0 |
0.078 |
0 |
0 |
0 |
0.100 |
18 |
27 |
|
[SO4]B:719 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
15683 |
25.9 |
-3.0 |
0.857 |
0 |
0 |
0 |
0.024 |
19 |
28 |
|
A |
5 |
3 |
15683 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
3 |
15543 |
25.7 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
6 |
4 |
15683 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
4 |
15543 |
21.1 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
Average: |
23.4 |
0.3 |
0.712 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[SO4]A:722 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15543 |
22.5 |
-2.3 |
0.848 |
0 |
0 |
0 |
0.018 |
21 |
31 |
|
[SO4]A:722 |
3 |
1 |
188 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15543 |
14.3 |
-0.9 |
0.979 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[COA]A:393 |
3 |
1 |
985 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15501 |
14.2 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.003 |
33 |
|
[COA]C:393 |
2 |
1 |
987 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15683 |
6.5 |
-0.1 |
0.515 |
0 |
0 |
0 |
0.003 |
Average: |
10.3 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.003 |
23 |
34 |
|
A |
1 |
1 |
15683 |
◊ |
[SO4]B:719 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
187 |
10.8 |
-1.5 |
0.392 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
D |
1 |
1 |
15602 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
15602 |
5.3 |
0.1 |
0.791 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[COA]B:393 |
1 |
1 |
984 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15683 |
3.5 |
-0.1 |
0.422 |
0 |
0 |
0 |
0.000 |
37 |
|
[COA]A:393 |
1 |
1 |
985 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15543 |
2.5 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
38 |
|
[COA]C:393 |
1 |
1 |
987 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15602 |
0.7 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
39 |
|
[COA]D:393 |
1 |
1 |
995 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15501 |
0.3 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.001 |
|