## |
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 |
|
D |
167 |
43 |
10330 |
◊ |
B |
x,y,z |
1_555 |
174 |
44 |
10138 |
1599.3 |
-10.0 |
0.289 |
21 |
16 |
0 |
0.203 |
2 |
|
C |
175 |
44 |
10356 |
◊ |
A |
x,y,z |
1_555 |
170 |
40 |
10160 |
1575.7 |
-9.1 |
0.303 |
21 |
17 |
0 |
0.203 |
Average: |
1587.5 |
-9.6 |
0.296 |
21 |
17 |
0 |
0.203 |
2 |
3 |
|
D |
90 |
24 |
10330 |
◊ |
C |
x,y,z |
1_555 |
85 |
23 |
10356 |
795.8 |
-3.9 |
0.384 |
10 |
4 |
0 |
0.076 |
4 |
|
B |
86 |
23 |
10138 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
10160 |
792.8 |
-4.2 |
0.399 |
10 |
2 |
0 |
0.076 |
Average: |
794.3 |
-4.1 |
0.392 |
10 |
3 |
0 |
0.076 |
3 |
5 |
|
D |
39 |
10 |
10330 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
48 |
12 |
10160 |
354.4 |
-1.5 |
0.507 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
[SV2]A:301 |
23 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
10160 |
336.4 |
3.6 |
0.560 |
14 |
0 |
0 |
0.035 |
7 |
|
[SV2]B:301 |
22 |
1 |
607 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
10138 |
297.6 |
3.8 |
0.596 |
10 |
0 |
0 |
0.035 |
8 |
|
[SV2]D:302 |
20 |
1 |
609 |
f |
D |
x,y,z |
1_555 |
40 |
15 |
10330 |
295.8 |
3.8 |
0.638 |
12 |
0 |
0 |
0.035 |
9 |
|
[SV2]C:301 |
24 |
1 |
608 |
f |
C |
x,y,z |
1_555 |
40 |
15 |
10356 |
293.6 |
4.2 |
0.575 |
12 |
0 |
0 |
0.035 |
Average: |
305.8 |
3.9 |
0.592 |
12 |
0 |
0 |
0.035 |
5 |
10 |
|
D |
32 |
8 |
10330 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
10160 |
317.5 |
3.6 |
0.903 |
8 |
7 |
0 |
0.006 |
11 |
|
C |
26 |
7 |
10356 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
10138 |
290.9 |
3.2 |
0.889 |
6 |
7 |
0 |
0.006 |
Average: |
304.2 |
3.4 |
0.896 |
7 |
7 |
0 |
0.006 |
6 |
12 |
|
B |
21 |
7 |
10138 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
6 |
10160 |
188.0 |
-1.0 |
0.459 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
D |
17 |
5 |
10330 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
22 |
7 |
10356 |
171.2 |
-1.0 |
0.468 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
C |
10 |
2 |
10356 |
x |
C |
x-1,y,z |
1_455 |
20 |
6 |
10356 |
127.6 |
0.8 |
0.711 |
2 |
1 |
0 |
0.000 |
9 |
15 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
10160 |
95.3 |
-13.1 |
0.715 |
4 |
0 |
0 |
0.137 |
10 |
16 |
|
B |
11 |
4 |
10138 |
◊ |
C |
x,y,z-1 |
1_554 |
17 |
6 |
10356 |
92.7 |
-0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
11 |
5 |
10138 |
◊ |
C |
x-1,y,z-1 |
1_454 |
10 |
3 |
10356 |
91.1 |
-0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[SO4]C:304 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
10356 |
83.6 |
-11.9 |
0.876 |
5 |
0 |
0 |
0.131 |
13 |
19 |
|
[SO4]D:304 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
10330 |
81.2 |
-11.5 |
0.874 |
6 |
0 |
0 |
0.132 |
14 |
20 |
|
[SO4]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
10138 |
78.4 |
-11.5 |
0.816 |
4 |
0 |
0 |
0.123 |
15 |
21 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10160 |
46.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.128 |
22 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10356 |
46.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.128 |
23 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10138 |
46.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.128 |
24 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
10330 |
45.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
46.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.128 |
16 |
25 |
|
[SO4]C:304 |
3 |
1 |
186 |
f |
[SV2]C:301 |
x,y,z |
1_555 |
4 |
1 |
608 |
42.5 |
-4.8 |
0.384 |
0 |
0 |
0 |
0.044 |
17 |
26 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
10356 |
39.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.048 |
18 |
27 |
|
[SO4]B:303 |
4 |
1 |
185 |
f |
[SV2]B:301 |
x,y,z |
1_555 |
5 |
1 |
607 |
38.3 |
-4.5 |
0.365 |
0 |
0 |
0 |
0.042 |
19 |
28 |
|
[SO4]D:304 |
4 |
1 |
186 |
f |
[SV2]D:302 |
x,y,z |
1_555 |
5 |
1 |
609 |
37.8 |
-4.4 |
0.367 |
0 |
0 |
0 |
0.041 |
20 |
29 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
[SV2]D:302 |
x,y,z |
1_555 |
5 |
1 |
609 |
37.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.062 |
30 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[SV2]B:301 |
x,y,z |
1_555 |
7 |
1 |
607 |
36.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.062 |
31 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[SV2]A:301 |
x,y,z |
1_555 |
4 |
1 |
602 |
34.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.062 |
32 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[SV2]C:301 |
x,y,z |
1_555 |
3 |
1 |
608 |
25.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
33.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.062 |
21 |
33 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10160 |
36.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
34 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
10330 |
27.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.058 |
35 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
10138 |
27.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
30.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.058 |
22 |
36 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
[SV2]A:301 |
x,y,z |
1_555 |
5 |
1 |
602 |
34.8 |
-3.7 |
0.367 |
0 |
0 |
0 |
0.035 |
23 |
37 |
|
B |
6 |
2 |
10138 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
10330 |
33.1 |
0.4 |
0.705 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
B |
8 |
3 |
10138 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
4 |
10356 |
29.3 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
A |
2 |
1 |
10160 |
x |
A |
x-1,y,z |
1_455 |
4 |
2 |
10160 |
28.9 |
0.6 |
0.754 |
1 |
1 |
0 |
0.000 |
26 |
40 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[SO4]B:303 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.052 |
27 |
41 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
[SO4]D:304 |
x,y,z |
1_555 |
3 |
1 |
186 |
24.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.050 |
42 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
2 |
1 |
185 |
13.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
18.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.050 |
28 |
43 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.047 |
44 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[SO4]B:303 |
x,y,z |
1_555 |
2 |
1 |
185 |
14.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
18.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.047 |
29 |
45 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[SO4]C:304 |
x,y,z |
1_555 |
2 |
1 |
186 |
17.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.035 |
30 |
46 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
[SV2]D:302 |
x,y,z |
1_555 |
2 |
1 |
609 |
15.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.033 |
47 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[SV2]B:301 |
x,y,z |
1_555 |
3 |
1 |
607 |
14.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.033 |
48 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
[SV2]C:301 |
x,y,z |
1_555 |
4 |
1 |
608 |
13.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.033 |
49 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[SV2]A:301 |
x,y,z |
1_555 |
3 |
1 |
602 |
13.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
14.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.033 |
31 |
50 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
[SO4]D:304 |
x,y,z |
1_555 |
2 |
1 |
186 |
15.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.031 |
32 |
51 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
[SO4]C:304 |
x,y,z |
1_555 |
2 |
1 |
186 |
13.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.027 |
33 |
52 |
|
B |
2 |
1 |
10138 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
10330 |
4.3 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
|