| ## |
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 |
46 |
8 |
4693 |
◊ |
A |
x,y,z |
1_555 |
45 |
8 |
4691 |
365.2 |
-0.5 |
0.959 |
16 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
31 |
2 |
4693 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
31 |
2 |
4691 |
195.1 |
3.5 |
0.976 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
17 |
5 |
4693 |
◊ |
A |
x-1,-y+1,-z+1 |
4_466 |
15 |
4 |
4691 |
130.0 |
-5.2 |
0.539 |
0 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
14 |
2 |
4693 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
14 |
2 |
4693 |
106.4 |
-2.4 |
0.682 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
16 |
2 |
4693 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
13 |
1 |
4691 |
103.2 |
0.8 |
0.842 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
13 |
4 |
4693 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
15 |
4 |
4691 |
102.8 |
-3.0 |
0.636 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
15 |
1 |
4691 |
◊ |
A |
-x+2,y,-z+3/2 |
3_756 |
15 |
1 |
4691 |
95.0 |
3.3 |
0.953 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[SO4]B:102 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
4693 |
70.0 |
-8.4 |
0.929 |
2 |
0 |
0 |
0.038 |
| 9 |
9 |
|
A |
11 |
3 |
4691 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
11 |
3 |
4691 |
64.1 |
-0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[SO4]B:109 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
4693 |
62.4 |
-8.5 |
0.816 |
3 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NA]B:111 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
4693 |
61.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.035 |
| 12 |
12 |
|
B |
9 |
2 |
4693 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
9 |
2 |
4693 |
58.6 |
-1.8 |
0.615 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[SO4]B:109 |
4 |
1 |
188 |
cf |
[SO4]B:109 |
-x+1,y,-z+3/2 |
3_656 |
4 |
1 |
188 |
55.2 |
-12.4 |
0.973 |
0 |
0 |
0 |
0.100 |
| 14 |
14 |
|
[SO4]A:104 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
4691 |
54.6 |
-6.9 |
0.842 |
2 |
0 |
0 |
0.032 |
| 15 |
15 |
|
[NA]A:107 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
4691 |
52.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.026 |
| 16 |
16 |
|
[SO4]A:114 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
4693 |
51.1 |
-7.1 |
0.768 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[SO4]A:114 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
4691 |
48.5 |
-6.2 |
0.872 |
1 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[MG]B:110 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
4693 |
43.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.025 |
| 19 |
19 |
|
B |
7 |
2 |
4693 |
◊ |
A |
x-3/2,y-1/2,z |
5_345 |
7 |
2 |
4691 |
43.5 |
-2.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[SO4]A:104 |
4 |
1 |
188 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
9 |
2 |
4693 |
42.8 |
-5.2 |
0.870 |
0 |
0 |
0 |
0.009 |
| 21 |
21 |
|
B |
7 |
4 |
4693 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
4691 |
42.7 |
-2.5 |
0.418 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[SO4]A:106 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
4691 |
41.4 |
-4.2 |
0.924 |
2 |
0 |
0 |
0.000 |
| 23 |
23 |
|
B |
5 |
2 |
4693 |
◊ |
[SO4]A:114 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
41.1 |
-5.8 |
0.718 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[SO4]B:101 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
4693 |
39.8 |
-4.4 |
0.906 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[SO4]B:102 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
4691 |
37.3 |
-6.6 |
0.444 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
B |
4 |
1 |
4693 |
x |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
6 |
2 |
4693 |
36.1 |
-1.7 |
0.492 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[MG]A:108 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
4691 |
33.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.019 |
| 28 |
28 |
|
[SO4]B:109 |
4 |
1 |
188 |
◊ |
B |
-x+1,y,-z+3/2 |
3_656 |
4 |
1 |
4693 |
32.6 |
-3.6 |
0.872 |
1 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[MG]A:103 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
4693 |
27.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[MG]A:103 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
4691 |
25.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[MG]B:112 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
4693 |
25.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[SO4]B:101 |
4 |
1 |
188 |
f |
[SO4]A:106 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
188 |
22.9 |
-5.1 |
0.894 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[MG]A:105 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
4691 |
22.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 33 |
34 |
|
[SO4]B:101 |
3 |
1 |
188 |
◊ |
[MG]A:108 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
98 |
21.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[MG]B:112 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
4691 |
21.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 35 |
36 |
|
[SO4]A:104 |
3 |
1 |
188 |
◊ |
A |
-x+2,y,-z+3/2 |
3_756 |
6 |
2 |
4691 |
17.8 |
-2.0 |
0.859 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[SO4]B:109 |
1 |
1 |
188 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
2 |
2 |
4691 |
17.0 |
-3.0 |
0.506 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[SO4]B:102 |
1 |
1 |
188 |
◊ |
[MG]A:103 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[SO4]A:106 |
1 |
1 |
188 |
◊ |
[MG]A:108 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
12.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[SO4]B:101 |
3 |
1 |
188 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
2 |
2 |
4691 |
16.1 |
-2.2 |
0.627 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[MG]B:112 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
4691 |
14.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
B |
2 |
2 |
4693 |
◊ |
[SO4]A:106 |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
188 |
14.4 |
-2.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
B |
4 |
1 |
4693 |
◊ |
[MG]A:108 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
98 |
14.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[NA]B:111 |
1 |
1 |
125 |
◊ |
[SO4]A:104 |
-x+1,y,-z+3/2 |
3_656 |
1 |
1 |
188 |
12.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.005 |
| 43 |
45 |
|
[NA]B:111 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
4691 |
8.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[NA]A:107 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4693 |
6.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
A |
1 |
1 |
4691 |
x |
A |
x-1/2,-y+3/2,-z+1 |
8_466 |
1 |
1 |
4691 |
3.7 |
-0.3 |
0.279 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
B |
1 |
1 |
4693 |
f |
[MG]A:113 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 47 |
49 |
|
[NA]B:111 |
1 |
1 |
125 |
◊ |
A |
-x+1,y,-z+3/2 |
3_656 |
1 |
1 |
4691 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|