## |
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 |
643 |
160 |
18697 |
x |
B |
-y,x-y,z |
2_555 |
628 |
166 |
18697 |
6004.7 |
-48.9 |
0.645 |
61 |
7 |
0 |
0.565 |
2 |
|
A |
633 |
169 |
18716 |
x |
A |
-y,x-y,z |
2_555 |
648 |
164 |
18716 |
5978.2 |
-47.6 |
0.625 |
58 |
7 |
0 |
0.565 |
Average: |
5991.5 |
-48.3 |
0.635 |
60 |
7 |
0 |
0.565 |
2 |
3 |
|
A |
31 |
10 |
18716 |
◊ |
A |
-x-2/3,-x+y-1/3,-z+2/3 |
18_445 |
31 |
10 |
18716 |
269.5 |
-0.6 |
0.719 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
26 |
9 |
18716 |
◊ |
B |
y-1/3,x-2/3,-z+1/3 |
10_445 |
28 |
13 |
18697 |
224.5 |
-1.8 |
0.575 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
24 |
7 |
18716 |
◊ |
B |
-y,x-y,z |
2_555 |
27 |
6 |
18697 |
220.3 |
-1.3 |
0.582 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
16 |
4 |
18716 |
◊ |
A |
x-y+1/3,-y+2/3,-z+2/3 |
17_555 |
16 |
4 |
18716 |
145.6 |
0.4 |
0.765 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
12 |
5 |
18716 |
◊ |
B |
x-1/3,y+1/3,z+1/3 |
7_455 |
13 |
5 |
18697 |
130.3 |
0.9 |
0.808 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[PEG]A:1229 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
18716 |
104.6 |
2.2 |
0.291 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[PEG]A:1226 |
6 |
1 |
250 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
18716 |
102.3 |
2.8 |
0.385 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
14 |
5 |
18716 |
f |
[PEG]A:1226 |
-y,x-y,z |
2_555 |
7 |
1 |
250 |
96.8 |
1.3 |
0.216 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
13 |
4 |
18716 |
f |
[SO4]A:1218 |
-y,x-y,z |
2_555 |
5 |
1 |
185 |
94.6 |
-13.2 |
0.817 |
2 |
0 |
0 |
0.101 |
11 |
12 |
|
[GOL]B:1221 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
18697 |
89.5 |
-0.2 |
0.576 |
2 |
0 |
0 |
0.008 |
12 |
13 |
|
[PEG]A:1225 |
6 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
18716 |
85.8 |
2.0 |
0.328 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
B |
11 |
5 |
18697 |
◊ |
A |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
9 |
2 |
18716 |
85.2 |
-1.0 |
0.471 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[SO4]B:1218 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
18697 |
84.3 |
-10.7 |
0.825 |
2 |
0 |
0 |
0.085 |
15 |
16 |
|
B |
11 |
5 |
18697 |
◊ |
[PEG]A:1227 |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
6 |
1 |
246 |
80.9 |
2.9 |
0.355 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[PEG]A:1228 |
5 |
1 |
255 |
◊ |
A |
-y,x-y,z |
2_555 |
13 |
3 |
18716 |
80.6 |
0.6 |
0.234 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[SO4]A:1219 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18716 |
80.2 |
-11.1 |
0.895 |
3 |
0 |
0 |
0.089 |
18 |
19 |
|
[SO4]B:1219 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
18697 |
79.4 |
-10.9 |
0.898 |
3 |
0 |
0 |
0.090 |
19 |
20 |
|
[GOL]B:1222 |
5 |
1 |
219 |
◊ |
B |
-y,x-y,z |
2_555 |
12 |
4 |
18697 |
68.9 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.002 |
20 |
21 |
|
[SO4]A:1220 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18716 |
66.0 |
-7.3 |
0.955 |
2 |
0 |
0 |
0.059 |
21 |
22 |
|
[PEG]A:1228 |
6 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
18716 |
62.8 |
0.8 |
0.180 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
B |
8 |
3 |
18697 |
◊ |
A |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
8 |
3 |
18716 |
62.7 |
-0.4 |
0.615 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
A |
9 |
3 |
18716 |
f |
[PEG]A:1225 |
-y,x-y,z |
2_555 |
5 |
1 |
252 |
62.3 |
1.7 |
0.331 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
B |
9 |
2 |
18697 |
◊ |
[GOL]B:1222 |
-y,x-y,z |
2_555 |
5 |
1 |
219 |
60.3 |
-0.9 |
0.431 |
0 |
0 |
0 |
0.006 |
25 |
26 |
|
A |
6 |
2 |
18716 |
◊ |
[GOL]B:1221 |
y-1/3,x-2/3,-z+1/3 |
10_445 |
4 |
1 |
218 |
55.4 |
-0.6 |
0.446 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
B |
10 |
6 |
18697 |
◊ |
A |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
10 |
4 |
18716 |
55.4 |
-0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[NA]A:1221 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18716 |
53.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.051 |
28 |
29 |
|
[NA]B:1220 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
18697 |
52.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.049 |
29 |
30 |
|
[SO4]A:1220 |
3 |
1 |
185 |
◊ |
A |
-x-2/3,-x+y-1/3,-z+2/3 |
18_445 |
7 |
4 |
18716 |
51.4 |
-5.9 |
0.871 |
0 |
0 |
0 |
0.010 |
30 |
31 |
|
[PEG]A:1227 |
5 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
18716 |
50.8 |
1.2 |
0.229 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[NA]A:1222 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
18716 |
48.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.044 |
32 |
33 |
|
B |
8 |
3 |
18697 |
◊ |
[NA]B:1220 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
47.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.034 |
33 |
34 |
|
A |
8 |
3 |
18716 |
x |
A |
x-y-2/3,-y-1/3,-z+2/3 |
17_445 |
5 |
3 |
18716 |
45.9 |
0.7 |
0.795 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[CL]A:1224 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
18716 |
44.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.038 |
35 |
36 |
|
[GOL]B:1222 |
4 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
18697 |
41.3 |
0.5 |
0.697 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[SO4]A:1218 |
4 |
1 |
185 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
2 |
18716 |
38.4 |
-4.8 |
0.808 |
1 |
0 |
0 |
0.037 |
37 |
38 |
|
[GOL]B:1222 |
4 |
1 |
219 |
f |
[SO4]B:1218 |
x,y,z |
1_555 |
4 |
1 |
185 |
36.7 |
-4.3 |
0.749 |
1 |
0 |
0 |
0.035 |
38 |
39 |
|
A |
6 |
2 |
18716 |
◊ |
[PEG]A:1228 |
-y,x-y,z |
2_555 |
4 |
1 |
255 |
35.9 |
0.3 |
0.231 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[NA]A:1223 |
1 |
1 |
125 |
f |
B |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
6 |
1 |
18697 |
34.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.025 |
40 |
41 |
|
[PEG]A:1227 |
4 |
1 |
246 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
1 |
18716 |
33.5 |
0.2 |
0.180 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[NA]A:1221 |
1 |
1 |
125 |
◊ |
A |
-y,x-y,z |
2_555 |
4 |
1 |
18716 |
32.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.026 |
42 |
43 |
|
[SO4]B:1218 |
4 |
1 |
185 |
◊ |
B |
-y,x-y,z |
2_555 |
3 |
2 |
18697 |
32.1 |
-3.9 |
0.803 |
1 |
0 |
0 |
0.032 |
43 |
44 |
|
B |
3 |
1 |
18697 |
x |
B |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
3 |
1 |
18697 |
30.7 |
-0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
[NA]A:1230 |
1 |
1 |
125 |
f |
A |
-y,x-y,z |
2_555 |
2 |
1 |
18716 |
30.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.019 |
45 |
46 |
|
B |
4 |
3 |
18697 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
18716 |
29.5 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
A |
2 |
1 |
18716 |
◊ |
[CL]A:1224 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
28.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.026 |
47 |
48 |
|
[NA]A:1223 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18716 |
28.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
A |
1 |
1 |
18716 |
◊ |
B |
x-y-1/3,-y+1/3,-z+1/3 |
11_455 |
2 |
1 |
18697 |
26.6 |
-0.7 |
0.182 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
B |
3 |
1 |
18697 |
◊ |
A |
y-1/3,x-2/3,-z+1/3 |
10_445 |
1 |
1 |
18716 |
25.5 |
-0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
B |
3 |
1 |
18697 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
1 |
18716 |
24.8 |
-0.8 |
0.237 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[CL]A:1224 |
1 |
1 |
125 |
◊ |
[PEG]A:1228 |
-y,x-y,z |
2_555 |
3 |
1 |
255 |
23.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[NA]A:1223 |
1 |
1 |
125 |
◊ |
B |
x-y-1/3,-y-2/3,-z+1/3 |
11_445 |
4 |
2 |
18697 |
23.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.021 |
53 |
54 |
|
[SO4]A:1218 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18716 |
21.5 |
-2.7 |
0.782 |
0 |
0 |
0 |
0.019 |
54 |
55 |
|
B |
1 |
1 |
18697 |
◊ |
B |
y-1/3,x+1/3,-z+1/3 |
10_455 |
1 |
1 |
18697 |
19.7 |
0.5 |
0.848 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[SO4]A:1219 |
4 |
1 |
184 |
◊ |
A |
-y,x-y,z |
2_555 |
5 |
2 |
18716 |
19.6 |
-2.4 |
0.825 |
0 |
0 |
0 |
0.017 |
56 |
57 |
|
B |
3 |
2 |
18697 |
◊ |
[SO4]B:1218 |
-y,x-y,z |
2_555 |
2 |
1 |
185 |
19.1 |
-2.2 |
0.784 |
0 |
0 |
0 |
0.016 |
57 |
58 |
|
B |
5 |
2 |
18697 |
◊ |
[SO4]B:1219 |
-y,x-y,z |
2_555 |
4 |
1 |
186 |
18.4 |
-2.3 |
0.819 |
0 |
0 |
0 |
0.017 |
58 |
59 |
|
[NA]A:1223 |
1 |
1 |
125 |
◊ |
B |
y-1/3,x-2/3,-z+1/3 |
10_445 |
4 |
3 |
18697 |
17.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
60 |
|
[NA]A:1223 |
1 |
1 |
125 |
◊ |
A |
-y,x-y,z |
2_555 |
2 |
2 |
18716 |
17.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
A |
2 |
2 |
18716 |
x |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
3 |
3 |
18716 |
12.0 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[NA]A:1222 |
1 |
1 |
125 |
◊ |
A |
-y,x-y,z |
2_555 |
1 |
1 |
18716 |
8.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
62 |
63 |
|
[PEG]A:1227 |
3 |
1 |
246 |
f |
[CL]A:1224 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
63 |
64 |
|
A |
1 |
1 |
18716 |
◊ |
[SO4]A:1219 |
-y,x-y,z |
2_555 |
1 |
1 |
184 |
6.7 |
-0.7 |
0.771 |
0 |
0 |
0 |
0.005 |
64 |
65 |
|
[SO4]B:1219 |
1 |
1 |
186 |
◊ |
B |
-y,x-y,z |
2_555 |
1 |
1 |
18697 |
6.6 |
-0.7 |
0.768 |
0 |
0 |
0 |
0.005 |
65 |
66 |
|
A |
1 |
1 |
18716 |
x |
A |
-x+1/3,-x+y-1/3,-z+2/3 |
18_545 |
2 |
2 |
18716 |
5.5 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
66 |
67 |
|
B |
1 |
1 |
18697 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
3 |
1 |
18716 |
4.9 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
67 |
68 |
|
[PEG]A:1228 |
1 |
1 |
255 |
f |
B |
-x+2/3,-x+y+1/3,-z+1/3 |
12_555 |
1 |
1 |
18697 |
4.7 |
-0.0 |
0.236 |
0 |
0 |
0 |
0.000 |
68 |
69 |
|
A |
1 |
1 |
18716 |
◊ |
B |
-x-1/3,-x+y-2/3,-z+1/3 |
12_445 |
1 |
1 |
18697 |
3.8 |
0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
69 |
70 |
|
[SO4]A:1220 |
1 |
1 |
185 |
◊ |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
1 |
1 |
18716 |
2.3 |
-0.3 |
0.803 |
0 |
0 |
0 |
0.000 |
70 |
71 |
|
A |
1 |
1 |
18716 |
◊ |
[SO4]A:1220 |
-y,x-y,z |
2_555 |
1 |
1 |
185 |
1.1 |
-0.1 |
0.792 |
0 |
0 |
0 |
0.000 |
|