## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
L |
210 |
58 |
11378 |
◊ |
H |
x,y,z |
1_555 |
197 |
56 |
11650 |
1822.4 |
-25.1 |
0.064 |
10 |
0 |
0 |
1.000 |
2 |
|
B |
177 |
51 |
11266 |
◊ |
A |
x,y,z |
1_555 |
165 |
47 |
10832 |
1540.8 |
-24.1 |
0.032 |
13 |
2 |
0 |
0.145 |
3 |
|
A |
77 |
23 |
10832 |
◊ |
E |
x,y,z |
1_555 |
69 |
22 |
10153 |
673.5 |
0.8 |
0.884 |
17 |
0 |
0 |
0.030 |
4 |
|
E |
63 |
21 |
10153 |
◊ |
H |
x,y,z |
1_555 |
64 |
18 |
11650 |
563.7 |
-3.1 |
0.525 |
7 |
0 |
0 |
0.092 |
5 |
|
E |
61 |
18 |
10153 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
54 |
18 |
11266 |
553.4 |
0.0 |
0.650 |
7 |
0 |
0 |
0.012 |
6 |
|
B |
44 |
14 |
11266 |
◊ |
E |
x,y,z |
1_555 |
49 |
16 |
10153 |
385.2 |
-1.1 |
0.378 |
3 |
0 |
0 |
0.014 |
7 |
|
E |
50 |
15 |
10153 |
◊ |
L |
x,y,z |
1_555 |
38 |
12 |
11378 |
379.9 |
-3.7 |
0.352 |
9 |
0 |
0 |
0.115 |
8 |
|
A |
46 |
16 |
10832 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
12 |
11266 |
379.4 |
2.0 |
0.841 |
12 |
3 |
0 |
0.020 |
9 |
|
A |
31 |
10 |
10832 |
◊ |
E |
x-1,y,z |
1_455 |
26 |
7 |
10153 |
247.1 |
-2.1 |
0.487 |
2 |
0 |
0 |
0.012 |
10 |
|
L |
29 |
11 |
11378 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
25 |
9 |
10153 |
242.5 |
-1.8 |
0.439 |
5 |
0 |
0 |
0.000 |
11 |
|
L |
27 |
11 |
11378 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
32 |
9 |
11650 |
222.2 |
-1.5 |
0.565 |
3 |
0 |
0 |
0.000 |
12 |
|
[CIT]A:1202 |
12 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
10832 |
169.8 |
1.1 |
0.548 |
5 |
0 |
0 |
0.006 |
13 |
|
[NAG]E:901 |
12 |
1 |
355 |
cf |
E |
x,y,z |
1_555 |
19 |
10 |
10153 |
137.8 |
2.8 |
0.312 |
1 |
0 |
0 |
0.000 |
14 |
|
[PEG]E:903 |
7 |
1 |
258 |
f |
E |
x,y,z |
1_555 |
23 |
9 |
10153 |
131.5 |
3.0 |
0.389 |
3 |
0 |
0 |
0.000 |
15 |
|
[GOL]E:902 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
22 |
9 |
10153 |
118.2 |
-0.7 |
0.521 |
3 |
0 |
0 |
0.030 |
16 |
|
A |
19 |
9 |
10832 |
◊ |
L |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
3 |
11378 |
113.2 |
-0.5 |
0.634 |
0 |
0 |
0 |
0.000 |
17 |
|
[PEG]A:1203 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
10832 |
107.3 |
2.1 |
0.287 |
2 |
0 |
0 |
0.000 |
18 |
|
[SO4]B:306 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
11266 |
103.4 |
-14.4 |
0.860 |
4 |
0 |
0 |
0.092 |
19 |
|
[PEG]A:1206 |
7 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
11266 |
99.7 |
2.3 |
0.282 |
1 |
0 |
0 |
0.000 |
20 |
|
[PEG]A:1204 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
10832 |
98.4 |
2.0 |
0.343 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
8 |
2 |
11266 |
x |
B |
x-1,y,z |
1_455 |
13 |
6 |
11266 |
97.1 |
-0.7 |
0.448 |
0 |
0 |
0 |
0.000 |
22 |
|
[SO4]B:309 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11266 |
93.9 |
-11.0 |
0.921 |
3 |
0 |
0 |
0.070 |
23 |
|
[SO4]B:312 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11266 |
89.9 |
-12.7 |
0.813 |
4 |
0 |
0 |
0.083 |
24 |
|
[SO4]B:308 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11266 |
89.7 |
-13.0 |
0.681 |
1 |
0 |
0 |
0.077 |
25 |
|
[CIT]A:1202 |
8 |
1 |
313 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
4 |
10153 |
89.5 |
-0.8 |
0.173 |
0 |
0 |
0 |
0.003 |
26 |
|
[PEG]A:1203 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11266 |
88.5 |
1.2 |
0.176 |
0 |
0 |
0 |
0.000 |
27 |
|
[GOL]A:1201 |
6 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
10153 |
87.8 |
1.0 |
0.774 |
1 |
0 |
0 |
0.000 |
28 |
|
[GOL]A:1205 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
11266 |
85.8 |
-0.8 |
0.431 |
2 |
0 |
0 |
0.009 |
29 |
|
[SO4]A:1211 |
5 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
13 |
4 |
11266 |
77.5 |
-9.8 |
0.888 |
2 |
0 |
0 |
0.061 |
30 |
|
[SO4]B:310 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11266 |
76.8 |
-9.1 |
0.903 |
3 |
0 |
0 |
0.059 |
31 |
|
[PEG]A:1206 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10832 |
76.1 |
2.0 |
0.278 |
2 |
0 |
0 |
0.000 |
32 |
|
[CL]A:1207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
10832 |
70.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.060 |
33 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11266 |
69.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.063 |
34 |
|
[SO4]E:905 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
10153 |
68.5 |
-7.7 |
0.924 |
2 |
0 |
0 |
0.127 |
35 |
|
[CL]A:1208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10832 |
67.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.062 |
36 |
|
[SO4]E:904 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
10153 |
67.9 |
-8.4 |
0.940 |
1 |
0 |
0 |
0.132 |
37 |
|
[SO4]B:311 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11266 |
67.3 |
-9.7 |
0.642 |
2 |
0 |
0 |
0.060 |
38 |
|
[SO4]B:305 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
10153 |
64.9 |
-8.3 |
0.799 |
1 |
0 |
0 |
0.129 |
39 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11266 |
64.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.054 |
40 |
|
[SO4]A:1210 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
10832 |
63.5 |
-8.6 |
0.846 |
2 |
0 |
0 |
0.050 |
41 |
|
[GOL]A:1201 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10832 |
63.5 |
-0.6 |
0.510 |
2 |
0 |
0 |
0.008 |
42 |
|
[CL]A:1209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10832 |
62.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.044 |
43 |
|
[SO4]B:307 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11266 |
60.3 |
-8.8 |
0.685 |
2 |
0 |
0 |
0.055 |
44 |
|
[GOL]A:1205 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
10832 |
57.4 |
-0.7 |
0.498 |
0 |
0 |
0 |
0.003 |
45 |
|
[SO4]B:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
11266 |
56.2 |
-7.2 |
0.693 |
2 |
0 |
0 |
0.046 |
46 |
|
B |
8 |
5 |
11266 |
◊ |
L |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
11378 |
53.0 |
2.0 |
0.865 |
1 |
2 |
0 |
0.000 |
47 |
|
[SO4]A:1211 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10832 |
51.3 |
-6.8 |
0.836 |
1 |
0 |
0 |
0.039 |
48 |
|
[SO4]E:905 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
4 |
11266 |
50.2 |
-5.6 |
0.892 |
2 |
0 |
0 |
0.026 |
49 |
|
[GOL]A:1201 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
11266 |
48.7 |
-0.9 |
0.379 |
0 |
0 |
0 |
0.004 |
50 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11266 |
45.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.033 |
51 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11266 |
45.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.034 |
52 |
|
[SO4]E:904 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
11266 |
44.6 |
-5.4 |
0.694 |
1 |
0 |
0 |
0.024 |
53 |
|
B |
7 |
1 |
11266 |
◊ |
[SO4]B:307 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
43.6 |
-4.1 |
0.935 |
2 |
0 |
0 |
0.000 |
54 |
|
[SO4]A:1210 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10153 |
39.0 |
-4.4 |
0.759 |
1 |
0 |
0 |
0.022 |
55 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
10153 |
35.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.021 |
56 |
|
A |
5 |
3 |
10832 |
◊ |
[SO4]B:310 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
33.2 |
-3.8 |
0.755 |
0 |
0 |
0 |
0.020 |
57 |
|
L |
3 |
2 |
11378 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
1 |
11650 |
32.3 |
0.9 |
0.755 |
0 |
0 |
0 |
0.000 |
58 |
|
[SO4]B:311 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10832 |
31.8 |
-4.1 |
0.513 |
0 |
0 |
0 |
0.020 |
59 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
10832 |
29.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.018 |
60 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
[SO4]B:305 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.033 |
61 |
|
A |
1 |
1 |
10832 |
◊ |
[SO4]B:305 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
27.6 |
-2.2 |
0.977 |
2 |
0 |
0 |
0.013 |
62 |
|
[SO4]B:306 |
3 |
1 |
184 |
◊ |
L |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
11378 |
26.8 |
-2.4 |
0.962 |
1 |
0 |
0 |
0.000 |
63 |
|
[PEG]A:1204 |
2 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11266 |
25.0 |
0.5 |
0.410 |
1 |
0 |
0 |
0.000 |
64 |
|
[PEG]A:1204 |
2 |
1 |
253 |
f |
[PEG]A:1203 |
x,y,z |
1_555 |
1 |
1 |
260 |
17.8 |
-0.5 |
0.121 |
1 |
0 |
0 |
0.005 |
65 |
|
[CL]A:1209 |
1 |
1 |
125 |
f |
[CL]A:1207 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
66 |
|
[GOL]A:1205 |
1 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10153 |
2.1 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
|