| ## |
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 |
|
H |
207 |
57 |
11594 |
◊ |
L |
x,y,z |
1_555 |
210 |
58 |
11258 |
1852.0 |
-24.8 |
0.052 |
18 |
3 |
0 |
0.580 |
2 |
|
B |
139 |
36 |
6680 |
◊ |
A |
x,y,z |
1_555 |
139 |
42 |
15863 |
1303.3 |
-9.3 |
0.140 |
20 |
4 |
0 |
0.290 |
3 |
|
C |
63 |
10 |
1445 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
15863 |
860.1 |
-6.6 |
0.383 |
15 |
0 |
0 |
0.234 |
4 |
|
H |
66 |
17 |
11594 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
15863 |
629.4 |
-0.6 |
0.549 |
5 |
0 |
0 |
0.026 |
5 |
|
A |
60 |
16 |
15863 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
51 |
15 |
6680 |
543.7 |
-3.1 |
0.309 |
6 |
0 |
0 |
0.000 |
6 |
|
L |
40 |
12 |
11258 |
x |
L |
-x,y-1/2,-z |
2_545 |
50 |
15 |
11258 |
417.4 |
-0.9 |
0.579 |
6 |
3 |
0 |
0.000 |
7 |
|
L |
40 |
11 |
11258 |
◊ |
H |
-x-1,y-1/2,-z |
2_445 |
44 |
15 |
11594 |
405.7 |
-1.7 |
0.566 |
5 |
0 |
0 |
0.000 |
8 |
|
L |
37 |
13 |
11258 |
◊ |
A |
x,y,z |
1_555 |
42 |
11 |
15863 |
323.5 |
-1.3 |
0.430 |
5 |
0 |
0 |
0.024 |
9 |
|
[NHE]A:304 |
13 |
1 |
354 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
15863 |
213.6 |
4.8 |
0.147 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
34 |
10 |
15863 |
x |
A |
x,y-1,z |
1_545 |
27 |
9 |
15863 |
210.8 |
-0.8 |
0.409 |
2 |
0 |
0 |
0.000 |
11 |
|
A |
26 |
10 |
15863 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
10 |
15863 |
190.4 |
1.5 |
0.636 |
0 |
0 |
0 |
0.000 |
12 |
|
H |
21 |
4 |
11594 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
1445 |
173.4 |
-1.8 |
0.539 |
2 |
0 |
0 |
0.024 |
13 |
|
H |
19 |
6 |
11594 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
19 |
4 |
15863 |
154.6 |
1.8 |
0.723 |
2 |
0 |
0 |
0.000 |
14 |
|
L |
13 |
4 |
11258 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
17 |
4 |
15863 |
151.4 |
-1.0 |
0.402 |
2 |
0 |
0 |
0.000 |
15 |
|
L |
21 |
8 |
11258 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
1445 |
139.3 |
-1.3 |
0.519 |
3 |
0 |
0 |
0.018 |
16 |
|
[PEG]B:501 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
15863 |
130.5 |
2.0 |
0.246 |
1 |
0 |
0 |
0.000 |
17 |
|
[PEG]A:301 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
15863 |
114.9 |
3.0 |
0.317 |
1 |
0 |
0 |
0.000 |
18 |
|
B |
13 |
5 |
6680 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
17 |
8 |
6680 |
114.8 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
19 |
|
[PEG]A:303 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
15863 |
111.6 |
4.2 |
0.416 |
0 |
0 |
0 |
0.000 |
20 |
|
[PEG]A:302 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
20 |
4 |
15863 |
110.7 |
3.8 |
0.376 |
0 |
0 |
0 |
0.000 |
21 |
|
[SO4]A:305 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
15863 |
107.7 |
-14.9 |
0.768 |
2 |
0 |
0 |
0.277 |
22 |
|
A |
13 |
6 |
15863 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
6680 |
96.8 |
-0.5 |
0.477 |
1 |
1 |
0 |
0.000 |
23 |
|
[PEG]L:301 |
7 |
1 |
262 |
◊ |
L |
x,y,z |
1_555 |
15 |
3 |
11258 |
94.3 |
2.2 |
0.283 |
1 |
0 |
0 |
0.000 |
24 |
|
H |
11 |
5 |
11594 |
◊ |
[PEG]L:302 |
-x-1,y-1/2,-z |
2_445 |
6 |
1 |
259 |
93.8 |
2.4 |
0.367 |
1 |
0 |
0 |
0.000 |
25 |
|
[SO4]A:306 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
15863 |
93.5 |
-13.0 |
0.714 |
0 |
0 |
0 |
0.230 |
26 |
|
A |
9 |
5 |
15863 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
6680 |
90.9 |
-1.4 |
0.252 |
0 |
0 |
0 |
0.000 |
27 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
6680 |
79.6 |
-11.3 |
0.750 |
2 |
0 |
0 |
0.188 |
28 |
|
[SO4]H:301 |
5 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11594 |
74.0 |
-10.4 |
0.705 |
1 |
0 |
0 |
0.189 |
29 |
|
L |
9 |
4 |
11258 |
f |
[PEG]A:302 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
260 |
67.8 |
1.0 |
0.248 |
0 |
0 |
0 |
0.000 |
30 |
|
[SO4]A:307 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15863 |
66.6 |
-9.1 |
0.718 |
0 |
0 |
0 |
0.160 |
31 |
|
[SO4]A:308 |
5 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11594 |
66.5 |
-8.9 |
0.721 |
0 |
0 |
0 |
0.156 |
32 |
|
[PEG]A:303 |
5 |
1 |
261 |
◊ |
A |
x,y-1,z |
1_545 |
15 |
5 |
15863 |
65.1 |
1.2 |
0.254 |
0 |
0 |
0 |
0.000 |
33 |
|
[NHE]A:304 |
5 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6680 |
60.8 |
1.6 |
0.249 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]H:302 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
11594 |
58.6 |
-7.2 |
0.831 |
0 |
0 |
0 |
0.125 |
35 |
|
[PEG]L:302 |
5 |
1 |
259 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
11258 |
56.5 |
1.6 |
0.327 |
0 |
0 |
0 |
0.000 |
36 |
|
[SO4]A:309 |
4 |
1 |
183 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
15863 |
51.4 |
-6.8 |
0.435 |
0 |
0 |
0 |
0.120 |
37 |
|
H |
8 |
3 |
11594 |
◊ |
L |
-x-1,y-1/2,-z |
2_445 |
9 |
5 |
11258 |
51.0 |
1.5 |
0.867 |
0 |
0 |
0 |
0.000 |
38 |
|
[SO4]A:307 |
4 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
11594 |
49.8 |
-6.7 |
0.722 |
0 |
0 |
0 |
0.061 |
39 |
|
[PEG]B:501 |
5 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6680 |
47.2 |
1.5 |
0.303 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]A:308 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15863 |
44.2 |
-3.9 |
0.968 |
3 |
0 |
0 |
0.048 |
41 |
|
[SO4]A:309 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15863 |
38.4 |
-4.5 |
0.739 |
0 |
0 |
0 |
0.000 |
42 |
|
[PEG]L:301 |
3 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15863 |
33.1 |
1.6 |
0.444 |
1 |
0 |
0 |
0.000 |
43 |
|
H |
4 |
1 |
11594 |
◊ |
L |
x,y-1,z |
1_545 |
3 |
2 |
11258 |
30.8 |
0.5 |
0.786 |
1 |
0 |
0 |
0.000 |
44 |
|
[SO4]A:305 |
3 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11594 |
28.8 |
-3.8 |
0.749 |
1 |
0 |
0 |
0.039 |
45 |
|
[PEG]A:303 |
2 |
1 |
261 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
11594 |
21.9 |
0.2 |
0.345 |
0 |
0 |
0 |
0.000 |
46 |
|
H |
5 |
3 |
11594 |
x |
H |
x,y-1,z |
1_545 |
1 |
1 |
11594 |
16.2 |
0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
47 |
|
[SO4]A:308 |
3 |
1 |
183 |
◊ |
[SO4]A:305 |
x,y,z |
1_555 |
3 |
1 |
183 |
15.5 |
-3.6 |
0.992 |
0 |
0 |
0 |
0.033 |
48 |
|
[SO4]H:301 |
1 |
1 |
183 |
◊ |
[SO4]A:307 |
x,y,z |
1_555 |
4 |
1 |
182 |
14.6 |
-3.2 |
0.894 |
0 |
0 |
0 |
0.029 |
49 |
|
[PEG]A:301 |
2 |
1 |
260 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
6680 |
10.2 |
0.5 |
0.408 |
0 |
0 |
0 |
0.000 |
50 |
|
[SO4]H:301 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15863 |
10.1 |
-0.9 |
0.915 |
0 |
0 |
0 |
0.009 |
51 |
|
[NHE]A:304 |
1 |
1 |
354 |
f |
[PEG]B:501 |
x,y,z |
1_555 |
2 |
1 |
258 |
6.6 |
0.2 |
0.137 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
4 |
2 |
11594 |
x |
H |
-x-1,y-1/2,-z |
2_445 |
2 |
2 |
11594 |
6.1 |
0.3 |
0.749 |
0 |
0 |
0 |
0.000 |
53 |
|
[PEG]L:302 |
2 |
1 |
259 |
f |
H |
x,y,z |
1_555 |
3 |
3 |
11594 |
4.5 |
-0.0 |
0.295 |
0 |
0 |
0 |
0.000 |
54 |
|
L |
3 |
1 |
11258 |
◊ |
[PEG]L:302 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
259 |
3.4 |
0.2 |
0.425 |
0 |
0 |
0 |
0.000 |
55 |
|
[PEG]A:301 |
1 |
1 |
260 |
f |
A |
x,y-1,z |
1_545 |
1 |
1 |
15863 |
1.7 |
0.0 |
0.352 |
0 |
0 |
0 |
0.000 |
56 |
|
[SO4]A:305 |
1 |
1 |
183 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11258 |
1.5 |
-0.2 |
0.696 |
0 |
0 |
0 |
0.002 |
|