## |
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 |
|
C |
229 |
71 |
20883 |
◊ |
B |
x,y,z |
1_555 |
220 |
70 |
20554 |
2132.4 |
-15.7 |
0.369 |
26 |
2 |
0 |
0.263 |
2 |
|
C |
217 |
71 |
20883 |
◊ |
A |
x,y,z |
1_555 |
226 |
68 |
20636 |
2041.8 |
-15.3 |
0.369 |
24 |
3 |
0 |
0.263 |
3 |
|
B |
226 |
70 |
20554 |
◊ |
A |
x,y,z |
1_555 |
210 |
66 |
20636 |
1967.3 |
-14.8 |
0.397 |
25 |
1 |
0 |
0.263 |
Average: |
2047.2 |
-15.3 |
0.378 |
25 |
2 |
0 |
0.263 |
2 |
4 |
|
B |
77 |
30 |
20554 |
x |
C |
-y-1/2,x+1/2,z+1/4 |
3_455 |
67 |
19 |
20883 |
679.3 |
-3.0 |
0.576 |
7 |
1 |
0 |
0.000 |
5 |
|
A |
61 |
18 |
20636 |
x |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
66 |
26 |
20636 |
601.0 |
-2.8 |
0.544 |
6 |
1 |
0 |
0.000 |
Average: |
640.2 |
-2.9 |
0.560 |
7 |
1 |
0 |
0.000 |
3 |
6 |
|
C |
69 |
27 |
20883 |
◊ |
B |
y,x,-z |
7_555 |
65 |
20 |
20554 |
605.3 |
-3.2 |
0.551 |
7 |
2 |
0 |
0.039 |
4 |
7 |
|
A |
39 |
12 |
20636 |
◊ |
C |
-y-1/2,x+1/2,z+1/4 |
3_455 |
36 |
11 |
20883 |
329.4 |
-1.3 |
0.613 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
[NHE]B:608 |
13 |
1 |
373 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20554 |
198.1 |
4.3 |
0.235 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[NHE]A:609 |
12 |
1 |
371 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
20636 |
190.4 |
4.6 |
0.357 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[NHE]C:606 |
12 |
1 |
372 |
f |
C |
x,y,z |
1_555 |
28 |
8 |
20883 |
189.8 |
2.9 |
0.152 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
19 |
9 |
20554 |
◊ |
B |
y,x,-z |
7_555 |
19 |
9 |
20554 |
155.7 |
0.9 |
0.791 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
C |
14 |
7 |
20883 |
◊ |
C |
y,x,-z |
7_555 |
14 |
7 |
20883 |
144.8 |
-1.1 |
0.461 |
0 |
0 |
0 |
0.002 |
10 |
13 |
|
[NHE]A:610 |
12 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
22 |
5 |
20636 |
141.6 |
2.8 |
0.131 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[NHE]C:607 |
12 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
22 |
5 |
20883 |
136.8 |
2.5 |
0.067 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[NHE]B:609 |
12 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
20554 |
132.6 |
2.0 |
0.076 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[NAG]A:601 |
8 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
14 |
4 |
20636 |
111.0 |
3.8 |
0.611 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20554 |
108.7 |
-15.7 |
0.697 |
3 |
0 |
0 |
0.102 |
15 |
18 |
|
[SO4]A:603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20636 |
106.4 |
-14.9 |
0.723 |
3 |
0 |
0 |
0.053 |
16 |
19 |
|
[SO4]C:602 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
20883 |
103.0 |
-14.7 |
0.734 |
3 |
0 |
0 |
0.096 |
17 |
20 |
|
[SO4]B:602 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
20554 |
87.6 |
-12.5 |
0.850 |
3 |
0 |
0 |
0.083 |
18 |
21 |
|
[SO4]A:605 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20636 |
86.5 |
-11.7 |
0.868 |
4 |
0 |
0 |
0.044 |
19 |
22 |
|
[SO4]C:604 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
20883 |
84.5 |
-11.4 |
0.876 |
5 |
0 |
0 |
0.082 |
20 |
23 |
|
[SO4]C:601 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
20883 |
82.3 |
-11.9 |
0.845 |
3 |
0 |
0 |
0.080 |
21 |
24 |
|
[SO4]A:602 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
20636 |
81.0 |
-11.2 |
0.854 |
4 |
0 |
0 |
0.043 |
22 |
25 |
|
[SO4]B:601 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
20554 |
80.3 |
-11.1 |
0.852 |
4 |
0 |
0 |
0.077 |
23 |
26 |
|
[SO4]B:605 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
20554 |
79.7 |
-10.5 |
0.912 |
4 |
0 |
0 |
0.074 |
24 |
27 |
|
B |
9 |
5 |
20554 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
9 |
5 |
20636 |
79.2 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[SO4]C:603 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
20883 |
77.8 |
-9.5 |
0.912 |
3 |
0 |
0 |
0.065 |
26 |
29 |
|
[SO4]A:604 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20636 |
77.3 |
-9.5 |
0.926 |
2 |
0 |
0 |
0.034 |
27 |
30 |
|
[SO4]B:607 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
20554 |
68.9 |
-9.2 |
0.811 |
2 |
0 |
0 |
0.060 |
28 |
31 |
|
[SO4]A:608 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
20636 |
64.2 |
-9.0 |
0.745 |
1 |
0 |
0 |
0.031 |
29 |
32 |
|
B |
8 |
4 |
20554 |
◊ |
[SO4]C:603 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
4 |
1 |
184 |
60.4 |
-7.9 |
0.588 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
[SO4]A:604 |
4 |
1 |
183 |
◊ |
A |
-y-1/2,x+1/2,z+1/4 |
3_455 |
9 |
5 |
20636 |
59.9 |
-7.7 |
0.669 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[SO4]B:606 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20554 |
56.3 |
-7.9 |
0.716 |
1 |
0 |
0 |
0.050 |
32 |
35 |
|
[NHE]C:607 |
7 |
1 |
356 |
◊ |
[NHE]B:609 |
x,y,z |
1_555 |
5 |
1 |
363 |
55.1 |
2.8 |
0.036 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[SO4]B:604 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
20554 |
54.6 |
-6.6 |
0.760 |
1 |
0 |
0 |
0.042 |
34 |
37 |
|
[SO4]C:605 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
20883 |
54.0 |
-7.5 |
0.692 |
1 |
0 |
0 |
0.048 |
35 |
38 |
|
[NHE]B:609 |
5 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
20883 |
52.8 |
1.2 |
0.187 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[NHE]C:607 |
3 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20636 |
51.7 |
1.2 |
0.345 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[SO4]B:605 |
4 |
1 |
184 |
◊ |
C |
y,x,-z |
7_555 |
5 |
3 |
20883 |
51.1 |
-6.3 |
0.420 |
0 |
0 |
0 |
0.038 |
38 |
41 |
|
[NHE]A:610 |
4 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
20554 |
50.4 |
1.2 |
0.252 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[NHE]A:609 |
6 |
1 |
371 |
f |
[NAG]A:601 |
x,y,z |
1_555 |
5 |
1 |
356 |
49.2 |
2.2 |
0.095 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[NHE]B:609 |
6 |
1 |
363 |
◊ |
[NHE]A:610 |
x,y,z |
1_555 |
8 |
1 |
362 |
47.6 |
2.3 |
0.023 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[NHE]C:607 |
5 |
1 |
356 |
◊ |
[NHE]A:610 |
x,y,z |
1_555 |
6 |
1 |
362 |
47.1 |
1.8 |
0.031 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[SO4]A:606 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
20636 |
45.9 |
-5.6 |
0.738 |
0 |
0 |
0 |
0.019 |
43 |
46 |
|
[SO4]A:607 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
20883 |
45.6 |
-4.9 |
0.909 |
1 |
0 |
0 |
0.032 |
44 |
47 |
|
[SO4]A:607 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20636 |
43.6 |
-4.6 |
0.951 |
1 |
0 |
0 |
0.016 |
45 |
48 |
|
[SO4]A:607 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20554 |
39.5 |
-3.7 |
0.941 |
1 |
0 |
0 |
0.014 |
46 |
49 |
|
[NHE]A:610 |
5 |
1 |
362 |
f |
[SO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.8 |
-3.4 |
0.280 |
0 |
0 |
0 |
0.011 |
47 |
50 |
|
[NHE]B:609 |
4 |
1 |
363 |
f |
[SO4]B:601 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.5 |
-3.9 |
0.259 |
1 |
0 |
0 |
0.026 |
48 |
51 |
|
[NHE]C:607 |
4 |
1 |
356 |
f |
[SO4]C:601 |
x,y,z |
1_555 |
3 |
1 |
185 |
30.0 |
-3.2 |
0.210 |
0 |
0 |
0 |
0.019 |
49 |
52 |
|
[SO4]B:601 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20883 |
24.9 |
-3.4 |
0.630 |
0 |
0 |
0 |
0.011 |
50 |
53 |
|
[SO4]C:601 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20636 |
24.4 |
-3.3 |
0.633 |
0 |
0 |
0 |
0.011 |
51 |
54 |
|
[SO4]A:602 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20554 |
24.0 |
-3.3 |
0.646 |
0 |
0 |
0 |
0.011 |
52 |
55 |
|
[SO4]C:605 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20636 |
21.6 |
-2.0 |
0.892 |
0 |
0 |
0 |
0.007 |
53 |
56 |
|
[SO4]B:607 |
4 |
1 |
185 |
f |
[SO4]B:605 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.3 |
-4.5 |
0.995 |
0 |
0 |
0 |
0.027 |
54 |
57 |
|
A |
2 |
2 |
20636 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
2 |
2 |
20636 |
12.7 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[SO4]B:605 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20883 |
11.8 |
-1.4 |
0.844 |
0 |
0 |
0 |
0.004 |
56 |
59 |
|
B |
1 |
1 |
20554 |
◊ |
[SO4]C:602 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
2 |
1 |
185 |
7.1 |
-0.8 |
0.885 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[NHE]B:609 |
1 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20636 |
6.8 |
0.1 |
0.238 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[SO4]B:607 |
1 |
1 |
185 |
◊ |
C |
y,x,-z |
7_555 |
1 |
1 |
20883 |
5.7 |
-0.8 |
0.493 |
0 |
0 |
0 |
0.005 |
59 |
62 |
|
[SO4]B:603 |
1 |
1 |
185 |
◊ |
C |
y,x,-z |
7_555 |
1 |
1 |
20883 |
5.6 |
-0.6 |
0.795 |
0 |
0 |
0 |
0.004 |
60 |
63 |
|
[NHE]A:610 |
1 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
20883 |
0.8 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
[NHE]C:607 |
1 |
1 |
356 |
◊ |
[SO4]B:601 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.3 |
-0.0 |
0.392 |
0 |
0 |
0 |
0.000 |
|