## |
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 |
220 |
69 |
21107 |
◊ |
A |
x,y,z |
1_555 |
219 |
67 |
20605 |
2083.3 |
-13.7 |
0.423 |
20 |
1 |
0 |
0.342 |
2 |
|
C |
214 |
70 |
21107 |
◊ |
B |
x,y,z |
1_555 |
224 |
71 |
20819 |
2046.1 |
-13.0 |
0.455 |
24 |
1 |
0 |
0.342 |
3 |
|
B |
211 |
68 |
20819 |
◊ |
A |
x,y,z |
1_555 |
214 |
70 |
20605 |
1960.8 |
-13.3 |
0.441 |
20 |
1 |
0 |
0.342 |
Average: |
2030.1 |
-13.3 |
0.440 |
21 |
1 |
0 |
0.342 |
2 |
4 |
|
A |
77 |
30 |
20605 |
x |
C |
-y-1/2,x+1/2,z+1/4 |
3_455 |
68 |
20 |
21107 |
670.9 |
-2.0 |
0.570 |
7 |
2 |
0 |
0.000 |
5 |
|
B |
59 |
19 |
20819 |
x |
B |
-y-1/2,x+1/2,z+1/4 |
3_455 |
64 |
25 |
20819 |
579.9 |
-2.7 |
0.542 |
7 |
2 |
0 |
0.000 |
6 |
|
C |
67 |
26 |
21107 |
x |
A |
y,x,-z |
7_555 |
60 |
19 |
20605 |
559.1 |
-2.1 |
0.549 |
6 |
2 |
0 |
0.000 |
Average: |
603.3 |
-2.3 |
0.554 |
7 |
2 |
0 |
0.000 |
3 |
7 |
|
B |
38 |
12 |
20819 |
◊ |
C |
-y-1/2,x+1/2,z+1/4 |
3_455 |
36 |
11 |
21107 |
321.1 |
-0.3 |
0.700 |
4 |
0 |
0 |
0.000 |
8 |
|
A |
24 |
10 |
20605 |
◊ |
A |
y,x,-z |
7_555 |
24 |
10 |
20605 |
182.5 |
1.9 |
0.866 |
2 |
0 |
0 |
0.000 |
Average: |
251.8 |
0.8 |
0.783 |
3 |
0 |
0 |
0.000 |
4 |
9 |
|
[NHE]C:607 |
13 |
1 |
373 |
f |
C |
x,y,z |
1_555 |
27 |
8 |
21107 |
203.6 |
4.4 |
0.263 |
2 |
0 |
0 |
0.000 |
10 |
|
[NHE]A:606 |
13 |
1 |
373 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
20605 |
200.6 |
4.4 |
0.241 |
1 |
0 |
0 |
0.000 |
Average: |
202.1 |
4.4 |
0.252 |
2 |
0 |
0 |
0.000 |
5 |
11 |
|
[NHE]B:607 |
13 |
1 |
372 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
20819 |
200.7 |
4.4 |
0.249 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
C |
16 |
7 |
21107 |
◊ |
C |
y,x,-z |
7_555 |
15 |
7 |
21107 |
134.8 |
-1.2 |
0.457 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
13 |
5 |
20605 |
◊ |
B |
-y-1/2,x+1/2,z+1/4 |
3_455 |
11 |
5 |
20819 |
88.7 |
-0.6 |
0.553 |
0 |
0 |
0 |
0.000 |
Average: |
111.8 |
-0.9 |
0.505 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
[NHE]C:606 |
12 |
1 |
367 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
21107 |
132.6 |
3.4 |
0.213 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
[NHE]A:605 |
11 |
1 |
367 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
20605 |
132.3 |
1.6 |
0.084 |
1 |
0 |
0 |
0.000 |
16 |
|
[NHE]B:606 |
11 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
20819 |
131.1 |
1.9 |
0.063 |
1 |
0 |
0 |
0.000 |
Average: |
131.7 |
1.8 |
0.074 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
[TAR]C:608 |
8 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
21107 |
119.5 |
1.2 |
0.499 |
4 |
0 |
0 |
0.003 |
10 |
18 |
|
B |
19 |
7 |
20819 |
cf |
[TAR]B:608 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
8 |
1 |
262 |
114.3 |
0.4 |
0.485 |
2 |
0 |
0 |
0.003 |
11 |
19 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20605 |
108.6 |
-16.0 |
0.700 |
2 |
0 |
0 |
0.084 |
12 |
20 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20819 |
106.3 |
-15.1 |
0.695 |
2 |
0 |
0 |
0.079 |
13 |
21 |
|
[SO4]C:603 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
21107 |
101.6 |
-14.0 |
0.693 |
2 |
0 |
0 |
0.074 |
14 |
22 |
|
[NAG]C:601 |
9 |
1 |
357 |
cf |
C |
x,y,z |
1_555 |
12 |
3 |
21107 |
96.0 |
2.0 |
0.321 |
0 |
0 |
0 |
0.000 |
23 |
|
[NAG]B:601 |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
11 |
3 |
20819 |
92.2 |
2.2 |
0.297 |
0 |
0 |
0 |
0.000 |
Average: |
94.1 |
2.1 |
0.309 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[NAG]A:601 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
20605 |
95.4 |
2.1 |
0.277 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[TAR]B:608 |
8 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
20819 |
91.9 |
-1.0 |
0.310 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
20605 |
90.5 |
-12.1 |
0.885 |
3 |
0 |
0 |
0.067 |
18 |
27 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
20819 |
88.0 |
-11.9 |
0.896 |
5 |
0 |
0 |
0.070 |
19 |
28 |
|
[SO4]C:604 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
21107 |
87.5 |
-11.9 |
0.860 |
2 |
0 |
0 |
0.063 |
20 |
29 |
|
[SO4]C:602 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
21107 |
85.6 |
-12.3 |
0.870 |
3 |
0 |
0 |
0.068 |
21 |
30 |
|
[SO4]A:602 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
20605 |
84.6 |
-11.6 |
0.871 |
4 |
0 |
0 |
0.067 |
22 |
31 |
|
A |
9 |
4 |
20605 |
◊ |
[TAR]C:608 |
-y-1/2,x+1/2,z+1/4 |
3_455 |
8 |
1 |
260 |
82.6 |
0.6 |
0.413 |
1 |
0 |
0 |
0.000 |
23 |
32 |
|
[SO4]B:604 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20819 |
80.4 |
-11.0 |
0.861 |
3 |
0 |
0 |
0.061 |
24 |
33 |
|
[SO4]C:605 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
21107 |
63.4 |
-9.2 |
0.606 |
0 |
0 |
0 |
0.046 |
25 |
34 |
|
[NHE]B:606 |
5 |
1 |
361 |
◊ |
[NHE]A:605 |
x,y,z |
1_555 |
8 |
1 |
367 |
60.0 |
3.2 |
0.048 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[NHE]C:606 |
8 |
1 |
367 |
◊ |
[NHE]A:605 |
x,y,z |
1_555 |
5 |
1 |
367 |
57.6 |
3.1 |
0.069 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[NHE]C:606 |
5 |
1 |
367 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
20819 |
53.9 |
0.7 |
0.182 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[NHE]C:606 |
4 |
1 |
367 |
◊ |
[NHE]B:606 |
x,y,z |
1_555 |
7 |
1 |
361 |
53.5 |
1.8 |
0.027 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[NHE]B:606 |
5 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
20605 |
50.1 |
1.1 |
0.203 |
0 |
0 |
0 |
0.000 |
39 |
|
[NHE]A:605 |
5 |
1 |
367 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
21107 |
49.6 |
1.0 |
0.221 |
0 |
0 |
0 |
0.000 |
Average: |
49.8 |
1.0 |
0.212 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[NHE]B:607 |
7 |
1 |
372 |
f |
[SO4]B:605 |
x,y,z |
1_555 |
4 |
1 |
184 |
48.5 |
-5.6 |
0.089 |
2 |
0 |
0 |
0.032 |
31 |
41 |
|
[NHE]A:605 |
4 |
1 |
367 |
f |
[SO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
185 |
37.3 |
-4.0 |
0.287 |
1 |
0 |
0 |
0.022 |
32 |
42 |
|
[NHE]C:606 |
5 |
1 |
367 |
f |
[SO4]C:602 |
x,y,z |
1_555 |
3 |
1 |
184 |
36.2 |
-3.9 |
0.241 |
0 |
0 |
0 |
0.019 |
33 |
43 |
|
[NHE]B:607 |
4 |
1 |
372 |
f |
[NAG]B:601 |
x,y,z |
1_555 |
2 |
1 |
359 |
34.6 |
0.7 |
0.099 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[SO4]B:605 |
3 |
1 |
184 |
f |
[NAG]B:601 |
x,y,z |
1_555 |
4 |
1 |
359 |
31.5 |
-3.7 |
0.466 |
1 |
0 |
0 |
0.021 |
35 |
45 |
|
[NHE]B:606 |
4 |
1 |
361 |
f |
[SO4]B:602 |
x,y,z |
1_555 |
2 |
1 |
185 |
31.1 |
-3.7 |
0.176 |
1 |
0 |
0 |
0.020 |
36 |
46 |
|
[NHE]A:606 |
4 |
1 |
373 |
f |
[NAG]A:601 |
x,y,z |
1_555 |
2 |
1 |
359 |
30.9 |
0.7 |
0.095 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[NHE]C:607 |
2 |
1 |
373 |
f |
[NAG]C:601 |
x,y,z |
1_555 |
2 |
1 |
357 |
27.4 |
0.3 |
0.124 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
B |
2 |
1 |
20819 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
2 |
1 |
20819 |
19.7 |
1.4 |
0.960 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
A |
4 |
2 |
20605 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
3 |
2 |
20605 |
19.2 |
0.5 |
0.802 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[SO4]B:602 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20605 |
17.5 |
-2.4 |
0.684 |
0 |
0 |
0 |
0.012 |
41 |
51 |
|
[SO4]C:602 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20819 |
17.3 |
-2.4 |
0.683 |
0 |
0 |
0 |
0.012 |
42 |
52 |
|
[SO4]A:602 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
21107 |
16.3 |
-2.2 |
0.644 |
0 |
0 |
0 |
0.011 |
43 |
53 |
|
[NHE]A:605 |
1 |
1 |
367 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20819 |
4.1 |
0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
54 |
|
[NHE]B:606 |
1 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21107 |
2.8 |
0.1 |
0.288 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
0.1 |
0.312 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
C |
1 |
1 |
21107 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
20819 |
3.7 |
-0.1 |
0.387 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
[SO4]B:605 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20819 |
0.4 |
-0.1 |
0.825 |
0 |
0 |
0 |
0.000 |
|