## |
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 |
|
E |
135 |
40 |
16872 |
◊ |
B |
x,y,z |
1_555 |
136 |
42 |
18918 |
1300.7 |
-7.9 |
0.294 |
14 |
2 |
0 |
0.167 |
2 |
|
D |
133 |
41 |
16830 |
◊ |
A |
x,y,z |
1_555 |
137 |
43 |
18857 |
1300.5 |
-8.6 |
0.282 |
15 |
4 |
0 |
0.167 |
Average: |
1300.6 |
-8.2 |
0.288 |
15 |
3 |
0 |
0.167 |
2 |
3 |
|
B |
112 |
34 |
18918 |
◊ |
A |
x,y,z |
1_555 |
116 |
33 |
18857 |
1049.2 |
-4.1 |
0.583 |
20 |
0 |
0 |
0.123 |
3 |
4 |
|
E |
40 |
11 |
16872 |
◊ |
D |
-z,-x,y |
7_555 |
47 |
13 |
16830 |
426.9 |
1.2 |
0.702 |
5 |
3 |
0 |
0.000 |
5 |
|
E |
47 |
13 |
16872 |
◊ |
D |
-z,x,-y |
8_555 |
42 |
12 |
16830 |
423.8 |
1.2 |
0.679 |
7 |
2 |
0 |
0.000 |
Average: |
425.3 |
1.2 |
0.690 |
6 |
3 |
0 |
0.000 |
4 |
6 |
|
E |
33 |
12 |
16872 |
◊ |
D |
z-1,x,y |
5_455 |
33 |
12 |
16830 |
282.8 |
-3.7 |
0.245 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
30 |
15 |
18857 |
◊ |
E |
z-1/2,x+1/2,y+1/2 |
17_455 |
23 |
8 |
16872 |
251.7 |
3.4 |
0.884 |
1 |
3 |
0 |
0.000 |
8 |
|
D |
19 |
7 |
16830 |
◊ |
B |
z-1/2,x+1/2,y+1/2 |
17_455 |
29 |
13 |
18918 |
230.8 |
2.5 |
0.841 |
1 |
3 |
0 |
0.000 |
Average: |
241.2 |
2.9 |
0.863 |
1 |
3 |
0 |
0.000 |
6 |
9 |
|
D |
28 |
8 |
16830 |
◊ |
A |
z-1/2,-x-1/2,-y+1/2 |
18_445 |
22 |
6 |
18857 |
244.5 |
-2.7 |
0.287 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
20 |
6 |
18918 |
◊ |
E |
z-1/2,-x-1/2,-y+1/2 |
18_445 |
26 |
9 |
16872 |
228.5 |
-3.4 |
0.194 |
0 |
0 |
0 |
0.000 |
Average: |
236.5 |
-3.0 |
0.241 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[NAG]A:402 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
21 |
6 |
18857 |
142.7 |
4.1 |
0.456 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:403 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
23 |
8 |
18918 |
126.8 |
3.3 |
0.329 |
0 |
0 |
0 |
0.000 |
Average: |
134.7 |
3.7 |
0.393 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
[NAG]A:403 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
17 |
5 |
18857 |
127.1 |
2.5 |
0.267 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
[NAG]E:401 |
11 |
1 |
357 |
cf |
E |
x,y,z |
1_555 |
14 |
6 |
16872 |
116.7 |
3.1 |
0.293 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
[NAG]D:401 |
11 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
13 |
7 |
16830 |
111.1 |
3.0 |
0.255 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[NAG]B:402 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
18918 |
105.2 |
2.9 |
0.287 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]A:414 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
18857 |
91.1 |
-12.5 |
0.786 |
4 |
0 |
0 |
0.151 |
13 |
18 |
|
[SO4]B:414 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18918 |
81.8 |
-11.6 |
0.720 |
4 |
0 |
0 |
0.148 |
14 |
19 |
|
[CL]E:404 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
16872 |
74.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.103 |
20 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
16830 |
73.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
73.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.103 |
15 |
21 |
|
[NAG]A:401 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
18857 |
68.4 |
1.6 |
0.240 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
A |
6 |
2 |
18857 |
◊ |
B |
z-1/2,-x-1/2,-y+1/2 |
18_445 |
7 |
2 |
18918 |
68.3 |
-0.5 |
0.494 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[SO4]A:415 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
16830 |
66.3 |
-9.1 |
0.635 |
1 |
0 |
0 |
0.101 |
18 |
24 |
|
[SO4]B:415 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
16872 |
66.2 |
-9.2 |
0.617 |
0 |
0 |
0 |
0.102 |
19 |
25 |
|
[NAG]B:401 |
9 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
18918 |
65.5 |
1.5 |
0.241 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[CL]B:411 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18918 |
65.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.129 |
27 |
|
[CL]A:411 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
18857 |
61.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
63.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.129 |
21 |
28 |
|
[SO4]A:415 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
18857 |
63.7 |
-7.8 |
0.874 |
0 |
0 |
0 |
0.083 |
22 |
29 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
16830 |
62.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.081 |
30 |
|
[CL]E:402 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
16872 |
61.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
61.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.081 |
23 |
31 |
|
[CL]A:412 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
18857 |
62.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.132 |
32 |
|
[CL]B:412 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
18918 |
55.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
59.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.132 |
24 |
33 |
|
[SO4]B:415 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
18918 |
62.2 |
-7.0 |
0.870 |
1 |
0 |
0 |
0.082 |
25 |
34 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
18857 |
55.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.143 |
35 |
|
[NA]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18918 |
55.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
55.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.143 |
26 |
36 |
|
[CL]E:403 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
16872 |
54.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.074 |
37 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
16830 |
53.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
53.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.074 |
27 |
38 |
|
[CL]B:413 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
18918 |
54.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.120 |
39 |
|
[CL]A:413 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
18857 |
52.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
53.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.120 |
28 |
40 |
|
[CL]B:413 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
18857 |
33.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
41 |
|
[CL]A:413 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
18918 |
33.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
33.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
29 |
42 |
|
[NA]B:404 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18857 |
30.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.064 |
43 |
|
[NA]A:404 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18918 |
29.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
29.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.064 |
30 |
44 |
|
B |
5 |
2 |
18918 |
◊ |
[NAG]D:401 |
-z,x,-y |
8_555 |
4 |
1 |
356 |
27.5 |
0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[NAG]E:401 |
1 |
1 |
357 |
◊ |
D |
-z,-x,y |
7_555 |
1 |
1 |
16830 |
23.3 |
1.1 |
0.852 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[NAG]E:401 |
4 |
1 |
357 |
◊ |
A |
-z,-x,y |
7_555 |
4 |
1 |
18857 |
21.4 |
0.3 |
0.305 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[CL]A:413 |
1 |
1 |
125 |
f |
[NA]A:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.045 |
34 |
48 |
|
[CL]B:413 |
1 |
1 |
125 |
f |
[NA]B:404 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.045 |
35 |
49 |
|
E |
1 |
1 |
16872 |
◊ |
[NAG]D:401 |
-z,x,-y |
8_555 |
1 |
1 |
356 |
15.7 |
0.8 |
0.842 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
B |
2 |
1 |
18918 |
◊ |
A |
z-1/2,-x-1/2,-y+1/2 |
18_445 |
2 |
1 |
18857 |
10.0 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
A |
1 |
1 |
18857 |
◊ |
B |
z-1/2,x+1/2,y+1/2 |
17_455 |
1 |
1 |
18918 |
9.5 |
-0.3 |
0.244 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[SO4]A:414 |
2 |
1 |
184 |
◊ |
E |
z-1/2,x+1/2,y+1/2 |
17_455 |
4 |
1 |
16872 |
8.9 |
-1.2 |
0.698 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
D |
4 |
1 |
16830 |
◊ |
[SO4]B:414 |
z-1/2,x+1/2,y+1/2 |
17_455 |
2 |
1 |
185 |
6.8 |
-0.9 |
0.707 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[SO4]A:414 |
1 |
1 |
184 |
f |
[CL]A:412 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
41 |
55 |
|
A |
2 |
1 |
18857 |
◊ |
[CL]E:402 |
z-1/2,x+1/2,y+1/2 |
17_455 |
1 |
1 |
125 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[SO4]B:414 |
1 |
1 |
185 |
f |
[CL]B:412 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
43 |
57 |
|
[NAG]A:402 |
2 |
1 |
362 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16830 |
1.3 |
0.0 |
0.361 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[NAG]B:403 |
1 |
1 |
362 |
f |
[NAG]B:402 |
x,y,z |
1_555 |
1 |
1 |
362 |
0.4 |
0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
|