## |
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 |
|
B |
247 |
70 |
33918 |
◊ |
A |
x,y,z |
1_555 |
241 |
71 |
33824 |
2173.5 |
-5.5 |
0.466 |
37 |
4 |
0 |
0.076 |
2 |
2 |
|
A |
122 |
29 |
33824 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
122 |
30 |
33918 |
1143.3 |
-19.8 |
0.003 |
6 |
0 |
0 |
0.081 |
3 |
3 |
|
A |
41 |
13 |
33824 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
14 |
33918 |
405.3 |
1.4 |
0.716 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
42 |
12 |
33918 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
41 |
10 |
33918 |
360.3 |
2.1 |
0.756 |
6 |
7 |
0 |
0.000 |
5 |
5 |
|
[23G]A:1011 |
21 |
1 |
456 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
33918 |
231.0 |
2.5 |
0.227 |
4 |
0 |
0 |
0.000 |
6 |
|
[23G]A:1010 |
21 |
1 |
458 |
◊ |
A |
x,y,z |
1_555 |
33 |
10 |
33824 |
229.4 |
2.4 |
0.238 |
3 |
0 |
0 |
0.000 |
Average: |
230.2 |
2.5 |
0.232 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
22 |
8 |
33918 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
25 |
7 |
33824 |
213.6 |
0.1 |
0.561 |
2 |
2 |
0 |
0.000 |
7 |
8 |
|
A |
22 |
9 |
33824 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
20 |
8 |
33918 |
206.6 |
1.6 |
0.767 |
6 |
3 |
0 |
0.000 |
8 |
9 |
|
[NAG]A:1001 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
23 |
11 |
33824 |
189.8 |
5.4 |
0.535 |
2 |
0 |
0 |
0.000 |
10 |
|
[NAG]B:1001 |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
24 |
11 |
33918 |
189.3 |
5.7 |
0.545 |
2 |
0 |
0 |
0.000 |
Average: |
189.5 |
5.5 |
0.540 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[NAG]A:1002 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
22 |
9 |
33824 |
174.6 |
3.7 |
0.334 |
5 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:1005 |
13 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
25 |
11 |
33918 |
174.0 |
3.8 |
0.340 |
6 |
0 |
0 |
0.000 |
Average: |
174.3 |
3.8 |
0.337 |
6 |
0 |
0 |
0.000 |
10 |
13 |
|
[NAG]B:1008 |
13 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
33918 |
164.3 |
4.0 |
0.355 |
2 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:1008 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
18 |
7 |
33824 |
163.7 |
3.9 |
0.401 |
2 |
0 |
0 |
0.000 |
Average: |
164.0 |
4.0 |
0.378 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[NAG]B:1002 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
20 |
8 |
33918 |
163.5 |
4.0 |
0.384 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:1004 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
33824 |
162.8 |
3.7 |
0.346 |
1 |
0 |
0 |
0.000 |
Average: |
163.1 |
3.9 |
0.365 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[23G]A:1010 |
17 |
1 |
458 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
33918 |
155.0 |
1.6 |
0.232 |
4 |
0 |
0 |
0.001 |
18 |
|
[23G]A:1011 |
17 |
1 |
456 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
33824 |
152.7 |
1.6 |
0.225 |
4 |
0 |
0 |
0.001 |
Average: |
153.9 |
1.6 |
0.228 |
4 |
0 |
0 |
0.001 |
13 |
19 |
|
[NAG]A:1009 |
11 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
21 |
9 |
33824 |
147.5 |
4.5 |
0.494 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[NAG]B:1007 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
21 |
7 |
33918 |
146.4 |
4.5 |
0.416 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[NAG]B:1003 |
12 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
33918 |
125.9 |
3.3 |
0.306 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:1005 |
12 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
33824 |
121.0 |
3.3 |
0.299 |
1 |
0 |
0 |
0.000 |
Average: |
123.4 |
3.3 |
0.303 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[SO4]B:1020 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
33918 |
123.9 |
-19.8 |
0.634 |
2 |
0 |
0 |
0.074 |
17 |
24 |
|
[NAG]B:1004 |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
33918 |
114.5 |
3.0 |
0.382 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[NAG]A:1006 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
16 |
5 |
33824 |
113.0 |
2.8 |
0.362 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]B:1014 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
33918 |
109.8 |
-18.7 |
0.553 |
4 |
0 |
0 |
0.074 |
20 |
27 |
|
B |
13 |
4 |
33918 |
◊ |
[NAG]B:1007 |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
1 |
362 |
109.7 |
1.5 |
0.174 |
3 |
0 |
0 |
0.000 |
21 |
28 |
|
[SO4]A:1014 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
33824 |
109.5 |
-18.4 |
0.577 |
4 |
0 |
0 |
0.073 |
22 |
29 |
|
[SO4]B:1019 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
33918 |
108.6 |
-14.6 |
0.693 |
4 |
0 |
0 |
0.059 |
23 |
30 |
|
[NAG]A:1007 |
10 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
33824 |
106.3 |
3.4 |
0.407 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[NAG]B:1009 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
11 |
6 |
33918 |
97.7 |
2.9 |
0.351 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
A |
10 |
5 |
33824 |
f |
[SO4]B:1011 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
186 |
88.2 |
-11.3 |
0.547 |
3 |
0 |
0 |
0.046 |
26 |
33 |
|
[SO4]B:1010 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
33918 |
85.9 |
-12.3 |
0.819 |
7 |
0 |
0 |
0.056 |
27 |
34 |
|
[SO4]A:1012 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
33824 |
85.0 |
-12.1 |
0.872 |
6 |
0 |
0 |
0.053 |
28 |
35 |
|
[SO4]B:1021 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
33918 |
82.7 |
-12.7 |
0.711 |
5 |
0 |
0 |
0.054 |
29 |
36 |
|
[SO4]A:1015 |
5 |
1 |
187 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
33918 |
81.1 |
-10.1 |
0.563 |
3 |
0 |
0 |
0.041 |
30 |
37 |
|
[SO4]B:1012 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
33918 |
79.9 |
-10.2 |
0.899 |
5 |
0 |
0 |
0.045 |
31 |
38 |
|
[SO4]A:1018 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
33824 |
79.5 |
-10.6 |
0.881 |
3 |
0 |
0 |
0.043 |
32 |
39 |
|
[SO4]A:1019 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
33824 |
79.2 |
-10.6 |
0.907 |
4 |
0 |
0 |
0.044 |
33 |
40 |
|
[SO4]A:1013 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
33918 |
77.8 |
-10.7 |
0.693 |
2 |
0 |
0 |
0.039 |
34 |
41 |
|
[SO4]B:1016 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
33918 |
76.3 |
-10.1 |
0.953 |
6 |
0 |
0 |
0.046 |
35 |
42 |
|
[SO4]B:1018 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
33824 |
76.2 |
-10.3 |
0.702 |
2 |
0 |
0 |
0.038 |
36 |
43 |
|
[SO4]A:1016 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
33824 |
76.1 |
-8.7 |
0.924 |
1 |
0 |
0 |
0.033 |
37 |
44 |
|
[SO4]B:1018 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
33918 |
75.9 |
-10.5 |
0.838 |
8 |
0 |
0 |
0.051 |
38 |
45 |
|
[SO4]A:1013 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
33824 |
75.5 |
-10.1 |
0.872 |
6 |
0 |
0 |
0.046 |
39 |
46 |
|
[SO4]A:1017 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
33824 |
73.7 |
-8.8 |
0.959 |
4 |
0 |
0 |
0.038 |
40 |
47 |
|
[NAG]A:1003 |
9 |
1 |
360 |
cf |
[NAG]A:1002 |
x,y,z |
1_555 |
6 |
1 |
361 |
73.5 |
1.9 |
0.103 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]B:1006 |
8 |
1 |
363 |
cf |
[NAG]B:1005 |
x,y,z |
1_555 |
6 |
1 |
361 |
72.2 |
1.7 |
0.108 |
0 |
0 |
0 |
0.000 |
Average: |
72.9 |
1.8 |
0.106 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[SO4]B:1015 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
33918 |
69.4 |
-9.0 |
0.833 |
3 |
0 |
0 |
0.037 |
42 |
50 |
|
[SO4]B:1017 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
33918 |
68.6 |
-7.8 |
0.898 |
2 |
0 |
0 |
0.031 |
43 |
51 |
|
[SO4]B:1022 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
33918 |
62.6 |
-8.5 |
0.760 |
1 |
0 |
0 |
0.032 |
44 |
52 |
|
[SO4]B:1013 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
33918 |
62.4 |
-6.3 |
0.953 |
3 |
0 |
0 |
0.028 |
45 |
53 |
|
[SO4]A:1015 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
33824 |
62.3 |
-8.6 |
0.737 |
2 |
0 |
0 |
0.034 |
46 |
54 |
|
[SO4]B:1011 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
33918 |
62.0 |
-8.5 |
0.733 |
2 |
0 |
0 |
0.034 |
47 |
55 |
|
B |
7 |
3 |
33918 |
◊ |
[SO4]B:1022 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
186 |
56.4 |
-7.1 |
0.785 |
1 |
0 |
0 |
0.000 |
48 |
56 |
|
[SO4]B:1012 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
33824 |
53.3 |
-6.8 |
0.852 |
2 |
0 |
0 |
0.026 |
49 |
57 |
|
[NAG]B:1006 |
5 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
33918 |
53.1 |
0.9 |
0.317 |
0 |
0 |
0 |
0.000 |
58 |
|
[NAG]A:1003 |
6 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
33824 |
52.9 |
0.9 |
0.313 |
0 |
0 |
0 |
0.000 |
Average: |
53.0 |
0.9 |
0.315 |
0 |
0 |
0 |
0.000 |
50 |
59 |
|
[SO4]A:1018 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
33918 |
47.3 |
-6.1 |
0.817 |
1 |
0 |
0 |
0.022 |
51 |
60 |
|
[SO4]B:1021 |
4 |
1 |
188 |
f |
[NAG]B:1002 |
x,y,z |
1_555 |
6 |
1 |
362 |
38.2 |
-4.6 |
0.289 |
0 |
0 |
0 |
0.016 |
52 |
61 |
|
[NAG]B:1003 |
5 |
1 |
361 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
5 |
1 |
33824 |
37.2 |
1.2 |
0.428 |
0 |
0 |
0 |
0.000 |
53 |
62 |
|
[NAG]B:1004 |
4 |
1 |
359 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
3 |
33824 |
35.2 |
0.4 |
0.262 |
0 |
0 |
0 |
0.000 |
54 |
63 |
|
B |
4 |
2 |
33918 |
◊ |
[SO4]B:1013 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
186 |
32.1 |
-3.7 |
0.733 |
0 |
0 |
0 |
0.000 |
55 |
64 |
|
[SO4]B:1019 |
3 |
1 |
188 |
f |
[NAG]B:1003 |
x,y,z |
1_555 |
5 |
1 |
361 |
28.4 |
-3.4 |
0.282 |
0 |
0 |
0 |
0.012 |
56 |
65 |
|
[SO4]A:1012 |
4 |
1 |
184 |
f |
[NAG]A:1004 |
x,y,z |
1_555 |
6 |
1 |
361 |
26.0 |
-2.7 |
0.289 |
0 |
0 |
0 |
0.010 |
57 |
66 |
|
[SO4]B:1010 |
4 |
1 |
187 |
f |
[NAG]B:1002 |
x,y,z |
1_555 |
6 |
1 |
362 |
22.1 |
-2.0 |
0.335 |
0 |
0 |
0 |
0.007 |
58 |
67 |
|
A |
4 |
1 |
33824 |
◊ |
[SO4]B:1017 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
186 |
20.8 |
-2.1 |
0.882 |
0 |
0 |
0 |
0.000 |
59 |
68 |
|
[SO4]A:1017 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
33918 |
15.6 |
-1.7 |
0.783 |
0 |
0 |
0 |
0.006 |
60 |
69 |
|
[SO4]B:1016 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
33824 |
12.2 |
-1.5 |
0.711 |
0 |
0 |
0 |
0.005 |
61 |
70 |
|
A |
2 |
1 |
33824 |
x |
A |
-x-3/2,-y,z-1/2 |
2_354 |
1 |
1 |
33824 |
7.3 |
0.5 |
0.870 |
0 |
0 |
0 |
0.000 |
62 |
71 |
|
A |
2 |
2 |
33824 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
33918 |
5.5 |
0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
|