## |
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 |
|
D |
117 |
34 |
26447 |
◊ |
B |
x,y,z |
1_555 |
124 |
34 |
26329 |
1170.7 |
-20.6 |
0.004 |
4 |
1 |
0 |
0.198 |
2 |
|
C |
115 |
35 |
26454 |
◊ |
A |
x,y,z |
1_555 |
122 |
33 |
26334 |
1169.3 |
-22.0 |
0.002 |
4 |
1 |
0 |
0.198 |
Average: |
1170.0 |
-21.3 |
0.003 |
4 |
1 |
0 |
0.198 |
2 |
3 |
|
D |
98 |
27 |
26447 |
◊ |
A |
x,y,z |
1_555 |
97 |
28 |
26334 |
885.0 |
-3.1 |
0.548 |
7 |
8 |
0 |
0.066 |
4 |
|
C |
89 |
26 |
26454 |
◊ |
B |
x,y,z |
1_555 |
89 |
26 |
26329 |
810.0 |
-2.9 |
0.537 |
8 |
8 |
0 |
0.066 |
Average: |
847.5 |
-3.0 |
0.543 |
8 |
8 |
0 |
0.066 |
3 |
5 |
|
D |
57 |
15 |
26447 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
70 |
19 |
26329 |
594.3 |
-0.6 |
0.644 |
9 |
7 |
0 |
0.000 |
6 |
|
A |
69 |
19 |
26334 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
52 |
15 |
26454 |
561.3 |
-1.1 |
0.589 |
6 |
8 |
0 |
0.000 |
Average: |
577.8 |
-0.8 |
0.617 |
8 |
8 |
0 |
0.000 |
4 |
7 |
|
C |
45 |
11 |
26454 |
◊ |
D |
x,y,z-1 |
1_554 |
43 |
10 |
26447 |
419.5 |
1.5 |
0.791 |
5 |
3 |
0 |
0.000 |
5 |
8 |
|
F |
23 |
5 |
580 |
◊ |
D |
x,y,z |
1_555 |
42 |
15 |
26447 |
273.6 |
-4.3 |
0.521 |
1 |
0 |
0 |
0.037 |
6 |
9 |
|
A |
23 |
7 |
26334 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
8 |
26329 |
193.4 |
-2.5 |
0.312 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
26 |
9 |
26334 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
23 |
7 |
26329 |
186.2 |
-2.4 |
0.322 |
3 |
0 |
0 |
0.000 |
Average: |
189.8 |
-2.5 |
0.317 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
27 |
12 |
26447 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
12 |
26334 |
181.9 |
-1.4 |
0.486 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
E |
10 |
2 |
325 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
26454 |
156.3 |
-1.8 |
0.571 |
2 |
1 |
0 |
0.024 |
9 |
13 |
|
[GLC]A:908 |
11 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
26334 |
148.3 |
2.8 |
0.414 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[GLC]A:904 |
11 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
26334 |
145.6 |
3.5 |
0.450 |
2 |
0 |
0 |
0.000 |
15 |
|
[GLC]B:904 |
11 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
26329 |
145.0 |
3.5 |
0.496 |
2 |
0 |
0 |
0.000 |
Average: |
145.3 |
3.5 |
0.473 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[GLC]B:908 |
11 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
26329 |
142.0 |
2.6 |
0.427 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
[GLC]B:903 |
11 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
26329 |
139.2 |
3.4 |
0.438 |
5 |
0 |
0 |
0.000 |
13 |
18 |
|
[GLC]A:903 |
11 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
26334 |
135.4 |
3.3 |
0.429 |
5 |
0 |
0 |
0.000 |
14 |
19 |
|
[GLC]B:902 |
9 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
26329 |
125.1 |
1.9 |
0.419 |
2 |
0 |
0 |
0.000 |
20 |
|
[GLC]A:902 |
10 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
26334 |
115.3 |
1.9 |
0.365 |
1 |
0 |
0 |
0.000 |
Average: |
120.2 |
1.9 |
0.392 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[GLC]B:907 |
10 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
26329 |
123.3 |
2.0 |
0.420 |
3 |
0 |
0 |
0.000 |
22 |
|
[GLC]A:907 |
10 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
26334 |
121.6 |
2.0 |
0.398 |
3 |
0 |
0 |
0.000 |
Average: |
122.4 |
2.0 |
0.409 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
[SO4]A:802 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
26334 |
119.8 |
-17.1 |
0.726 |
5 |
0 |
0 |
0.162 |
17 |
24 |
|
[SO4]B:802 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
26329 |
119.1 |
-17.3 |
0.723 |
5 |
0 |
0 |
0.168 |
18 |
25 |
|
[SO4]D:801 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
26447 |
115.5 |
-15.6 |
0.853 |
6 |
0 |
0 |
0.154 |
19 |
26 |
|
[GLC]B:906 |
9 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
26329 |
110.6 |
1.5 |
0.331 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[GLC]A:906 |
8 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
26334 |
110.2 |
1.2 |
0.376 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[SO4]C:706 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
26454 |
109.1 |
-15.3 |
0.862 |
5 |
0 |
0 |
0.151 |
22 |
29 |
|
[SO4]B:801 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
26329 |
102.1 |
-14.2 |
0.837 |
5 |
0 |
0 |
0.142 |
23 |
30 |
|
[SO4]D:802 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
26447 |
100.4 |
-13.3 |
0.908 |
5 |
0 |
0 |
0.130 |
24 |
31 |
|
[SO4]A:801 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
26334 |
99.2 |
-14.1 |
0.853 |
4 |
0 |
0 |
0.133 |
25 |
32 |
|
[SO4]C:801 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
26454 |
96.7 |
-13.5 |
0.916 |
4 |
0 |
0 |
0.132 |
26 |
33 |
|
[SO4]A:804 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
26334 |
91.0 |
-11.5 |
0.842 |
3 |
0 |
0 |
0.108 |
27 |
34 |
|
[SO4]B:804 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
26329 |
89.5 |
-11.9 |
0.822 |
4 |
0 |
0 |
0.118 |
28 |
35 |
|
[SO4]D:804 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
26447 |
87.9 |
-11.7 |
0.846 |
4 |
0 |
0 |
0.113 |
29 |
36 |
|
[SO4]C:804 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
26454 |
82.5 |
-10.7 |
0.795 |
4 |
0 |
0 |
0.108 |
30 |
37 |
|
A |
11 |
4 |
26334 |
◊ |
[GLC]B:905 |
-x+1,y-1/2,-z |
2_645 |
8 |
1 |
293 |
81.1 |
0.6 |
0.238 |
3 |
0 |
0 |
0.000 |
31 |
38 |
|
[SO4]D:803 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
26447 |
78.9 |
-9.5 |
0.866 |
2 |
0 |
0 |
0.087 |
32 |
39 |
|
[SO4]C:803 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
26454 |
75.6 |
-9.4 |
0.853 |
1 |
0 |
0 |
0.085 |
33 |
40 |
|
[SO4]A:803 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
26334 |
69.9 |
-8.2 |
0.862 |
1 |
0 |
0 |
0.073 |
34 |
41 |
|
[GLC]A:906 |
5 |
1 |
294 |
cf |
[GLC]A:905 |
x,y,z |
1_555 |
7 |
1 |
293 |
66.7 |
2.0 |
0.173 |
0 |
0 |
0 |
0.000 |
42 |
|
[GLC]A:908 |
5 |
1 |
305 |
cf |
[GLC]A:907 |
x,y,z |
1_555 |
6 |
1 |
295 |
58.4 |
1.4 |
0.214 |
0 |
0 |
0 |
0.000 |
Average: |
62.5 |
1.7 |
0.193 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[GLC]A:903 |
6 |
1 |
293 |
cf |
[GLC]A:902 |
x,y,z |
1_555 |
7 |
1 |
294 |
66.5 |
1.7 |
0.203 |
1 |
0 |
0 |
0.000 |
36 |
44 |
|
[GLC]B:903 |
5 |
1 |
295 |
cf |
[GLC]B:902 |
x,y,z |
1_555 |
6 |
1 |
293 |
65.4 |
1.7 |
0.214 |
0 |
0 |
0 |
0.000 |
45 |
|
[GLC]A:907 |
6 |
1 |
295 |
cf |
[GLC]A:906 |
x,y,z |
1_555 |
6 |
1 |
294 |
62.1 |
1.4 |
0.203 |
0 |
0 |
0 |
0.000 |
Average: |
63.8 |
1.5 |
0.208 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[GLC]A:902 |
7 |
1 |
294 |
cf |
[GLC]A:901 |
x,y,z |
1_555 |
6 |
1 |
293 |
65.2 |
1.0 |
0.119 |
0 |
0 |
0 |
0.000 |
47 |
|
[GLC]B:902 |
7 |
1 |
293 |
cf |
[GLC]B:901 |
x,y,z |
1_555 |
6 |
1 |
293 |
63.9 |
1.3 |
0.121 |
0 |
0 |
0 |
0.000 |
48 |
|
[GLC]B:906 |
7 |
1 |
297 |
cf |
[GLC]B:905 |
x,y,z |
1_555 |
6 |
1 |
293 |
63.7 |
1.4 |
0.132 |
0 |
0 |
0 |
0.000 |
Average: |
64.3 |
1.2 |
0.124 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[SO4]B:706 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
26329 |
64.3 |
-7.2 |
0.860 |
2 |
0 |
0 |
0.070 |
39 |
50 |
|
[GLC]A:904 |
5 |
1 |
304 |
cf |
[GLC]A:903 |
x,y,z |
1_555 |
6 |
1 |
293 |
63.7 |
1.9 |
0.212 |
0 |
0 |
0 |
0.000 |
51 |
|
[GLC]B:904 |
5 |
1 |
302 |
cf |
[GLC]B:903 |
x,y,z |
1_555 |
6 |
1 |
295 |
63.3 |
1.8 |
0.219 |
0 |
0 |
0 |
0.000 |
Average: |
63.5 |
1.9 |
0.216 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[GLC]A:905 |
6 |
1 |
293 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
26329 |
63.1 |
0.6 |
0.293 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
[GLC]B:907 |
6 |
1 |
294 |
cf |
[GLC]B:906 |
x,y,z |
1_555 |
7 |
1 |
297 |
62.4 |
1.5 |
0.166 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
D |
7 |
3 |
26447 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
26454 |
61.3 |
2.0 |
0.918 |
2 |
0 |
0 |
0.000 |
55 |
|
B |
5 |
3 |
26329 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
26334 |
41.1 |
1.9 |
0.927 |
0 |
0 |
0 |
0.000 |
Average: |
51.2 |
1.9 |
0.923 |
1 |
0 |
0 |
0.000 |
43 |
56 |
|
[GLC]A:905 |
5 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
26334 |
61.3 |
1.2 |
0.432 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
[GLC]A:901 |
4 |
1 |
293 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
26334 |
60.8 |
1.1 |
0.465 |
1 |
0 |
0 |
0.000 |
45 |
58 |
|
[GLC]B:908 |
5 |
1 |
304 |
cf |
[GLC]B:907 |
x,y,z |
1_555 |
6 |
1 |
294 |
59.9 |
1.7 |
0.237 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[GLC]B:901 |
5 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
26329 |
56.0 |
1.3 |
0.467 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
[GLC]B:905 |
5 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
26329 |
53.7 |
0.5 |
0.319 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
[SO4]D:803 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
26334 |
39.5 |
-3.8 |
0.974 |
1 |
0 |
0 |
0.036 |
49 |
62 |
|
A |
6 |
3 |
26334 |
◊ |
[GLC]B:906 |
-x+1,y-1/2,-z |
2_645 |
6 |
1 |
297 |
35.4 |
0.5 |
0.304 |
0 |
0 |
0 |
0.000 |
63 |
|
[GLC]A:906 |
6 |
1 |
294 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
26329 |
33.5 |
0.5 |
0.315 |
0 |
0 |
0 |
0.000 |
Average: |
34.4 |
0.5 |
0.310 |
0 |
0 |
0 |
0.000 |
50 |
64 |
|
[SO4]A:803 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
26447 |
35.3 |
-3.7 |
0.970 |
1 |
0 |
0 |
0.035 |
51 |
65 |
|
[SO4]D:802 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
580 |
34.9 |
-4.2 |
0.842 |
0 |
0 |
0 |
0.033 |
52 |
66 |
|
[SO4]B:706 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
26454 |
32.7 |
-3.6 |
0.964 |
1 |
0 |
0 |
0.035 |
53 |
67 |
|
[SO4]C:803 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
4 |
26329 |
30.3 |
-2.9 |
0.954 |
1 |
0 |
0 |
0.029 |
54 |
68 |
|
A |
5 |
1 |
26334 |
◊ |
[GLC]B:907 |
-x+1,y-1/2,-z |
2_645 |
6 |
1 |
294 |
30.1 |
0.3 |
0.302 |
0 |
0 |
0 |
0.000 |
69 |
|
[GLC]A:907 |
6 |
1 |
295 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
26329 |
29.2 |
0.3 |
0.290 |
0 |
0 |
0 |
0.000 |
Average: |
29.6 |
0.3 |
0.296 |
0 |
0 |
0 |
0.000 |
55 |
70 |
|
A |
4 |
3 |
26334 |
◊ |
[GLC]B:908 |
-x+1,y-1/2,-z |
2_645 |
6 |
1 |
304 |
25.9 |
-0.2 |
0.181 |
0 |
0 |
0 |
0.000 |
71 |
|
[GLC]A:908 |
5 |
1 |
305 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
26329 |
20.4 |
-0.2 |
0.183 |
0 |
0 |
0 |
0.000 |
Average: |
23.1 |
-0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
56 |
72 |
|
[GLC]A:901 |
2 |
1 |
293 |
f |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
26454 |
16.3 |
0.8 |
0.509 |
0 |
0 |
0 |
0.000 |
57 |
73 |
|
D |
2 |
1 |
26447 |
f |
[GLC]B:901 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
293 |
13.3 |
0.6 |
0.488 |
0 |
0 |
0 |
0.000 |
58 |
74 |
|
[SO4]D:802 |
1 |
1 |
184 |
◊ |
[SO4]A:803 |
x,y,z |
1_555 |
1 |
1 |
186 |
12.3 |
-3.0 |
0.800 |
0 |
0 |
0 |
0.025 |
59 |
75 |
|
[SO4]D:801 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
580 |
10.6 |
-1.2 |
0.784 |
0 |
0 |
0 |
0.009 |
60 |
76 |
|
[SO4]C:801 |
2 |
1 |
185 |
◊ |
[SO4]B:706 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.8 |
-1.6 |
0.876 |
0 |
0 |
0 |
0.014 |
61 |
77 |
|
[SO4]C:801 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
325 |
5.5 |
-0.7 |
0.759 |
0 |
0 |
0 |
0.006 |
62 |
78 |
|
[SO4]D:803 |
2 |
1 |
185 |
◊ |
[SO4]A:801 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.9 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.008 |
63 |
79 |
|
[SO4]A:801 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
26447 |
3.8 |
-0.4 |
0.877 |
0 |
0 |
0 |
0.004 |
64 |
80 |
|
[GLC]B:903 |
2 |
1 |
295 |
f |
[GLC]B:901 |
x,y,z |
1_555 |
2 |
1 |
293 |
3.4 |
0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
81 |
|
[GLC]B:907 |
2 |
1 |
294 |
f |
[GLC]B:905 |
x,y,z |
1_555 |
1 |
1 |
293 |
2.4 |
0.0 |
0.219 |
0 |
0 |
0 |
0.000 |
Average: |
2.9 |
0.1 |
0.242 |
0 |
0 |
0 |
0.000 |
65 |
82 |
|
[GLC]B:904 |
1 |
1 |
302 |
f |
[GLC]B:902 |
x,y,z |
1_555 |
1 |
1 |
293 |
2.6 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
83 |
|
[GLC]A:904 |
1 |
1 |
304 |
f |
[GLC]A:902 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.4 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
66 |
84 |
|
[GLC]A:907 |
1 |
1 |
295 |
f |
[GLC]A:905 |
x,y,z |
1_555 |
1 |
1 |
293 |
2.5 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
67 |
85 |
|
[GLC]A:908 |
1 |
1 |
305 |
f |
[GLC]A:906 |
x,y,z |
1_555 |
1 |
1 |
294 |
1.9 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
68 |
86 |
|
[GLC]B:908 |
1 |
1 |
304 |
f |
[GLC]B:905 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.7 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
69 |
87 |
|
[GLC]B:908 |
1 |
1 |
304 |
f |
[GLC]B:906 |
x,y,z |
1_555 |
1 |
1 |
297 |
1.5 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
70 |
88 |
|
[SO4]D:802 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
26334 |
1.4 |
-0.1 |
0.851 |
0 |
0 |
0 |
0.001 |
71 |
89 |
|
[GLC]A:903 |
1 |
1 |
293 |
f |
[GLC]A:901 |
x,y,z |
1_555 |
1 |
1 |
293 |
0.9 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|