## |
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 |
115 |
27 |
23716 |
◊ |
A |
x,y,z |
1_555 |
114 |
28 |
23936 |
970.8 |
-7.1 |
0.261 |
9 |
6 |
0 |
0.000 |
2 |
2 |
|
A |
49 |
15 |
23936 |
◊ |
B |
x-1,y,z+1 |
1_456 |
62 |
20 |
23716 |
444.4 |
-3.1 |
0.382 |
1 |
0 |
0 |
0.000 |
3 |
3 |
|
[FT8]A:709 |
27 |
1 |
591 |
f |
A |
x,y,z |
1_555 |
55 |
22 |
23936 |
380.5 |
-2.3 |
0.165 |
7 |
0 |
0 |
0.041 |
4 |
|
[FT8]B:711 |
25 |
1 |
589 |
f |
B |
x,y,z |
1_555 |
56 |
21 |
23716 |
378.3 |
-2.1 |
0.193 |
7 |
0 |
0 |
0.041 |
Average: |
379.4 |
-2.2 |
0.179 |
7 |
0 |
0 |
0.041 |
4 |
5 |
|
B |
52 |
18 |
23716 |
◊ |
A |
x,y-1,z |
1_545 |
54 |
15 |
23936 |
373.8 |
-1.7 |
0.473 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[XPE]A:711 |
27 |
1 |
779 |
f |
B |
x-1,y+1,z+1 |
1_466 |
44 |
11 |
23716 |
321.3 |
-3.1 |
0.292 |
0 |
0 |
0 |
0.015 |
6 |
7 |
|
[XPE]A:711 |
28 |
1 |
779 |
◊ |
A |
x,y,z |
1_555 |
45 |
11 |
23936 |
316.8 |
-0.9 |
0.405 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
32 |
9 |
23716 |
x |
B |
x-1,y,z |
1_455 |
29 |
7 |
23716 |
287.0 |
2.8 |
0.877 |
2 |
4 |
0 |
0.000 |
8 |
9 |
|
A |
30 |
11 |
23936 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
31 |
11 |
23716 |
275.9 |
2.9 |
0.901 |
1 |
4 |
0 |
0.000 |
9 |
10 |
|
[PGE]B:719 |
10 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
23716 |
205.4 |
6.5 |
0.534 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[PG4]A:712 |
10 |
1 |
405 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
23936 |
155.2 |
2.2 |
0.239 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
21 |
7 |
23716 |
◊ |
A |
x,y,z-1 |
1_554 |
19 |
7 |
23936 |
155.2 |
-2.2 |
0.235 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[NAG]A:703 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
23936 |
151.7 |
3.3 |
0.334 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[NAG]B:703 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
21 |
6 |
23716 |
148.5 |
3.1 |
0.383 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[NAG]A:701 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
23936 |
137.0 |
4.2 |
0.535 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[NAG]B:701 |
10 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
23716 |
135.5 |
4.1 |
0.524 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[PG4]A:712 |
8 |
1 |
405 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
23716 |
127.6 |
3.6 |
0.378 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]A:717 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
23936 |
109.4 |
3.0 |
0.474 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:717 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
23716 |
108.8 |
2.7 |
0.447 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[FUC]A:704 |
9 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
23936 |
107.3 |
1.9 |
0.293 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:719 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
23936 |
101.9 |
3.8 |
0.546 |
1 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:718 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
23716 |
98.3 |
3.6 |
0.564 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[NAG]B:707 |
10 |
1 |
346 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
23716 |
96.2 |
3.3 |
0.416 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]A:716 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
23936 |
95.0 |
2.3 |
0.267 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[NAG]A:706 |
11 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
23936 |
95.0 |
2.8 |
0.334 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[FUC]A:707 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
23936 |
94.1 |
1.7 |
0.340 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]A:715 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
23936 |
91.7 |
3.0 |
0.499 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]A:713 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
23936 |
91.5 |
2.0 |
0.216 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[NAG]A:706 |
6 |
1 |
355 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
23716 |
87.1 |
2.6 |
0.573 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[NAG]A:705 |
11 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
23936 |
86.7 |
0.9 |
0.152 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[NAG]B:707 |
7 |
1 |
346 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
23936 |
80.6 |
1.9 |
0.363 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[NAG]B:704 |
10 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
23716 |
80.6 |
0.9 |
0.167 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]A:718 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
23936 |
79.0 |
1.6 |
0.215 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]B:714 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
23716 |
77.7 |
1.5 |
0.224 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]A:714 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
23936 |
77.0 |
2.6 |
0.455 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[EDO]B:716 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
23716 |
76.3 |
1.8 |
0.250 |
1 |
0 |
0 |
0.000 |
36 |
37 |
|
[NAG]B:702 |
9 |
1 |
364 |
cf |
[NAG]B:701 |
x,y,z |
1_555 |
7 |
1 |
366 |
73.4 |
1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
38 |
|
[NAG]A:702 |
8 |
1 |
360 |
cf |
[NAG]A:701 |
x,y,z |
1_555 |
7 |
1 |
361 |
72.8 |
1.6 |
0.090 |
0 |
0 |
0 |
0.000 |
Average: |
73.1 |
1.6 |
0.086 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]B:715 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
2 |
23716 |
72.4 |
2.1 |
0.895 |
1 |
0 |
0 |
0.000 |
38 |
40 |
|
[NAG]A:705 |
8 |
1 |
360 |
cf |
[NAG]A:703 |
x,y,z |
1_555 |
6 |
1 |
362 |
71.3 |
1.5 |
0.109 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[NAG]B:704 |
9 |
1 |
363 |
cf |
[NAG]B:703 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.3 |
1.3 |
0.087 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[CL]A:710 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
23936 |
68.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.095 |
43 |
|
[CL]B:712 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23716 |
68.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
68.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.095 |
41 |
44 |
|
[NAG]B:708 |
9 |
1 |
347 |
cf |
[NAG]B:707 |
x,y,z |
1_555 |
5 |
1 |
346 |
67.6 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[FUC]B:709 |
4 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23716 |
66.6 |
1.6 |
0.564 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[FUC]A:707 |
6 |
1 |
281 |
cf |
[NAG]A:706 |
x,y,z |
1_555 |
6 |
1 |
355 |
62.8 |
2.5 |
0.222 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
B |
12 |
3 |
23716 |
◊ |
[FUC]B:706 |
x-1,y,z |
1_455 |
4 |
1 |
280 |
61.9 |
0.9 |
0.360 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[BMA]B:705 |
9 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
7 |
1 |
23716 |
61.2 |
1.4 |
0.266 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[FUC]A:704 |
4 |
1 |
280 |
cf |
[NAG]A:703 |
x,y,z |
1_555 |
5 |
1 |
362 |
60.8 |
2.3 |
0.313 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[BMA]B:705 |
6 |
1 |
294 |
cf |
[NAG]B:704 |
x,y,z |
1_555 |
4 |
1 |
363 |
60.7 |
1.2 |
0.151 |
0 |
0 |
0 |
0.000 |
48 |
51 |
|
[FUC]B:709 |
5 |
1 |
282 |
cf |
[NAG]B:707 |
x,y,z |
1_555 |
7 |
1 |
346 |
59.5 |
2.9 |
0.226 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[MG]B:713 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
23716 |
57.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.041 |
50 |
53 |
|
[FUC]B:706 |
7 |
1 |
280 |
cf |
[NAG]B:703 |
x,y,z |
1_555 |
5 |
1 |
361 |
56.6 |
2.4 |
0.195 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[FUC]B:709 |
4 |
1 |
282 |
f |
[NAG]B:708 |
x,y,z |
1_555 |
5 |
1 |
347 |
51.8 |
2.4 |
0.325 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[FUC]B:706 |
3 |
1 |
280 |
f |
[NAG]B:704 |
x,y,z |
1_555 |
5 |
1 |
363 |
41.6 |
2.2 |
0.298 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
[EDO]B:718 |
2 |
1 |
184 |
f |
[FT8]B:711 |
x,y,z |
1_555 |
4 |
1 |
589 |
39.1 |
0.6 |
0.420 |
1 |
0 |
0 |
0.000 |
54 |
57 |
|
[EDO]A:717 |
2 |
1 |
185 |
f |
[FT8]A:709 |
x,y,z |
1_555 |
4 |
1 |
591 |
36.3 |
0.7 |
0.613 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[ZN]A:708 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
23936 |
34.6 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.175 |
59 |
|
[ZN]B:710 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23716 |
33.9 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.175 |
Average: |
34.3 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.175 |
56 |
60 |
|
[FT8]A:709 |
5 |
1 |
591 |
f |
[ZN]A:708 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.113 |
61 |
|
[FT8]B:711 |
6 |
1 |
589 |
f |
[ZN]B:710 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
31.5 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.113 |
57 |
62 |
|
[EDO]A:718 |
3 |
1 |
182 |
f |
[FT8]A:709 |
x,y,z |
1_555 |
3 |
1 |
591 |
30.7 |
0.4 |
0.534 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
[NAG]B:702 |
4 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
23716 |
30.6 |
1.0 |
0.418 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
[NAG]A:702 |
3 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
23936 |
28.3 |
0.7 |
0.421 |
0 |
0 |
0 |
0.000 |
60 |
65 |
|
[EDO]B:714 |
2 |
1 |
185 |
f |
[FT8]B:711 |
x,y,z |
1_555 |
2 |
1 |
589 |
26.9 |
0.4 |
0.531 |
0 |
0 |
0 |
0.000 |
61 |
66 |
|
[FUC]A:704 |
4 |
1 |
280 |
f |
[NAG]A:705 |
x,y,z |
1_555 |
4 |
1 |
360 |
23.0 |
1.0 |
0.164 |
0 |
0 |
0 |
0.000 |
62 |
67 |
|
[NAG]B:702 |
2 |
1 |
364 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
23936 |
22.4 |
0.5 |
0.371 |
0 |
0 |
0 |
0.000 |
63 |
68 |
|
[EDO]B:718 |
1 |
1 |
184 |
f |
[EDO]B:714 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.8 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
69 |
|
[NAG]B:708 |
3 |
1 |
347 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23936 |
9.3 |
0.2 |
0.388 |
0 |
0 |
0 |
0.000 |
65 |
70 |
|
[EDO]B:718 |
1 |
1 |
184 |
f |
[ZN]B:710 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
71 |
|
[EDO]A:717 |
2 |
1 |
185 |
f |
[ZN]A:708 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
6.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
66 |
72 |
|
[EDO]A:718 |
1 |
1 |
182 |
f |
[EDO]A:717 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
B |
2 |
1 |
23716 |
◊ |
[NAG]B:703 |
x-1,y,z |
1_455 |
2 |
1 |
361 |
4.2 |
0.0 |
0.304 |
0 |
0 |
0 |
0.000 |
68 |
74 |
|
[NAG]B:708 |
1 |
1 |
347 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23716 |
2.4 |
-0.0 |
0.238 |
0 |
0 |
0 |
0.000 |
69 |
75 |
|
[FUC]A:707 |
1 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23716 |
0.7 |
-0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
|