## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
L |
163 |
50 |
11452 |
◊ |
H |
x,y,z |
1_555 |
156 |
42 |
11317 |
1474.0 |
-22.6 |
0.055 |
2 |
0 |
0 |
0.000 |
2 |
|
H |
87 |
24 |
11317 |
◊ |
C |
x,y,z |
1_555 |
87 |
31 |
15708 |
856.9 |
-2.6 |
0.537 |
4 |
3 |
1 |
0.000 |
3 |
|
C |
51 |
16 |
15708 |
◊ |
C |
x,-y,-z |
4_555 |
51 |
16 |
15708 |
548.8 |
-4.1 |
0.341 |
0 |
0 |
0 |
0.000 |
4 |
|
H |
32 |
11 |
11317 |
◊ |
H |
-x+1/2,-y+1/2,z |
6_555 |
32 |
11 |
11317 |
325.4 |
-2.8 |
0.352 |
0 |
0 |
0 |
0.000 |
5 |
|
H |
32 |
13 |
11317 |
◊ |
H |
-x+1,y,-z |
3_655 |
32 |
13 |
11317 |
319.0 |
-3.7 |
0.294 |
0 |
0 |
0 |
0.000 |
6 |
|
C |
35 |
12 |
15708 |
◊ |
C |
-x+1,-y,z |
2_655 |
35 |
12 |
15708 |
313.9 |
-4.3 |
0.232 |
3 |
0 |
0 |
0.000 |
7 |
|
L |
35 |
14 |
11452 |
◊ |
C |
-x+1/2,-y+1/2,z |
6_555 |
31 |
11 |
15708 |
273.0 |
-0.5 |
0.714 |
0 |
0 |
0 |
0.000 |
8 |
|
C |
28 |
11 |
15708 |
◊ |
L |
-x+1/2,y-1/2,-z |
7_545 |
23 |
8 |
11452 |
265.6 |
-1.9 |
0.486 |
0 |
0 |
0 |
0.000 |
9 |
|
[NAG]C:1412 |
14 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
30 |
13 |
15708 |
227.3 |
5.9 |
0.509 |
0 |
0 |
0 |
0.000 |
10 |
|
C |
19 |
5 |
15708 |
◊ |
C |
x,-y,-z+1 |
4_556 |
19 |
5 |
15708 |
202.0 |
-3.4 |
0.164 |
1 |
0 |
0 |
0.000 |
11 |
|
L |
21 |
5 |
11452 |
◊ |
C |
x,y,z |
1_555 |
27 |
10 |
15708 |
199.1 |
0.7 |
0.787 |
1 |
0 |
0 |
0.000 |
12 |
|
[NAG]C:1420 |
14 |
1 |
366 |
cf |
C |
x,y,z |
1_555 |
25 |
7 |
15708 |
158.6 |
3.1 |
0.281 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]C:1424 |
12 |
1 |
365 |
◊ |
L |
-x+1/2,-y+1/2,z |
6_555 |
23 |
8 |
11452 |
148.7 |
1.8 |
0.279 |
0 |
0 |
0 |
0.000 |
14 |
|
L |
17 |
6 |
11452 |
◊ |
H |
-x+1/2,-y+1/2,z |
6_555 |
20 |
6 |
11317 |
138.5 |
0.8 |
0.798 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]C:1418 |
11 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
21 |
9 |
15708 |
137.4 |
3.9 |
0.431 |
2 |
0 |
0 |
0.000 |
16 |
|
[NAG]C:1413 |
13 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
15708 |
130.5 |
2.3 |
0.213 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]C:1424 |
9 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
21 |
9 |
15708 |
124.7 |
4.2 |
0.604 |
0 |
0 |
0 |
0.000 |
18 |
|
[NAG]C:1421 |
10 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
9 |
5 |
15708 |
117.9 |
3.3 |
0.417 |
1 |
0 |
0 |
0.000 |
19 |
|
[NAG]C:1419 |
9 |
1 |
350 |
cf |
C |
x,y,z |
1_555 |
13 |
5 |
15708 |
116.3 |
3.1 |
0.496 |
1 |
0 |
0 |
0.000 |
20 |
|
[NAG]C:1422 |
11 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
15 |
5 |
15708 |
115.2 |
3.1 |
0.304 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]C:1423 |
11 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
13 |
6 |
15708 |
114.3 |
3.2 |
0.379 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]C:1417 |
8 |
1 |
351 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
15708 |
101.0 |
2.2 |
0.435 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]C:1401 |
10 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
15708 |
98.9 |
2.9 |
0.388 |
1 |
0 |
0 |
0.000 |
24 |
|
[CL]C:1411 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
22 |
13 |
15708 |
87.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[PEG]H:301 |
7 |
1 |
256 |
◊ |
[PEG]H:301 |
-x+1/2,-y+1/2,z |
6_555 |
7 |
1 |
256 |
86.5 |
3.9 |
0.152 |
0 |
0 |
0 |
0.000 |
26 |
|
[PEG]H:301 |
7 |
1 |
256 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
11317 |
80.8 |
1.3 |
0.242 |
0 |
0 |
0 |
0.000 |
27 |
|
[PEG]H:301 |
6 |
1 |
256 |
◊ |
H |
-x+1/2,-y+1/2,z |
6_555 |
13 |
6 |
11317 |
80.1 |
1.3 |
0.283 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]C:1413 |
10 |
1 |
364 |
cf |
[NAG]C:1412 |
x,y,z |
1_555 |
7 |
1 |
361 |
76.9 |
1.8 |
0.064 |
0 |
0 |
0 |
0.000 |
29 |
|
H |
14 |
6 |
11317 |
◊ |
C |
x,-y,-z |
4_555 |
4 |
2 |
15708 |
72.5 |
2.0 |
0.894 |
0 |
0 |
0 |
0.000 |
30 |
|
[MAN]C:1415 |
9 |
1 |
287 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
15708 |
69.8 |
0.6 |
0.192 |
0 |
0 |
0 |
0.000 |
31 |
|
[PEG]C:1407 |
5 |
1 |
249 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
15708 |
66.8 |
2.1 |
0.407 |
0 |
0 |
0 |
0.000 |
32 |
|
[MAN]C:1416 |
5 |
1 |
288 |
cf |
[BMA]C:1414 |
x,y,z |
1_555 |
6 |
1 |
287 |
63.6 |
2.2 |
0.253 |
0 |
0 |
0 |
0.000 |
33 |
|
[BMA]C:1414 |
7 |
1 |
287 |
cf |
[NAG]C:1413 |
x,y,z |
1_555 |
6 |
1 |
364 |
63.0 |
1.1 |
0.086 |
0 |
0 |
0 |
0.000 |
34 |
|
[PEG]C:1407 |
6 |
1 |
249 |
◊ |
[PEG]C:1407 |
-x+1,y,-z |
3_655 |
6 |
1 |
249 |
61.9 |
2.3 |
0.086 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]C:1406 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
15708 |
61.7 |
2.1 |
0.894 |
0 |
0 |
0 |
0.000 |
36 |
|
[NA]C:1409 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
14 |
5 |
15708 |
58.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[MAN]C:1415 |
5 |
1 |
287 |
cf |
[BMA]C:1414 |
x,y,z |
1_555 |
6 |
1 |
287 |
57.5 |
2.6 |
0.273 |
0 |
0 |
0 |
0.000 |
38 |
|
[NA]C:1408 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15708 |
53.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]C:1405 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
15708 |
53.4 |
1.1 |
0.740 |
1 |
0 |
0 |
0.000 |
40 |
|
[NA]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
11317 |
51.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.122 |
41 |
|
[NA]C:1408 |
1 |
1 |
125 |
◊ |
C |
x,-y,-z |
4_555 |
6 |
4 |
15708 |
51.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[NAG]C:1417 |
6 |
1 |
351 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
11317 |
49.0 |
0.7 |
0.305 |
0 |
0 |
0 |
0.000 |
43 |
|
[NH4]C:1404 |
1 |
1 |
117 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
15708 |
46.3 |
0.5 |
0.736 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]C:1406 |
4 |
1 |
186 |
◊ |
C |
x,-y,-z |
4_555 |
4 |
2 |
15708 |
45.2 |
1.0 |
0.744 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAG]C:1423 |
5 |
1 |
365 |
◊ |
C |
x,-y,-z |
4_555 |
5 |
1 |
15708 |
44.0 |
1.0 |
0.366 |
0 |
0 |
0 |
0.000 |
46 |
|
[PEG]C:1407 |
4 |
1 |
249 |
f |
C |
-x+1,-y,z |
2_655 |
8 |
3 |
15708 |
40.6 |
0.4 |
0.244 |
0 |
0 |
0 |
0.000 |
47 |
|
L |
4 |
3 |
11452 |
◊ |
L |
-x+1/2,-y+1/2,z |
6_555 |
4 |
3 |
11452 |
37.5 |
-0.9 |
0.297 |
0 |
0 |
0 |
0.000 |
48 |
|
[NH4]C:1402 |
1 |
1 |
117 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
15708 |
32.3 |
0.6 |
0.859 |
0 |
0 |
0 |
0.000 |
49 |
|
[NA]C:1410 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
5 |
2 |
15708 |
31.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[EDO]C:1405 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
11317 |
30.7 |
0.4 |
0.697 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAG]C:1421 |
2 |
1 |
358 |
◊ |
L |
-x+1/2,y-1/2,-z |
7_545 |
4 |
2 |
11452 |
28.2 |
1.1 |
0.708 |
0 |
0 |
0 |
0.000 |
52 |
|
[NH4]C:1403 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15708 |
20.7 |
0.3 |
0.825 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]C:1405 |
3 |
1 |
184 |
◊ |
[NH4]C:1403 |
x,y,z |
1_555 |
1 |
1 |
117 |
17.6 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[NH4]C:1403 |
1 |
1 |
117 |
f |
H |
x,y,z |
1_555 |
2 |
2 |
11317 |
17.2 |
-0.1 |
0.510 |
0 |
0 |
0 |
0.001 |
55 |
|
[NAG]C:1419 |
2 |
1 |
350 |
f |
[NAG]C:1418 |
x,y,z |
1_555 |
1 |
1 |
359 |
16.3 |
0.8 |
0.461 |
0 |
0 |
0 |
0.000 |
56 |
|
[MAN]C:1416 |
2 |
1 |
288 |
f |
[NAG]C:1413 |
x,y,z |
1_555 |
2 |
1 |
364 |
16.1 |
0.6 |
0.232 |
0 |
0 |
0 |
0.000 |
57 |
|
[BMA]C:1414 |
4 |
1 |
287 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
15708 |
14.8 |
0.5 |
0.321 |
0 |
0 |
0 |
0.000 |
58 |
|
[NA]H:302 |
1 |
1 |
125 |
◊ |
[NA]H:302 |
-x+1/2,-y+1/2,z |
6_555 |
1 |
1 |
125 |
14.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[MAN]C:1415 |
2 |
1 |
287 |
f |
[NAG]C:1413 |
x,y,z |
1_555 |
2 |
1 |
364 |
14.7 |
0.2 |
0.232 |
0 |
0 |
0 |
0.000 |
60 |
|
[NAG]C:1419 |
1 |
1 |
350 |
◊ |
C |
x,-y,-z+1 |
4_556 |
1 |
1 |
15708 |
12.0 |
0.2 |
0.336 |
0 |
0 |
0 |
0.000 |
61 |
|
[EDO]C:1406 |
3 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
4 |
2 |
11317 |
11.7 |
0.7 |
0.918 |
0 |
0 |
0 |
0.000 |
62 |
|
[NH4]C:1403 |
1 |
1 |
117 |
◊ |
C |
x,-y,-z |
4_555 |
3 |
2 |
15708 |
10.0 |
-0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
63 |
|
[NAG]C:1422 |
1 |
1 |
365 |
◊ |
L |
-x+1/2,-y+1/2,z |
6_555 |
4 |
2 |
11452 |
9.2 |
0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]C:1419 |
2 |
1 |
350 |
◊ |
[NAG]C:1419 |
x,-y,-z+1 |
4_556 |
2 |
1 |
350 |
8.4 |
0.2 |
0.214 |
0 |
0 |
0 |
0.000 |
65 |
|
[NA]H:302 |
1 |
1 |
125 |
◊ |
[PEG]H:301 |
-x+1/2,-y+1/2,z |
6_555 |
2 |
1 |
256 |
8.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[NH4]L:301 |
1 |
1 |
117 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11452 |
7.1 |
0.2 |
0.892 |
0 |
0 |
0 |
0.000 |
67 |
|
[MAN]C:1416 |
2 |
1 |
288 |
f |
[MAN]C:1415 |
x,y,z |
1_555 |
1 |
1 |
287 |
6.7 |
0.4 |
0.269 |
0 |
0 |
0 |
0.000 |
68 |
|
[NA]H:302 |
1 |
1 |
125 |
f |
[PEG]H:301 |
x,y,z |
1_555 |
2 |
1 |
256 |
6.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
69 |
|
[EDO]C:1405 |
1 |
1 |
184 |
f |
C |
x,-y,-z |
4_555 |
1 |
1 |
15708 |
5.6 |
0.1 |
0.892 |
0 |
0 |
0 |
0.000 |
70 |
|
[NH4]L:301 |
1 |
1 |
117 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
11317 |
4.0 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
71 |
|
C |
2 |
1 |
15708 |
◊ |
C |
-x+1,y,-z |
3_655 |
2 |
1 |
15708 |
2.8 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
|