## |
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 |
192 |
61 |
24558 |
◊ |
A |
x,y,z |
1_555 |
191 |
62 |
25112 |
1785.2 |
-17.3 |
0.127 |
5 |
4 |
0 |
0.028 |
2 |
2 |
|
A |
76 |
23 |
25112 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
84 |
28 |
25112 |
713.3 |
-3.9 |
0.357 |
2 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
53 |
18 |
24558 |
◊ |
B |
-x,y,-z |
2_555 |
52 |
18 |
24558 |
462.1 |
-6.1 |
0.203 |
1 |
4 |
0 |
0.000 |
4 |
4 |
|
A |
40 |
11 |
25112 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
45 |
13 |
24558 |
369.0 |
-1.0 |
0.556 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
28 |
9 |
25112 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
7 |
24558 |
230.9 |
0.7 |
0.696 |
0 |
7 |
0 |
0.000 |
6 |
6 |
|
A |
18 |
4 |
25112 |
◊ |
A |
-x,y,-z+1 |
2_556 |
17 |
4 |
25112 |
160.5 |
1.3 |
0.767 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
21 |
8 |
24558 |
◊ |
A |
-x,y-1,-z |
2_545 |
16 |
5 |
25112 |
143.6 |
1.0 |
0.724 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[NAG]A:501 |
10 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
25112 |
133.0 |
4.8 |
0.600 |
1 |
0 |
0 |
0.000 |
9 |
|
[NAG]B:502 |
10 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
24558 |
126.6 |
4.1 |
0.569 |
2 |
0 |
0 |
0.000 |
Average: |
129.8 |
4.5 |
0.584 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
12 |
5 |
24558 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
7 |
24558 |
132.4 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:520 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
24558 |
107.9 |
3.2 |
0.439 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:522 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
25112 |
105.7 |
1.7 |
0.343 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[NAG]A:506 |
9 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
14 |
4 |
25112 |
100.1 |
2.8 |
0.401 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:519 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
24558 |
99.2 |
2.3 |
0.392 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:519 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
25112 |
95.4 |
1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:523 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
25112 |
94.3 |
3.0 |
0.613 |
3 |
0 |
0 |
0.000 |
16 |
17 |
|
[FUC]A:509 |
9 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
25112 |
94.0 |
3.0 |
0.355 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:518 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
8 |
24558 |
91.6 |
2.6 |
0.470 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:520 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
8 |
25112 |
88.3 |
2.5 |
0.476 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[NAG]B:501 |
7 |
1 |
350 |
cf |
B |
x,y,z |
1_555 |
10 |
5 |
24558 |
81.2 |
2.4 |
0.447 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:521 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
25112 |
78.9 |
1.8 |
0.255 |
1 |
0 |
0 |
0.000 |
21 |
22 |
|
[NAG]B:504 |
7 |
1 |
355 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
7 |
1 |
352 |
77.5 |
2.0 |
0.143 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[NAG]A:508 |
9 |
1 |
360 |
cf |
[NAG]A:507 |
x,y,z |
1_555 |
7 |
1 |
362 |
73.6 |
1.6 |
0.070 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[NAG]A:502 |
7 |
1 |
362 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.1 |
1.9 |
0.128 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[NAG]B:508 |
8 |
1 |
350 |
cf |
B |
x,y,z |
1_555 |
6 |
2 |
24558 |
68.2 |
2.0 |
0.362 |
1 |
0 |
0 |
0.000 |
25 |
26 |
|
[FUC]A:505 |
7 |
1 |
279 |
cf |
[NAG]A:506 |
x,y,z |
1_555 |
8 |
1 |
359 |
67.6 |
1.8 |
0.098 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[MAN]B:507 |
7 |
1 |
292 |
cf |
[BMA]B:505 |
x,y,z |
1_555 |
6 |
1 |
292 |
64.5 |
3.0 |
0.228 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[NA]B:521 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
24558 |
64.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.040 |
29 |
|
[NA]A:524 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
25112 |
64.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
64.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.040 |
28 |
30 |
|
[BMA]B:505 |
7 |
1 |
292 |
cf |
[NAG]B:504 |
x,y,z |
1_555 |
4 |
1 |
355 |
61.7 |
1.2 |
0.104 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[NAG]A:507 |
7 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
4 |
1 |
25112 |
58.9 |
1.5 |
0.305 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]A:522 |
4 |
1 |
185 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
24558 |
58.8 |
1.6 |
0.845 |
1 |
0 |
0 |
0.000 |
31 |
33 |
|
[NAG]A:507 |
6 |
1 |
362 |
cf |
[FUC]A:509 |
x,y,z |
1_555 |
6 |
1 |
278 |
58.4 |
2.2 |
0.180 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:520 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
24558 |
57.9 |
1.4 |
0.234 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[FUC]A:504 |
7 |
1 |
281 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
4 |
1 |
359 |
56.9 |
2.0 |
0.192 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[FUC]B:503 |
5 |
1 |
280 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
5 |
1 |
352 |
56.8 |
1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[BMA]A:503 |
5 |
1 |
290 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
4 |
1 |
362 |
56.2 |
1.1 |
0.162 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
A |
8 |
4 |
25112 |
f |
[EDO]A:521 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
184 |
54.3 |
1.0 |
0.634 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[MAN]B:506 |
6 |
1 |
292 |
cf |
[BMA]B:505 |
x,y,z |
1_555 |
4 |
1 |
292 |
54.1 |
2.2 |
0.249 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[EDO]B:518 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
25112 |
52.4 |
0.7 |
0.513 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[CA]B:513 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
24558 |
43.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.044 |
42 |
|
[CA]A:514 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
25112 |
41.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
42.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.044 |
40 |
43 |
|
[CA]A:517 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
25112 |
42.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.042 |
44 |
|
[CA]B:515 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
24558 |
39.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
40.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.042 |
41 |
45 |
|
[CA]A:512 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
25112 |
39.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.044 |
46 |
|
[CA]B:510 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
24558 |
38.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
39.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.044 |
42 |
47 |
|
[MAN]B:506 |
3 |
1 |
292 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
6 |
1 |
355 |
33.7 |
1.3 |
0.161 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[FUC]A:504 |
3 |
1 |
281 |
f |
[NAG]A:502 |
x,y,z |
1_555 |
5 |
1 |
362 |
32.7 |
1.8 |
0.263 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[NAG]A:508 |
5 |
1 |
360 |
f |
[FUC]A:509 |
x,y,z |
1_555 |
4 |
1 |
278 |
31.2 |
1.7 |
0.219 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[MAN]B:507 |
4 |
1 |
292 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
3 |
1 |
355 |
30.4 |
0.8 |
0.189 |
1 |
0 |
0 |
0.000 |
46 |
51 |
|
[NAG]B:504 |
3 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
24558 |
28.1 |
1.0 |
0.520 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[FUC]B:503 |
3 |
1 |
280 |
f |
[NAG]B:504 |
x,y,z |
1_555 |
5 |
1 |
355 |
28.1 |
1.5 |
0.228 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
A |
3 |
2 |
25112 |
f |
[EDO]A:523 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
184 |
27.6 |
0.7 |
0.898 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[EDO]B:520 |
2 |
1 |
186 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
24558 |
22.2 |
0.0 |
0.452 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[NA]A:524 |
1 |
1 |
125 |
f |
[NAG]A:501 |
x,y,z |
1_555 |
2 |
1 |
359 |
16.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
56 |
|
[NA]B:521 |
1 |
1 |
125 |
f |
[NAG]B:502 |
x,y,z |
1_555 |
3 |
1 |
352 |
14.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
15.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
51 |
57 |
|
[EDO]A:523 |
1 |
1 |
184 |
f |
[CA]A:515 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
52 |
58 |
|
[FUC]A:504 |
5 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
25112 |
12.8 |
0.5 |
0.304 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
A |
3 |
2 |
25112 |
◊ |
B |
x,y-1,z-1 |
1_544 |
4 |
2 |
24558 |
12.7 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
B |
2 |
1 |
24558 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
25112 |
12.2 |
0.3 |
0.690 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[CA]B:516 |
1 |
1 |
85 |
f |
[CA]B:515 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
62 |
|
[CA]A:517 |
1 |
1 |
85 |
f |
[CA]A:516 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.012 |
57 |
63 |
|
[CA]B:510 |
1 |
1 |
85 |
f |
[CA]B:509 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.010 |
58 |
64 |
|
[CA]A:512 |
1 |
1 |
85 |
f |
[CA]A:511 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.011 |
59 |
65 |
|
[CA]A:514 |
1 |
1 |
85 |
f |
[CA]A:513 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.010 |
60 |
66 |
|
B |
2 |
1 |
24558 |
◊ |
A |
x,y-1,z-1 |
1_544 |
2 |
1 |
25112 |
8.3 |
-0.3 |
0.388 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[EDO]B:520 |
1 |
1 |
186 |
f |
[CA]B:512 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
62 |
68 |
|
[FUC]B:503 |
2 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
24558 |
6.0 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[CA]B:514 |
1 |
1 |
85 |
f |
[CA]B:513 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
64 |
70 |
|
[NAG]A:502 |
1 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
25112 |
3.9 |
0.2 |
0.473 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
[FUC]A:509 |
2 |
1 |
278 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
25112 |
3.3 |
0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
66 |
72 |
|
[FUC]A:505 |
1 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
25112 |
1.7 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
|