## |
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 |
133 |
37 |
5863 |
◊ |
C |
x,y,z |
1_555 |
129 |
36 |
5897 |
1259.4 |
-17.3 |
0.043 |
13 |
0 |
0 |
0.357 |
2 |
|
B |
131 |
37 |
5855 |
◊ |
A |
x,y,z |
1_555 |
131 |
35 |
5964 |
1240.3 |
-18.7 |
0.022 |
12 |
0 |
0 |
0.357 |
Average: |
1249.8 |
-18.0 |
0.032 |
13 |
0 |
0 |
0.357 |
2 |
3 |
|
C |
49 |
14 |
5897 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
5855 |
488.8 |
-1.4 |
0.590 |
12 |
0 |
0 |
0.081 |
4 |
|
D |
49 |
14 |
5863 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
5964 |
482.4 |
-1.2 |
0.607 |
12 |
0 |
0 |
0.081 |
Average: |
485.6 |
-1.3 |
0.598 |
12 |
0 |
0 |
0.081 |
3 |
5 |
|
C |
40 |
15 |
5897 |
◊ |
B |
x-1,y,z |
1_455 |
38 |
13 |
5855 |
387.5 |
-2.0 |
0.489 |
8 |
0 |
0 |
0.086 |
4 |
6 |
|
A |
27 |
9 |
5964 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
13 |
5897 |
316.2 |
1.0 |
0.701 |
6 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
31 |
12 |
5964 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
31 |
9 |
5863 |
282.5 |
1.3 |
0.828 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
21 |
7 |
5964 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
22 |
9 |
5855 |
206.6 |
1.8 |
0.876 |
5 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
22 |
12 |
5897 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
5964 |
205.6 |
-2.4 |
0.292 |
2 |
4 |
0 |
0.046 |
10 |
|
D |
22 |
11 |
5863 |
◊ |
B |
x,y,z |
1_555 |
21 |
11 |
5855 |
194.0 |
-2.1 |
0.306 |
2 |
4 |
0 |
0.046 |
Average: |
199.8 |
-2.3 |
0.299 |
2 |
4 |
0 |
0.046 |
8 |
11 |
|
D |
20 |
9 |
5863 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
5 |
5855 |
144.6 |
-0.8 |
0.501 |
1 |
0 |
0 |
0.008 |
9 |
12 |
|
[FUC]A:1115 |
11 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
5964 |
137.5 |
2.0 |
0.340 |
1 |
0 |
0 |
0.000 |
13 |
|
[FUC]C:1118 |
10 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
22 |
12 |
5897 |
126.8 |
1.9 |
0.336 |
2 |
0 |
0 |
0.000 |
14 |
|
[FUC]B:1115 |
10 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
5855 |
126.6 |
1.9 |
0.322 |
2 |
0 |
0 |
0.000 |
15 |
|
[FUC]D:1115 |
10 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
5863 |
124.2 |
1.9 |
0.338 |
2 |
0 |
0 |
0.000 |
Average: |
128.8 |
1.9 |
0.334 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
C |
13 |
6 |
5897 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
7 |
5964 |
116.2 |
-0.8 |
0.493 |
0 |
0 |
0 |
0.005 |
11 |
17 |
|
[NAG]D:1116 |
9 |
1 |
361 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
5863 |
102.5 |
1.9 |
0.379 |
2 |
0 |
0 |
0.000 |
18 |
|
[NAG]B:1116 |
9 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
5855 |
100.5 |
1.9 |
0.381 |
2 |
0 |
0 |
0.000 |
Average: |
101.5 |
1.9 |
0.380 |
2 |
0 |
0 |
0.000 |
12 |
19 |
|
[NAG]C:1119 |
9 |
1 |
361 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
5897 |
101.9 |
2.0 |
0.375 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
A |
10 |
3 |
5964 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
7 |
5855 |
90.3 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[SO4]C:1115 |
5 |
1 |
186 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
5 |
5855 |
69.9 |
-10.4 |
0.710 |
1 |
0 |
0 |
0.168 |
15 |
22 |
|
[SO4]C:1115 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
5897 |
69.5 |
-9.8 |
0.783 |
4 |
0 |
0 |
0.178 |
16 |
23 |
|
[TA5]D:1117 |
6 |
1 |
235 |
cf |
[NAG]D:1116 |
x,y,z |
1_555 |
7 |
1 |
361 |
65.0 |
1.1 |
0.302 |
0 |
0 |
0 |
0.000 |
24 |
|
[TA5]C:1120 |
6 |
1 |
237 |
cf |
[NAG]C:1119 |
x,y,z |
1_555 |
9 |
1 |
361 |
63.9 |
1.0 |
0.223 |
0 |
0 |
0 |
0.000 |
25 |
|
[TA5]B:1117 |
6 |
1 |
236 |
cf |
[NAG]B:1116 |
x,y,z |
1_555 |
7 |
1 |
360 |
63.6 |
1.1 |
0.302 |
0 |
0 |
0 |
0.000 |
Average: |
64.2 |
1.0 |
0.276 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[NAG]C:1119 |
6 |
1 |
361 |
cf |
[FUC]C:1118 |
x,y,z |
1_555 |
7 |
1 |
279 |
62.8 |
1.5 |
0.123 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]B:1116 |
6 |
1 |
360 |
cf |
[FUC]B:1115 |
x,y,z |
1_555 |
7 |
1 |
280 |
62.2 |
1.4 |
0.133 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]D:1116 |
6 |
1 |
361 |
cf |
[FUC]D:1115 |
x,y,z |
1_555 |
6 |
1 |
279 |
61.2 |
1.4 |
0.161 |
0 |
0 |
0 |
0.000 |
Average: |
62.0 |
1.4 |
0.139 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
B |
4 |
1 |
5855 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
10 |
3 |
5863 |
56.4 |
0.4 |
0.718 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[TA5]C:1120 |
4 |
1 |
237 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
9 |
3 |
5863 |
54.3 |
0.8 |
0.748 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
D |
9 |
4 |
5863 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
3 |
5897 |
54.0 |
0.5 |
0.759 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
A |
3 |
2 |
5964 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
5863 |
52.9 |
-0.2 |
0.434 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[NAG]C:1119 |
4 |
1 |
361 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
10 |
4 |
5863 |
50.5 |
1.8 |
0.574 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[FUC]A:1115 |
5 |
1 |
289 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
5863 |
44.5 |
0.6 |
0.311 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[FUC]A:1115 |
4 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5855 |
34.4 |
0.3 |
0.328 |
0 |
0 |
0 |
0.000 |
36 |
|
[FUC]C:1118 |
4 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5863 |
33.8 |
0.3 |
0.312 |
0 |
0 |
0 |
0.000 |
37 |
|
[FUC]B:1115 |
4 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5964 |
33.4 |
0.3 |
0.310 |
0 |
0 |
0 |
0.000 |
38 |
|
[FUC]D:1115 |
4 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5897 |
32.2 |
0.3 |
0.311 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
0.3 |
0.315 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[CA]A:1117 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
5964 |
28.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.240 |
40 |
|
[CA]C:1117 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
5897 |
28.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.240 |
41 |
|
[CA]D:1119 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
5863 |
28.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.240 |
42 |
|
[CA]B:1118 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
5855 |
28.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
28.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.240 |
26 |
43 |
|
[CA]C:1116 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
5897 |
25.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.184 |
44 |
|
[CA]A:1116 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
5964 |
25.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.184 |
45 |
|
[CA]B:1119 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
5855 |
25.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.184 |
46 |
|
[CA]D:1118 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
5863 |
25.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
25.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.184 |
27 |
47 |
|
[CA]A:1117 |
1 |
1 |
85 |
f |
[FUC]A:1115 |
x,y,z |
1_555 |
4 |
1 |
289 |
23.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.108 |
48 |
|
[CA]B:1118 |
1 |
1 |
85 |
f |
[FUC]B:1115 |
x,y,z |
1_555 |
3 |
1 |
280 |
22.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.108 |
49 |
|
[CA]D:1119 |
1 |
1 |
85 |
f |
[FUC]D:1115 |
x,y,z |
1_555 |
4 |
1 |
279 |
22.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.108 |
50 |
|
[CA]C:1117 |
1 |
1 |
85 |
f |
[FUC]C:1118 |
x,y,z |
1_555 |
3 |
1 |
279 |
22.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
22.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.108 |
28 |
51 |
|
[CA]A:1116 |
1 |
1 |
85 |
f |
[FUC]A:1115 |
x,y,z |
1_555 |
3 |
1 |
289 |
22.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.105 |
52 |
|
[CA]C:1116 |
1 |
1 |
85 |
f |
[FUC]C:1118 |
x,y,z |
1_555 |
4 |
1 |
279 |
21.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.105 |
53 |
|
[CA]B:1119 |
1 |
1 |
85 |
f |
[FUC]B:1115 |
x,y,z |
1_555 |
3 |
1 |
280 |
21.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.105 |
54 |
|
[CA]D:1118 |
1 |
1 |
85 |
f |
[FUC]D:1115 |
x,y,z |
1_555 |
3 |
1 |
279 |
20.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
21.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.105 |
29 |
55 |
|
[CA]C:1116 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
5863 |
18.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.063 |
56 |
|
[CA]B:1119 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5964 |
17.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.063 |
57 |
|
[CA]D:1118 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5897 |
17.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.063 |
58 |
|
[CA]A:1116 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5855 |
17.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
17.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.063 |
30 |
59 |
|
[SO4]C:1115 |
2 |
1 |
186 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
2 |
5863 |
10.3 |
-1.2 |
0.795 |
0 |
0 |
0 |
0.000 |
31 |
60 |
|
A |
2 |
1 |
5964 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
5964 |
8.8 |
0.3 |
0.746 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
A |
1 |
1 |
5964 |
◊ |
[FUC]D:1115 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
279 |
8.4 |
-0.0 |
0.244 |
0 |
0 |
0 |
0.000 |
33 |
62 |
|
[TA5]D:1117 |
2 |
1 |
235 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
5863 |
7.5 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
34 |
63 |
|
[CA]A:1117 |
1 |
1 |
85 |
f |
[CA]A:1116 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.031 |
35 |
64 |
|
[CA]B:1119 |
1 |
1 |
85 |
f |
[CA]B:1118 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
36 |
65 |
|
[CA]D:1119 |
1 |
1 |
85 |
f |
[CA]D:1118 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.028 |
37 |
66 |
|
[CA]C:1117 |
1 |
1 |
85 |
f |
[CA]C:1116 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.032 |
38 |
67 |
|
[TA5]B:1117 |
2 |
1 |
236 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
5855 |
6.2 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
68 |
|
[TA5]C:1120 |
1 |
1 |
237 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
5897 |
5.7 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
Average: |
5.9 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
39 |
69 |
|
C |
1 |
1 |
5897 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
5863 |
1.7 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
40 |
70 |
|
[NAG]C:1119 |
1 |
1 |
361 |
f |
[CA]C:1117 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
71 |
|
[NAG]D:1116 |
1 |
1 |
361 |
f |
[CA]D:1119 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
72 |
|
[NAG]B:1116 |
1 |
1 |
360 |
f |
[CA]B:1118 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
|