| ## |
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 |
|
L |
102 |
28 |
5858 |
◊ |
H |
x,y,z |
1_555 |
101 |
26 |
6528 |
894.4 |
-10.3 |
0.286 |
10 |
0 |
0 |
1.000 |
2 |
|
M |
101 |
27 |
5903 |
◊ |
I |
x,y,z |
1_555 |
96 |
26 |
6617 |
890.2 |
-9.8 |
0.313 |
14 |
2 |
0 |
1.000 |
| Average: |
892.3 |
-10.1 |
0.300 |
12 |
1 |
0 |
1.000 |
| 2 |
3 |
|
B |
78 |
23 |
11683 |
◊ |
A |
x,y,z |
1_555 |
79 |
23 |
11716 |
695.7 |
0.2 |
0.746 |
9 |
3 |
0 |
0.000 |
| 3 |
4 |
|
B |
42 |
13 |
11683 |
◊ |
I |
x,y,z |
1_555 |
55 |
14 |
6617 |
481.2 |
-3.0 |
0.457 |
9 |
2 |
0 |
1.000 |
5 |
|
A |
48 |
14 |
11716 |
◊ |
H |
x,y,z |
1_555 |
54 |
14 |
6528 |
479.6 |
-3.2 |
0.452 |
10 |
2 |
0 |
1.000 |
| Average: |
480.4 |
-3.1 |
0.455 |
10 |
2 |
0 |
1.000 |
| 4 |
6 |
|
A |
52 |
14 |
11716 |
◊ |
L |
x,y,z |
1_555 |
51 |
14 |
5858 |
438.1 |
-2.2 |
0.576 |
11 |
0 |
0 |
1.000 |
7 |
|
B |
48 |
15 |
11683 |
◊ |
M |
x,y,z |
1_555 |
50 |
13 |
5903 |
415.4 |
-1.1 |
0.673 |
11 |
0 |
0 |
1.000 |
| Average: |
426.8 |
-1.7 |
0.624 |
11 |
0 |
0 |
1.000 |
| 5 |
8 |
|
B |
42 |
12 |
11683 |
◊ |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
42 |
13 |
5858 |
385.0 |
-1.1 |
0.645 |
6 |
1 |
0 |
0.000 |
| 6 |
9 |
|
A |
24 |
8 |
11716 |
◊ |
M |
-x,y,-z |
2_555 |
25 |
9 |
5903 |
252.7 |
-1.1 |
0.576 |
4 |
4 |
0 |
0.000 |
| 7 |
10 |
|
A |
20 |
6 |
11716 |
◊ |
M |
x,y,z |
1_555 |
18 |
7 |
5903 |
156.3 |
1.1 |
0.799 |
3 |
0 |
0 |
0.000 |
11 |
|
B |
14 |
6 |
11683 |
◊ |
L |
x,y,z |
1_555 |
11 |
6 |
5858 |
113.9 |
2.0 |
0.896 |
0 |
0 |
0 |
0.000 |
| Average: |
135.1 |
1.5 |
0.848 |
2 |
0 |
0 |
0.000 |
| 8 |
12 |
|
A |
20 |
6 |
11716 |
◊ |
I |
-x,y,-z |
2_555 |
14 |
3 |
6617 |
151.2 |
0.3 |
0.630 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[NAG]B:801 |
12 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
20 |
6 |
11683 |
150.9 |
3.9 |
0.379 |
3 |
0 |
0 |
0.000 |
14 |
|
[NAG]A:801 |
13 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
21 |
6 |
11716 |
145.4 |
2.5 |
0.269 |
2 |
0 |
0 |
0.000 |
| Average: |
148.2 |
3.2 |
0.324 |
3 |
0 |
0 |
0.000 |
| 10 |
15 |
|
A |
15 |
6 |
11716 |
◊ |
M |
-x,y-1,-z |
2_545 |
13 |
4 |
5903 |
142.0 |
0.7 |
0.768 |
2 |
2 |
0 |
0.000 |
| 11 |
16 |
|
I |
13 |
6 |
6617 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
12 |
6 |
6528 |
140.4 |
-2.9 |
0.153 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[MAN]B:806 |
8 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11683 |
131.5 |
1.7 |
0.325 |
3 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[MAN]A:806 |
8 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11716 |
127.1 |
1.6 |
0.328 |
5 |
0 |
0 |
0.159 |
| 14 |
19 |
|
M |
8 |
5 |
5903 |
◊ |
M |
-x,y,-z |
2_555 |
8 |
5 |
5903 |
107.2 |
2.2 |
0.940 |
4 |
4 |
0 |
0.000 |
| 15 |
20 |
|
B |
14 |
5 |
11683 |
x |
B |
x,y-1,z |
1_545 |
13 |
7 |
11683 |
99.1 |
-0.7 |
0.490 |
2 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[FUC]B:810 |
7 |
1 |
278 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
6617 |
93.6 |
1.2 |
0.310 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[FUC]A:810 |
7 |
1 |
278 |
◊ |
H |
x,y,z |
1_555 |
12 |
3 |
6528 |
84.4 |
2.1 |
0.413 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[NAG]B:802 |
6 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11683 |
80.4 |
2.1 |
0.487 |
1 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[NAG]A:802 |
6 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11716 |
78.9 |
2.3 |
0.499 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[NAG]B:809 |
9 |
1 |
363 |
cf |
[NAG]B:808 |
x,y,z |
1_555 |
7 |
1 |
360 |
75.2 |
1.7 |
0.069 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[NAG]B:802 |
9 |
1 |
362 |
cf |
[NAG]B:801 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.8 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]A:802 |
9 |
1 |
363 |
cf |
[NAG]A:801 |
x,y,z |
1_555 |
7 |
1 |
355 |
70.3 |
1.3 |
0.070 |
1 |
0 |
0 |
0.000 |
| Average: |
71.1 |
1.4 |
0.080 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
A |
8 |
3 |
11716 |
x |
A |
x,y-1,z |
1_545 |
5 |
3 |
11716 |
71.5 |
-1.3 |
0.202 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[NAG]A:809 |
9 |
1 |
351 |
cf |
[NAG]A:808 |
x,y,z |
1_555 |
6 |
1 |
363 |
68.5 |
1.5 |
0.076 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[BMA]A:803 |
6 |
1 |
295 |
cf |
[NAG]A:802 |
x,y,z |
1_555 |
6 |
1 |
363 |
62.7 |
1.5 |
0.135 |
1 |
0 |
0 |
0.000 |
31 |
|
[BMA]B:803 |
5 |
1 |
294 |
cf |
[NAG]B:802 |
x,y,z |
1_555 |
6 |
1 |
362 |
62.1 |
1.5 |
0.154 |
1 |
0 |
0 |
0.000 |
| Average: |
62.4 |
1.5 |
0.144 |
1 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[MAN]B:807 |
6 |
1 |
289 |
cf |
[BMA]B:803 |
x,y,z |
1_555 |
5 |
1 |
294 |
62.1 |
2.2 |
0.213 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[FUC]A:810 |
6 |
1 |
278 |
cf |
[NAG]A:808 |
x,y,z |
1_555 |
7 |
1 |
363 |
61.4 |
1.8 |
0.119 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[FUC]B:810 |
7 |
1 |
278 |
cf |
[NAG]B:808 |
x,y,z |
1_555 |
7 |
1 |
360 |
61.0 |
1.9 |
0.115 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[MAN]A:807 |
6 |
1 |
290 |
cf |
[BMA]A:803 |
x,y,z |
1_555 |
6 |
1 |
295 |
60.8 |
2.3 |
0.202 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[NAG]B:808 |
5 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
4 |
1 |
11683 |
59.5 |
1.4 |
0.443 |
1 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[NAG]A:808 |
7 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
11716 |
58.6 |
1.6 |
0.293 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[MAN]A:806 |
6 |
1 |
292 |
cf |
[MAN]A:804 |
x,y,z |
1_555 |
5 |
1 |
288 |
58.5 |
2.5 |
0.250 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
I |
12 |
8 |
6617 |
◊ |
M |
x,y-1,z |
1_545 |
10 |
4 |
5903 |
58.1 |
-0.6 |
0.565 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[MAN]A:805 |
6 |
1 |
294 |
cf |
[MAN]A:804 |
x,y,z |
1_555 |
5 |
1 |
288 |
57.9 |
2.4 |
0.240 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[MAN]B:806 |
5 |
1 |
292 |
cf |
[MAN]B:804 |
x,y,z |
1_555 |
6 |
1 |
290 |
57.2 |
2.3 |
0.215 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[MAN]B:805 |
6 |
1 |
294 |
cf |
[MAN]B:804 |
x,y,z |
1_555 |
4 |
1 |
290 |
56.9 |
2.4 |
0.291 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
B |
5 |
2 |
11683 |
◊ |
M |
x,y-1,z |
1_545 |
9 |
5 |
5903 |
55.8 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[MAN]A:804 |
6 |
1 |
288 |
cf |
[BMA]A:803 |
x,y,z |
1_555 |
4 |
1 |
295 |
51.2 |
2.3 |
0.257 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
[MAN]B:804 |
5 |
1 |
290 |
cf |
[BMA]B:803 |
x,y,z |
1_555 |
3 |
1 |
294 |
50.5 |
2.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 39 |
46 |
|
[MAN]A:806 |
5 |
1 |
292 |
f |
[NAG]A:802 |
x,y,z |
1_555 |
5 |
1 |
363 |
48.6 |
2.2 |
0.244 |
0 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[FUC]A:810 |
5 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11716 |
48.0 |
0.7 |
0.332 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[MAN]A:804 |
6 |
1 |
288 |
f |
[NAG]A:802 |
x,y,z |
1_555 |
5 |
1 |
363 |
41.8 |
1.1 |
0.139 |
0 |
0 |
0 |
0.000 |
| 42 |
49 |
|
[MAN]B:806 |
4 |
1 |
292 |
f |
[NAG]B:802 |
x,y,z |
1_555 |
5 |
1 |
362 |
37.3 |
1.5 |
0.232 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[MAN]B:804 |
4 |
1 |
290 |
f |
[NAG]B:802 |
x,y,z |
1_555 |
5 |
1 |
362 |
34.5 |
0.9 |
0.147 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
[FUC]B:810 |
5 |
1 |
278 |
f |
[NAG]B:809 |
x,y,z |
1_555 |
5 |
1 |
363 |
33.4 |
1.4 |
0.127 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[FUC]A:810 |
4 |
1 |
278 |
f |
[NAG]A:809 |
x,y,z |
1_555 |
5 |
1 |
351 |
32.6 |
0.7 |
0.123 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
A |
4 |
1 |
11716 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
6617 |
30.5 |
0.7 |
0.788 |
1 |
2 |
0 |
0.000 |
54 |
|
B |
4 |
1 |
11683 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6528 |
29.4 |
1.4 |
0.847 |
1 |
1 |
0 |
0.000 |
| Average: |
29.9 |
1.0 |
0.817 |
1 |
2 |
0 |
0.000 |
| 47 |
55 |
|
[NAG]B:809 |
2 |
1 |
363 |
◊ |
M |
x,y-1,z |
1_545 |
3 |
2 |
5903 |
26.7 |
0.5 |
0.453 |
0 |
0 |
0 |
0.000 |
| 48 |
56 |
|
[FUC]B:810 |
4 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
11683 |
25.1 |
0.5 |
0.275 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
L |
4 |
2 |
5858 |
x |
L |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
5858 |
24.6 |
0.4 |
0.772 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
B |
3 |
2 |
11683 |
◊ |
I |
-x,y,-z+1 |
2_556 |
4 |
3 |
6617 |
18.9 |
0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
| 51 |
59 |
|
H |
2 |
1 |
6528 |
◊ |
[MAN]A:805 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
294 |
15.1 |
0.7 |
0.413 |
0 |
0 |
0 |
0.000 |
| 52 |
60 |
|
[MAN]A:806 |
1 |
1 |
292 |
f |
[BMA]A:803 |
x,y,z |
1_555 |
1 |
1 |
295 |
13.7 |
0.6 |
0.340 |
0 |
0 |
0 |
0.000 |
| 53 |
61 |
|
[MAN]A:805 |
2 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
11716 |
13.3 |
0.0 |
0.339 |
0 |
0 |
0 |
0.000 |
| 54 |
62 |
|
[MAN]B:806 |
1 |
1 |
292 |
f |
[BMA]B:803 |
x,y,z |
1_555 |
1 |
1 |
294 |
11.3 |
0.5 |
0.340 |
0 |
0 |
0 |
0.000 |
| 55 |
63 |
|
[MAN]B:805 |
1 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
11683 |
10.0 |
0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
| 56 |
64 |
|
[MAN]A:804 |
2 |
1 |
288 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11716 |
5.3 |
-0.1 |
0.382 |
0 |
0 |
0 |
0.036 |
65 |
|
[MAN]B:804 |
1 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11683 |
3.8 |
-0.1 |
0.328 |
0 |
0 |
0 |
0.036 |
| Average: |
4.5 |
-0.1 |
0.355 |
0 |
0 |
0 |
0.036 |
| 57 |
66 |
|
H |
1 |
1 |
6528 |
◊ |
[MAN]A:807 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
290 |
5.1 |
0.0 |
0.238 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
[MAN]B:807 |
1 |
1 |
289 |
f |
[NAG]B:802 |
x,y,z |
1_555 |
1 |
1 |
362 |
4.6 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 59 |
68 |
|
[MAN]A:807 |
1 |
1 |
290 |
f |
[NAG]A:802 |
x,y,z |
1_555 |
1 |
1 |
363 |
4.4 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
[MAN]B:805 |
1 |
1 |
294 |
f |
[BMA]B:803 |
x,y,z |
1_555 |
1 |
1 |
294 |
2.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
| 61 |
70 |
|
I |
1 |
1 |
6617 |
◊ |
L |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
5858 |
2.4 |
-0.1 |
0.438 |
0 |
0 |
0 |
0.000 |
| 62 |
71 |
|
L |
1 |
1 |
5858 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
11683 |
0.5 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
|