| ## |
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 |
105 |
32 |
23686 |
◊ |
B |
x,y,z |
1_555 |
104 |
33 |
23958 |
1025.3 |
-8.1 |
0.337 |
7 |
2 |
0 |
0.000 |
2 |
|
A |
91 |
26 |
23909 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
92 |
25 |
21558 |
937.5 |
-7.4 |
0.324 |
3 |
0 |
0 |
0.000 |
| Average: |
981.4 |
-7.8 |
0.331 |
5 |
1 |
0 |
0.000 |
| 2 |
3 |
|
E |
80 |
20 |
6396 |
◊ |
B |
x,y,z |
1_555 |
83 |
23 |
23958 |
762.3 |
-6.9 |
0.276 |
11 |
1 |
0 |
0.000 |
4 |
|
F |
87 |
26 |
6275 |
◊ |
A |
x,y,z |
1_555 |
86 |
21 |
23909 |
756.2 |
-4.0 |
0.467 |
14 |
1 |
0 |
0.000 |
5 |
|
G |
78 |
21 |
6391 |
◊ |
D |
x,y,z |
1_555 |
88 |
23 |
23686 |
738.5 |
-6.2 |
0.362 |
7 |
4 |
0 |
0.000 |
6 |
|
H |
69 |
19 |
6155 |
◊ |
C |
x,y,z |
1_555 |
71 |
19 |
21558 |
628.5 |
-4.4 |
0.498 |
9 |
1 |
0 |
0.000 |
| Average: |
721.4 |
-5.4 |
0.401 |
10 |
2 |
0 |
0.000 |
| 3 |
7 |
|
D |
60 |
19 |
23686 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
42 |
13 |
23958 |
489.1 |
-2.0 |
0.439 |
3 |
1 |
0 |
0.000 |
| 4 |
8 |
|
C |
51 |
17 |
21558 |
◊ |
A |
x,y,z |
1_555 |
48 |
18 |
23909 |
413.9 |
0.4 |
0.659 |
5 |
4 |
0 |
0.000 |
| 5 |
9 |
|
E |
31 |
10 |
6396 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
11 |
23958 |
374.7 |
-5.5 |
0.097 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
39 |
11 |
23909 |
◊ |
F |
x-1,y,z |
1_455 |
31 |
11 |
6275 |
329.5 |
-5.4 |
0.133 |
4 |
0 |
0 |
0.000 |
| Average: |
352.1 |
-5.5 |
0.115 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
G |
44 |
13 |
6391 |
◊ |
H |
-x,y-1/2,-z+2 |
2_547 |
41 |
15 |
6155 |
337.4 |
-2.6 |
0.523 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
G |
30 |
10 |
6391 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
31 |
9 |
21558 |
271.5 |
-1.1 |
0.552 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
E |
27 |
9 |
6396 |
◊ |
F |
x-1,y,z+1 |
1_456 |
20 |
7 |
6275 |
212.5 |
0.7 |
0.747 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
A |
22 |
7 |
23909 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
6 |
23958 |
198.3 |
-1.4 |
0.461 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
D |
14 |
4 |
23686 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
21 |
9 |
6155 |
177.3 |
0.9 |
0.620 |
2 |
0 |
0 |
0.000 |
| 11 |
16 |
|
G |
17 |
5 |
6391 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
17 |
5 |
21558 |
171.4 |
-1.3 |
0.450 |
2 |
0 |
0 |
0.000 |
| 12 |
17 |
|
F |
19 |
9 |
6275 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
8 |
23686 |
151.6 |
2.7 |
0.898 |
2 |
1 |
0 |
0.000 |
| 13 |
18 |
|
[MAN]B:607 |
9 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
28 |
9 |
21558 |
142.2 |
3.1 |
0.430 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
D |
15 |
7 |
23686 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
16 |
6 |
21558 |
136.4 |
0.7 |
0.569 |
2 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[MAN]D:604 |
8 |
1 |
293 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
5 |
21558 |
117.1 |
3.1 |
0.500 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[NAG]B:601 |
7 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
15 |
5 |
23958 |
105.1 |
3.3 |
0.570 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[FUC]D:606 |
9 |
1 |
281 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
7 |
21558 |
102.9 |
1.3 |
0.243 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[FUC]A:604 |
8 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
23909 |
102.2 |
2.2 |
0.386 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[NAG]A:601 |
8 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
23909 |
101.0 |
2.8 |
0.490 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[NAG]D:607 |
9 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
23686 |
97.1 |
2.3 |
0.389 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[NAG]D:601 |
10 |
1 |
361 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
5 |
21558 |
96.8 |
0.9 |
0.180 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[BMA]C:603 |
6 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
23958 |
93.6 |
1.3 |
0.342 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[NAG]B:608 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
8 |
3 |
23958 |
89.0 |
2.4 |
0.346 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[NAG]C:606 |
7 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
21558 |
88.4 |
3.2 |
0.556 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[NAG]A:602 |
8 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
23909 |
86.5 |
2.0 |
0.361 |
2 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[FUC]D:605 |
6 |
1 |
278 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
4 |
21558 |
85.6 |
1.3 |
0.331 |
1 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[BMA]B:603 |
7 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
21558 |
83.9 |
1.3 |
0.330 |
2 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[NAG]C:602 |
8 |
1 |
361 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
8 |
1 |
357 |
76.2 |
1.4 |
0.059 |
2 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[BMA]D:603 |
8 |
1 |
292 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
11 |
5 |
21558 |
75.8 |
1.7 |
0.292 |
1 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[NAG]C:601 |
6 |
1 |
357 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
21558 |
75.0 |
1.9 |
0.413 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[FUC]B:605 |
6 |
1 |
281 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
7 |
1 |
357 |
74.5 |
2.3 |
0.130 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[NAG]A:603 |
8 |
1 |
359 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
5 |
1 |
363 |
73.6 |
2.3 |
0.165 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[MAN]B:604 |
6 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
21558 |
69.9 |
1.3 |
0.388 |
1 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[NAG]B:602 |
9 |
1 |
362 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
5 |
1 |
357 |
67.7 |
1.3 |
0.085 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[FUC]D:606 |
7 |
1 |
281 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
8 |
1 |
361 |
67.6 |
2.5 |
0.131 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[NAG]D:602 |
9 |
1 |
363 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
7 |
1 |
361 |
66.6 |
1.2 |
0.069 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[FUC]D:606 |
9 |
1 |
281 |
f |
[NAG]D:602 |
x,y,z |
1_555 |
8 |
1 |
363 |
65.0 |
2.9 |
0.131 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[BMA]C:603 |
5 |
1 |
293 |
cf |
[NAG]C:602 |
x,y,z |
1_555 |
8 |
1 |
361 |
64.0 |
2.2 |
0.147 |
1 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[NAG]D:601 |
7 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
23686 |
63.9 |
2.0 |
0.423 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[BMA]D:603 |
6 |
1 |
292 |
cf |
[NAG]D:602 |
x,y,z |
1_555 |
4 |
1 |
363 |
62.5 |
1.4 |
0.151 |
1 |
0 |
0 |
0.000 |
| 41 |
46 |
|
D |
9 |
2 |
23686 |
◊ |
[NAG]B:608 |
-x+1,y-1/2,-z+3 |
2_648 |
6 |
1 |
361 |
61.6 |
1.0 |
0.311 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[MAN]C:604 |
6 |
1 |
293 |
cf |
[BMA]C:603 |
x,y,z |
1_555 |
6 |
1 |
293 |
60.9 |
2.7 |
0.205 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[FUC]B:606 |
6 |
1 |
282 |
cf |
[NAG]B:601 |
x,y,z |
1_555 |
7 |
1 |
357 |
59.4 |
2.4 |
0.153 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[MAN]D:604 |
6 |
1 |
293 |
f |
[NAG]D:602 |
x,y,z |
1_555 |
5 |
1 |
363 |
57.8 |
2.0 |
0.190 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[FUC]B:605 |
5 |
1 |
281 |
f |
[NAG]B:602 |
x,y,z |
1_555 |
7 |
1 |
362 |
57.2 |
1.7 |
0.140 |
1 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[BMA]B:603 |
5 |
1 |
293 |
cf |
[NAG]B:602 |
x,y,z |
1_555 |
6 |
1 |
362 |
56.1 |
1.7 |
0.165 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[FUC]D:605 |
5 |
1 |
278 |
cf |
[NAG]D:601 |
x,y,z |
1_555 |
6 |
1 |
361 |
55.7 |
2.2 |
0.237 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[MAN]B:604 |
7 |
1 |
293 |
cf |
[BMA]B:603 |
x,y,z |
1_555 |
6 |
1 |
293 |
54.9 |
2.5 |
0.189 |
0 |
0 |
0 |
0.000 |
| 49 |
54 |
|
G |
3 |
2 |
6391 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
23909 |
54.1 |
1.2 |
0.836 |
1 |
1 |
0 |
0.000 |
| 50 |
55 |
|
[FUC]C:605 |
5 |
1 |
282 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
5 |
1 |
357 |
52.5 |
2.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[FUC]A:604 |
5 |
1 |
278 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
5 |
1 |
363 |
51.0 |
2.2 |
0.240 |
0 |
0 |
0 |
0.000 |
| 52 |
57 |
|
[MAN]D:604 |
6 |
1 |
293 |
cf |
[BMA]D:603 |
x,y,z |
1_555 |
4 |
1 |
292 |
50.6 |
2.4 |
0.274 |
0 |
0 |
0 |
0.000 |
| 53 |
58 |
|
[MAN]B:607 |
5 |
1 |
293 |
cf |
[BMA]B:603 |
x,y,z |
1_555 |
3 |
1 |
293 |
50.3 |
2.6 |
0.382 |
0 |
0 |
0 |
0.000 |
| 54 |
59 |
|
[MAN]B:604 |
7 |
1 |
293 |
◊ |
[FUC]C:605 |
x,y,z |
1_555 |
6 |
1 |
282 |
49.1 |
1.9 |
0.139 |
0 |
0 |
0 |
0.000 |
| 55 |
60 |
|
[MAN]C:604 |
6 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
23958 |
48.5 |
1.1 |
0.301 |
0 |
0 |
0 |
0.000 |
| 56 |
61 |
|
[MAN]B:604 |
5 |
1 |
293 |
◊ |
[NAG]C:601 |
x,y,z |
1_555 |
6 |
1 |
357 |
47.5 |
1.1 |
0.103 |
1 |
0 |
0 |
0.000 |
| 57 |
62 |
|
[FUC]C:605 |
5 |
1 |
282 |
f |
[NAG]C:602 |
x,y,z |
1_555 |
4 |
1 |
361 |
44.8 |
2.8 |
0.372 |
0 |
0 |
0 |
0.000 |
| 58 |
63 |
|
[FUC]D:605 |
4 |
1 |
278 |
f |
[NAG]D:602 |
x,y,z |
1_555 |
7 |
1 |
363 |
44.5 |
2.0 |
0.228 |
0 |
0 |
0 |
0.000 |
| 59 |
64 |
|
[FUC]A:604 |
5 |
1 |
278 |
f |
[NAG]A:603 |
x,y,z |
1_555 |
4 |
1 |
359 |
41.9 |
2.0 |
0.255 |
0 |
0 |
0 |
0.000 |
| 60 |
65 |
|
[MAN]C:604 |
4 |
1 |
293 |
f |
[NAG]C:602 |
x,y,z |
1_555 |
6 |
1 |
361 |
40.2 |
0.7 |
0.100 |
1 |
0 |
0 |
0.000 |
| 61 |
66 |
|
[MAN]B:604 |
4 |
1 |
293 |
◊ |
[NAG]C:602 |
x,y,z |
1_555 |
6 |
1 |
361 |
37.8 |
0.8 |
0.108 |
0 |
0 |
0 |
0.000 |
| 62 |
67 |
|
[NAG]D:602 |
2 |
1 |
363 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
4 |
21558 |
37.2 |
0.7 |
0.592 |
0 |
0 |
0 |
0.000 |
| 63 |
68 |
|
[FUC]B:606 |
3 |
1 |
282 |
f |
[NAG]B:602 |
x,y,z |
1_555 |
5 |
1 |
362 |
35.4 |
1.5 |
0.269 |
0 |
0 |
0 |
0.000 |
| 64 |
69 |
|
[BMA]B:603 |
5 |
1 |
293 |
◊ |
[FUC]C:605 |
x,y,z |
1_555 |
4 |
1 |
282 |
34.1 |
1.0 |
0.115 |
0 |
0 |
0 |
0.000 |
| 65 |
70 |
|
B |
5 |
3 |
23958 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
23909 |
31.2 |
-0.4 |
0.515 |
0 |
0 |
0 |
0.000 |
| 66 |
71 |
|
[NAG]A:603 |
4 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
23958 |
30.2 |
0.6 |
0.260 |
1 |
0 |
0 |
0.000 |
| 67 |
72 |
|
B |
3 |
1 |
23958 |
x |
B |
x-1,y,z |
1_455 |
3 |
1 |
23958 |
29.0 |
-0.0 |
0.431 |
0 |
0 |
0 |
0.000 |
| 68 |
73 |
|
D |
4 |
2 |
23686 |
◊ |
C |
-x+2,y-1/2,-z+3 |
2_748 |
4 |
2 |
21558 |
26.0 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| 69 |
74 |
|
[FUC]B:606 |
2 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
23958 |
23.7 |
0.4 |
0.424 |
0 |
0 |
0 |
0.000 |
| 70 |
75 |
|
[FUC]C:605 |
3 |
1 |
282 |
◊ |
[NAG]B:602 |
x,y,z |
1_555 |
2 |
1 |
362 |
22.9 |
0.9 |
0.447 |
0 |
0 |
0 |
0.000 |
| 71 |
76 |
|
[MAN]B:604 |
3 |
1 |
293 |
f |
[NAG]B:602 |
x,y,z |
1_555 |
3 |
1 |
362 |
19.4 |
0.9 |
0.262 |
0 |
0 |
0 |
0.000 |
| 72 |
77 |
|
C |
3 |
3 |
21558 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
23958 |
17.5 |
-0.4 |
0.420 |
0 |
0 |
0 |
0.000 |
| 73 |
78 |
|
[NAG]A:601 |
2 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
23958 |
17.2 |
0.3 |
0.371 |
0 |
0 |
0 |
0.000 |
| 74 |
79 |
|
[BMA]D:603 |
2 |
1 |
292 |
f |
[FUC]D:606 |
x,y,z |
1_555 |
3 |
1 |
281 |
16.1 |
1.1 |
0.285 |
0 |
0 |
0 |
0.000 |
| 75 |
80 |
|
H |
4 |
2 |
6155 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
6396 |
15.6 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
| 76 |
81 |
|
C |
3 |
1 |
21558 |
◊ |
[NAG]B:608 |
x,y,z-1 |
1_554 |
1 |
1 |
361 |
13.9 |
0.6 |
0.502 |
0 |
0 |
0 |
0.000 |
| 77 |
82 |
|
[FUC]B:605 |
1 |
1 |
281 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21558 |
12.2 |
-0.1 |
0.187 |
0 |
0 |
0 |
0.000 |
| 78 |
83 |
|
H |
3 |
2 |
6155 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23909 |
9.2 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
| 79 |
84 |
|
[FUC]C:605 |
1 |
1 |
282 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
23958 |
8.1 |
0.2 |
0.301 |
0 |
0 |
0 |
0.000 |
| 80 |
85 |
|
[FUC]B:605 |
3 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
23958 |
7.4 |
0.3 |
0.327 |
0 |
0 |
0 |
0.000 |
| 81 |
86 |
|
[FUC]D:606 |
2 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
23686 |
6.9 |
0.3 |
0.475 |
0 |
0 |
0 |
0.000 |
| 82 |
87 |
|
[MAN]B:604 |
2 |
1 |
293 |
f |
[FUC]B:606 |
x,y,z |
1_555 |
1 |
1 |
282 |
6.7 |
-0.1 |
0.223 |
0 |
0 |
0 |
0.000 |
| 83 |
88 |
|
[NAG]C:602 |
1 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23958 |
6.5 |
0.1 |
0.280 |
0 |
0 |
0 |
0.000 |
| 84 |
89 |
|
[MAN]D:604 |
3 |
1 |
293 |
f |
[FUC]D:606 |
x,y,z |
1_555 |
1 |
1 |
281 |
6.3 |
0.4 |
0.210 |
0 |
0 |
0 |
0.000 |
| 85 |
90 |
|
[FUC]D:605 |
1 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
23686 |
3.7 |
0.2 |
0.391 |
0 |
0 |
0 |
0.000 |
| 86 |
91 |
|
[FUC]C:605 |
1 |
1 |
282 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
21558 |
2.9 |
0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
| 87 |
92 |
|
[MAN]B:607 |
2 |
1 |
293 |
f |
[NAG]B:602 |
x,y,z |
1_555 |
2 |
1 |
362 |
1.7 |
0.0 |
0.209 |
0 |
0 |
0 |
0.000 |
| 88 |
93 |
|
[FUC]C:605 |
1 |
1 |
282 |
◊ |
[FUC]B:605 |
x,y,z |
1_555 |
1 |
1 |
281 |
0.9 |
-0.0 |
0.200 |
0 |
0 |
0 |
0.000 |
|