## |
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 |
|
A |
77 |
18 |
20774 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
72 |
17 |
20661 |
706.5 |
-7.8 |
0.112 |
5 |
3 |
0 |
0.000 |
2 |
2 |
|
B |
69 |
20 |
20661 |
◊ |
A |
x,y,z |
1_555 |
76 |
24 |
20774 |
675.9 |
-0.4 |
0.582 |
10 |
1 |
0 |
0.000 |
3 |
3 |
|
[5HH]A:605 |
27 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
64 |
22 |
20774 |
418.2 |
7.7 |
0.284 |
1 |
0 |
0 |
0.000 |
4 |
|
[5HH]B:605 |
27 |
1 |
598 |
f |
B |
x,y,z |
1_555 |
69 |
22 |
20661 |
414.1 |
7.2 |
0.311 |
1 |
0 |
0 |
0.000 |
Average: |
416.1 |
7.4 |
0.297 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
34 |
12 |
20774 |
◊ |
B |
x,y-1,z |
1_545 |
30 |
5 |
20661 |
280.8 |
0.6 |
0.528 |
3 |
5 |
0 |
0.000 |
5 |
6 |
|
B |
34 |
12 |
20661 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
33 |
9 |
20661 |
280.2 |
0.2 |
0.669 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
25 |
7 |
20774 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
23 |
7 |
20774 |
229.3 |
-2.4 |
0.141 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[NAG]A:615 |
13 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
23 |
8 |
20774 |
165.9 |
3.5 |
0.371 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
[NAG]B:610 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
20661 |
152.9 |
3.2 |
0.366 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[GOL]B:602 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
20661 |
150.4 |
-1.4 |
0.433 |
3 |
0 |
0 |
0.000 |
10 |
11 |
|
[NAG]A:610 |
11 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
20774 |
146.5 |
3.6 |
0.427 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[GOL]A:603 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
20774 |
139.4 |
-0.6 |
0.500 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[FUL]A:613 |
9 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
20774 |
138.6 |
2.9 |
0.429 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[NAG]B:614 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
20661 |
131.6 |
3.6 |
0.343 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:614 |
11 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
20774 |
112.3 |
1.5 |
0.263 |
0 |
0 |
0 |
0.000 |
Average: |
121.9 |
2.6 |
0.303 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[NAG]A:616 |
11 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
20661 |
129.7 |
3.4 |
0.433 |
2 |
0 |
0 |
0.000 |
15 |
17 |
|
[GOL]A:602 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
20774 |
129.1 |
-0.3 |
0.502 |
3 |
0 |
0 |
0.000 |
16 |
18 |
|
[NAG]B:616 |
9 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
20661 |
128.4 |
3.1 |
0.486 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:604 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
20774 |
127.3 |
2.8 |
0.366 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[FUL]A:619 |
10 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
20774 |
124.6 |
1.6 |
0.288 |
4 |
0 |
0 |
0.000 |
19 |
21 |
|
[NAG]A:608 |
10 |
1 |
367 |
cf |
A |
x,y,z |
1_555 |
17 |
5 |
20774 |
123.8 |
4.4 |
0.509 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[GOL]A:601 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20774 |
116.3 |
-0.2 |
0.553 |
3 |
0 |
0 |
0.000 |
21 |
23 |
|
[FUL]B:612 |
9 |
1 |
273 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
20661 |
115.6 |
0.7 |
0.205 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[GOL]B:601 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
20661 |
115.4 |
-0.7 |
0.492 |
4 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]B:604 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
20661 |
112.8 |
4.3 |
0.546 |
4 |
0 |
0 |
0.000 |
24 |
26 |
|
[NAG]A:612 |
11 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
20774 |
110.6 |
3.3 |
0.361 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[NAG]B:609 |
11 |
1 |
354 |
cf |
B |
x,y,z |
1_555 |
14 |
5 |
20661 |
108.4 |
2.5 |
0.290 |
1 |
0 |
0 |
0.000 |
26 |
28 |
|
[NAG]B:607 |
12 |
1 |
347 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
20661 |
107.7 |
2.2 |
0.234 |
1 |
0 |
0 |
0.000 |
27 |
29 |
|
[NAG]A:607 |
9 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
20774 |
106.4 |
1.9 |
0.320 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[NAG]B:608 |
11 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
16 |
5 |
20661 |
103.2 |
2.8 |
0.305 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[NAG]B:613 |
9 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
20661 |
89.7 |
2.6 |
0.407 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[NAG]B:615 |
7 |
1 |
356 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
20661 |
89.0 |
3.5 |
0.558 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[EDO]B:603 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20661 |
85.7 |
2.8 |
0.302 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[CL]B:606 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
20661 |
76.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[CL]A:606 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
20774 |
75.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
75.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[NAG]A:616 |
9 |
1 |
364 |
cf |
[NAG]A:615 |
x,y,z |
1_555 |
7 |
1 |
364 |
74.2 |
1.1 |
0.083 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[NAG]B:611 |
9 |
1 |
365 |
cf |
[NAG]B:610 |
x,y,z |
1_555 |
7 |
1 |
362 |
73.4 |
1.6 |
0.104 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[NAG]A:611 |
9 |
1 |
358 |
cf |
[NAG]A:610 |
x,y,z |
1_555 |
6 |
1 |
358 |
72.3 |
2.0 |
0.091 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[NAG]A:617 |
9 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
20774 |
71.3 |
1.7 |
0.217 |
2 |
0 |
0 |
0.000 |
37 |
40 |
|
A |
10 |
3 |
20774 |
◊ |
[NAG]B:615 |
x,y-1,z |
1_545 |
9 |
1 |
356 |
69.5 |
1.5 |
0.228 |
1 |
0 |
0 |
0.000 |
38 |
41 |
|
[NAG]A:618 |
9 |
1 |
359 |
cf |
[NAG]A:617 |
x,y,z |
1_555 |
8 |
1 |
363 |
67.5 |
1.3 |
0.054 |
1 |
0 |
0 |
0.000 |
39 |
42 |
|
[NAG]A:615 |
5 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
20661 |
64.3 |
1.2 |
0.413 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[FUC]A:609 |
5 |
1 |
273 |
cf |
[NAG]A:608 |
x,y,z |
1_555 |
3 |
1 |
367 |
57.2 |
2.2 |
0.339 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[NAG]A:616 |
7 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
10 |
1 |
20774 |
55.2 |
0.3 |
0.216 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[FUL]A:619 |
4 |
1 |
275 |
f |
[NAG]A:617 |
x,y,z |
1_555 |
3 |
1 |
363 |
54.2 |
1.9 |
0.417 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[FUC]A:609 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
20774 |
52.3 |
1.9 |
0.417 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[FUL]A:613 |
4 |
1 |
276 |
cf |
[NAG]A:612 |
x,y,z |
1_555 |
3 |
1 |
355 |
51.1 |
2.5 |
0.443 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[NAG]A:611 |
8 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
20774 |
49.8 |
0.2 |
0.107 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[FUL]B:612 |
4 |
1 |
273 |
cf |
[NAG]B:610 |
x,y,z |
1_555 |
4 |
1 |
362 |
49.6 |
2.3 |
0.335 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[NAG]B:611 |
5 |
1 |
365 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
20661 |
47.0 |
0.3 |
0.283 |
0 |
0 |
0 |
0.000 |
48 |
51 |
|
[FUL]B:612 |
2 |
1 |
273 |
f |
[NAG]B:611 |
x,y,z |
1_555 |
5 |
1 |
365 |
40.1 |
2.1 |
0.408 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[NAG]B:613 |
3 |
1 |
359 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
4 |
2 |
20661 |
35.0 |
1.1 |
0.597 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
[NAG]A:612 |
2 |
1 |
355 |
◊ |
[NAG]B:615 |
x,y-1,z |
1_545 |
2 |
1 |
356 |
34.0 |
1.9 |
0.608 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[FUL]A:619 |
4 |
1 |
275 |
f |
[NAG]A:618 |
x,y,z |
1_555 |
5 |
1 |
359 |
32.5 |
1.7 |
0.225 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[CL]A:606 |
1 |
1 |
125 |
f |
[5HH]A:605 |
x,y,z |
1_555 |
4 |
1 |
602 |
31.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[CL]B:606 |
1 |
1 |
125 |
f |
[5HH]B:605 |
x,y,z |
1_555 |
5 |
1 |
598 |
30.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[NAG]A:617 |
3 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20661 |
28.0 |
0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
[FUL]A:619 |
3 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20661 |
26.8 |
0.0 |
0.262 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
B |
1 |
1 |
20661 |
◊ |
[NAG]B:616 |
-x-1,y-1/2,-z-1/2 |
3_444 |
5 |
1 |
357 |
17.3 |
0.0 |
0.129 |
0 |
0 |
0 |
0.000 |
56 |
60 |
|
B |
2 |
1 |
20661 |
◊ |
[FUC]A:609 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
273 |
11.7 |
0.3 |
0.270 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
A |
1 |
1 |
20774 |
◊ |
[FUL]A:613 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
276 |
9.9 |
-0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
58 |
62 |
|
[NAG]A:618 |
4 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
20774 |
7.6 |
0.2 |
0.274 |
0 |
0 |
0 |
0.000 |
|