## |
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 |
85 |
22 |
19125 |
◊ |
B |
x-1,y,z-1 |
1_454 |
86 |
27 |
19456 |
744.7 |
-2.0 |
0.281 |
12 |
3 |
0 |
0.000 |
2 |
|
A |
80 |
24 |
19125 |
◊ |
B |
x,y,z-1 |
1_554 |
76 |
22 |
19456 |
694.0 |
1.2 |
0.461 |
11 |
5 |
0 |
0.000 |
Average: |
719.3 |
-0.4 |
0.371 |
12 |
4 |
0 |
0.000 |
2 |
3 |
|
D |
66 |
11 |
2017 |
◊ |
B |
x,y,z |
1_555 |
87 |
25 |
19456 |
711.9 |
-9.7 |
0.157 |
8 |
3 |
0 |
1.000 |
4 |
|
C |
52 |
9 |
1791 |
◊ |
A |
x,y,z |
1_555 |
78 |
23 |
19125 |
577.1 |
-9.6 |
0.114 |
5 |
3 |
0 |
1.000 |
Average: |
644.5 |
-9.6 |
0.135 |
7 |
3 |
0 |
1.000 |
3 |
5 |
|
A |
50 |
15 |
19125 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
15 |
19456 |
517.0 |
-2.3 |
0.220 |
5 |
0 |
0 |
0.121 |
4 |
6 |
|
B |
50 |
18 |
19456 |
◊ |
A |
x,y,z |
1_555 |
51 |
16 |
19125 |
454.6 |
5.3 |
0.851 |
3 |
1 |
0 |
0.000 |
5 |
7 |
|
[SIA]B:5 |
19 |
1 |
425 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
19456 |
205.0 |
-0.3 |
0.363 |
6 |
0 |
0 |
0.235 |
8 |
|
[SIA]A:5 |
19 |
1 |
410 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
19125 |
193.7 |
0.3 |
0.369 |
6 |
0 |
0 |
0.235 |
Average: |
199.4 |
-0.0 |
0.366 |
6 |
0 |
0 |
0.235 |
6 |
9 |
|
A |
26 |
9 |
19125 |
◊ |
D |
x,y,z-1 |
1_554 |
15 |
4 |
2017 |
176.5 |
0.2 |
0.628 |
3 |
0 |
0 |
0.000 |
10 |
|
C |
10 |
3 |
1791 |
◊ |
B |
x-1,y,z-1 |
1_454 |
7 |
2 |
19456 |
67.5 |
0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
Average: |
122.0 |
0.1 |
0.659 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[BGC]B:1 |
11 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
19125 |
140.3 |
2.7 |
0.350 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[BGC]A:1 |
11 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
19456 |
125.1 |
2.7 |
0.290 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[GAL]B:4 |
11 |
1 |
287 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
19456 |
124.8 |
2.7 |
0.312 |
4 |
0 |
0 |
0.000 |
10 |
14 |
|
[GAL]A:4 |
11 |
1 |
289 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
19125 |
122.7 |
2.7 |
0.264 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
D |
13 |
5 |
2017 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
1791 |
108.8 |
0.2 |
0.795 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[NGA]B:3 |
9 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
19 |
4 |
19456 |
108.6 |
2.0 |
0.290 |
0 |
0 |
0 |
0.000 |
17 |
|
[NGA]A:3 |
10 |
1 |
352 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
19125 |
105.7 |
1.8 |
0.187 |
0 |
0 |
0 |
0.000 |
Average: |
107.2 |
1.9 |
0.238 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[SIA]A:6 |
11 |
1 |
412 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
19456 |
106.6 |
-0.3 |
0.378 |
0 |
0 |
0 |
0.000 |
19 |
|
[SIA]B:6 |
12 |
1 |
432 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
19125 |
101.5 |
0.1 |
0.387 |
1 |
0 |
0 |
0.000 |
Average: |
104.0 |
-0.1 |
0.383 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[CL]B:1300 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
19456 |
80.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.797 |
21 |
|
[CL]A:1300 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19125 |
77.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.797 |
Average: |
78.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.797 |
15 |
22 |
|
[SIA]A:6 |
9 |
1 |
412 |
f |
[NGA]A:3 |
x,y,z |
1_555 |
9 |
1 |
352 |
79.2 |
2.6 |
0.247 |
2 |
0 |
0 |
0.000 |
23 |
|
[SIA]B:6 |
10 |
1 |
432 |
f |
[NGA]B:3 |
x,y,z |
1_555 |
9 |
1 |
359 |
75.2 |
2.4 |
0.287 |
1 |
0 |
0 |
0.000 |
Average: |
77.2 |
2.5 |
0.267 |
2 |
0 |
0 |
0.000 |
16 |
24 |
|
[NGA]B:3 |
7 |
1 |
359 |
cf |
[GAL]B:2 |
x,y,z |
1_555 |
7 |
1 |
289 |
74.3 |
1.7 |
0.112 |
1 |
0 |
0 |
0.000 |
25 |
|
[NGA]A:3 |
10 |
1 |
352 |
cf |
[GAL]A:2 |
x,y,z |
1_555 |
6 |
1 |
293 |
73.6 |
2.1 |
0.077 |
1 |
0 |
0 |
0.000 |
Average: |
73.9 |
1.9 |
0.095 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[GAL]B:2 |
8 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
19125 |
73.6 |
1.9 |
0.338 |
1 |
0 |
0 |
0.000 |
27 |
|
[GAL]A:2 |
7 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
19456 |
69.9 |
1.8 |
0.344 |
1 |
0 |
0 |
0.000 |
Average: |
71.7 |
1.9 |
0.341 |
1 |
0 |
0 |
0.000 |
18 |
28 |
|
[GAL]A:2 |
7 |
1 |
293 |
cf |
[BGC]A:1 |
x,y,z |
1_555 |
7 |
1 |
297 |
68.3 |
1.6 |
0.082 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[SIA]A:6 |
9 |
1 |
412 |
cf |
[GAL]A:2 |
x,y,z |
1_555 |
7 |
1 |
293 |
63.4 |
2.7 |
0.312 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[GAL]B:2 |
5 |
1 |
289 |
cf |
[BGC]B:1 |
x,y,z |
1_555 |
6 |
1 |
298 |
62.1 |
1.2 |
0.132 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[NGA]A:3 |
8 |
1 |
352 |
cf |
[GAL]A:4 |
x,y,z |
1_555 |
7 |
1 |
289 |
62.0 |
2.3 |
0.101 |
0 |
0 |
0 |
0.000 |
32 |
|
[NGA]B:3 |
7 |
1 |
359 |
cf |
[GAL]B:4 |
x,y,z |
1_555 |
7 |
1 |
287 |
58.3 |
2.2 |
0.157 |
1 |
0 |
0 |
0.000 |
Average: |
60.1 |
2.2 |
0.129 |
1 |
0 |
0 |
0.000 |
22 |
33 |
|
[SIA]B:6 |
9 |
1 |
432 |
cf |
[GAL]B:2 |
x,y,z |
1_555 |
6 |
1 |
289 |
61.3 |
2.7 |
0.404 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[SIA]B:5 |
9 |
1 |
425 |
cf |
[GAL]B:4 |
x,y,z |
1_555 |
5 |
1 |
287 |
59.5 |
2.3 |
0.435 |
0 |
0 |
0 |
0.000 |
35 |
|
[SIA]A:5 |
8 |
1 |
410 |
cf |
[GAL]A:4 |
x,y,z |
1_555 |
5 |
1 |
289 |
56.5 |
2.1 |
0.353 |
0 |
0 |
0 |
0.000 |
Average: |
58.0 |
2.2 |
0.394 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[SIA]B:6 |
4 |
1 |
432 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
19456 |
45.4 |
-0.1 |
0.439 |
2 |
0 |
0 |
0.074 |
37 |
|
[SIA]A:6 |
3 |
1 |
412 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
19125 |
32.2 |
0.1 |
0.453 |
2 |
0 |
0 |
0.074 |
Average: |
38.8 |
-0.0 |
0.446 |
2 |
0 |
0 |
0.074 |
25 |
38 |
|
A |
12 |
6 |
19125 |
f |
[MG]B:1301 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
44.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.344 |
26 |
39 |
|
A |
5 |
2 |
19125 |
x |
A |
x-1,y,z |
1_455 |
3 |
2 |
19125 |
42.3 |
-0.0 |
0.536 |
1 |
0 |
0 |
0.000 |
40 |
|
B |
6 |
1 |
19456 |
x |
B |
x-1,y,z |
1_455 |
4 |
1 |
19456 |
39.3 |
0.0 |
0.520 |
1 |
0 |
0 |
0.000 |
Average: |
40.8 |
-0.0 |
0.528 |
1 |
0 |
0 |
0.000 |
27 |
41 |
|
B |
4 |
2 |
19456 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
1791 |
32.3 |
0.6 |
0.798 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[MG]B:1301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19456 |
31.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.074 |
29 |
43 |
|
D |
2 |
1 |
2017 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
19125 |
24.3 |
0.5 |
0.742 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[BGC]A:1 |
4 |
1 |
297 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
19125 |
22.5 |
0.8 |
0.377 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[BGC]B:1 |
4 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
19456 |
22.4 |
0.9 |
0.438 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[NGA]B:3 |
4 |
1 |
359 |
f |
[BGC]B:1 |
x,y,z |
1_555 |
2 |
1 |
298 |
14.7 |
0.2 |
0.162 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[SIA]B:6 |
3 |
1 |
432 |
f |
[GAL]B:4 |
x,y,z |
1_555 |
2 |
1 |
287 |
10.6 |
-0.3 |
0.284 |
0 |
0 |
0 |
0.022 |
34 |
48 |
|
[SIA]A:6 |
2 |
1 |
412 |
f |
[GAL]A:4 |
x,y,z |
1_555 |
2 |
1 |
289 |
8.8 |
-0.1 |
0.293 |
0 |
0 |
0 |
0.007 |
35 |
49 |
|
[NGA]A:3 |
3 |
1 |
352 |
f |
[BGC]A:1 |
x,y,z |
1_555 |
1 |
1 |
297 |
6.0 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[NGA]A:3 |
1 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19456 |
3.3 |
0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
51 |
|
[NGA]B:3 |
1 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19125 |
1.3 |
0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
Average: |
2.3 |
0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[SIA]B:5 |
1 |
1 |
425 |
f |
[NGA]B:3 |
x,y,z |
1_555 |
1 |
1 |
359 |
2.2 |
0.1 |
0.293 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[GAL]A:4 |
1 |
1 |
289 |
f |
[GAL]A:2 |
x,y,z |
1_555 |
1 |
1 |
293 |
2.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
54 |
|
[GAL]B:4 |
1 |
1 |
287 |
f |
[GAL]B:2 |
x,y,z |
1_555 |
1 |
1 |
289 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
1.5 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
[SIA]A:6 |
1 |
1 |
412 |
f |
[BGC]A:1 |
x,y,z |
1_555 |
1 |
1 |
297 |
1.0 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
[SIA]B:6 |
1 |
1 |
432 |
f |
[BGC]B:1 |
x,y,z |
1_555 |
1 |
1 |
298 |
0.6 |
0.0 |
0.204 |
0 |
0 |
0 |
0.000 |
|