## |
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 |
|
B |
114 |
28 |
23836 |
◊ |
A |
x,y,z |
1_555 |
112 |
26 |
24409 |
991.4 |
-7.2 |
0.263 |
7 |
3 |
0 |
0.000 |
2 |
2 |
|
[D0Z]B:702 |
38 |
1 |
809 |
f |
B |
x,y,z |
1_555 |
88 |
31 |
23836 |
543.1 |
-9.1 |
0.443 |
8 |
0 |
0 |
0.028 |
3 |
|
[D0Z]A:702 |
38 |
1 |
808 |
f |
A |
x,y,z |
1_555 |
87 |
32 |
24409 |
535.4 |
-8.6 |
0.482 |
8 |
0 |
0 |
0.028 |
Average: |
539.3 |
-8.8 |
0.463 |
8 |
0 |
0 |
0.028 |
3 |
4 |
|
A |
52 |
16 |
24409 |
◊ |
B |
x,y-1,z |
1_545 |
46 |
13 |
23836 |
415.4 |
-0.6 |
0.583 |
2 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
40 |
14 |
23836 |
◊ |
A |
x-1,y,z+1 |
1_456 |
51 |
18 |
24409 |
393.3 |
-3.7 |
0.275 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
36 |
12 |
24409 |
x |
A |
x-1,y,z |
1_455 |
30 |
7 |
24409 |
300.3 |
3.6 |
0.920 |
2 |
4 |
0 |
0.000 |
6 |
7 |
|
B |
26 |
8 |
23836 |
◊ |
A |
x-1,y+1,z+1 |
1_466 |
26 |
8 |
24409 |
269.0 |
2.8 |
0.898 |
1 |
4 |
0 |
0.000 |
7 |
8 |
|
[P33]B:716 |
20 |
1 |
634 |
f |
B |
x,y,z |
1_555 |
36 |
10 |
23836 |
259.5 |
-2.2 |
0.222 |
0 |
0 |
0 |
0.004 |
8 |
9 |
|
[PG4]A:720 |
13 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
31 |
11 |
24409 |
234.2 |
7.5 |
0.572 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[P33]B:716 |
20 |
1 |
634 |
◊ |
A |
x-1,y+1,z+1 |
1_466 |
28 |
7 |
24409 |
220.5 |
2.7 |
0.446 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
24 |
7 |
24409 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
7 |
23836 |
172.5 |
-2.4 |
0.206 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[PEG]B:715 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
23836 |
152.8 |
3.8 |
0.407 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[PGE]B:714 |
10 |
1 |
323 |
◊ |
A |
x-1,y+1,z+1 |
1_466 |
22 |
9 |
24409 |
149.4 |
3.2 |
0.135 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[NAG]A:709 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
21 |
6 |
24409 |
148.6 |
3.2 |
0.352 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[NAG]B:705 |
11 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
21 |
7 |
23836 |
140.1 |
4.7 |
0.524 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:705 |
11 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
24409 |
135.0 |
4.1 |
0.472 |
1 |
0 |
0 |
0.000 |
Average: |
137.6 |
4.4 |
0.498 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[NAG]B:706 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
18 |
6 |
23836 |
139.5 |
3.1 |
0.319 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[PGE]B:713 |
8 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
24409 |
127.2 |
2.7 |
0.230 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[PEG]A:719 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
24409 |
121.0 |
2.8 |
0.315 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[PGE]B:713 |
8 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
23836 |
117.4 |
3.2 |
0.262 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]B:710 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23836 |
109.3 |
3.7 |
0.606 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]A:718 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
24409 |
106.0 |
2.8 |
0.468 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]B:711 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
4 |
23836 |
102.9 |
3.1 |
0.499 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[NAG]B:707 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
13 |
5 |
23836 |
102.2 |
3.1 |
0.339 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]B:709 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23836 |
90.9 |
2.7 |
0.297 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[NAG]A:712 |
6 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
23836 |
90.6 |
3.1 |
0.661 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[NAG]B:707 |
6 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
24409 |
90.0 |
2.6 |
0.554 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[EDO]A:717 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
24409 |
89.3 |
1.7 |
0.226 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[NAG]A:712 |
10 |
1 |
352 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
24409 |
89.3 |
2.3 |
0.395 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
A |
14 |
3 |
24409 |
◊ |
[FUC]A:706 |
x-1,y,z |
1_455 |
6 |
1 |
281 |
85.7 |
2.2 |
0.500 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
A |
12 |
7 |
24409 |
◊ |
[EDO]A:716 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
84.5 |
2.5 |
0.506 |
2 |
0 |
0 |
0.000 |
30 |
32 |
|
[FUC]A:711 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
24409 |
82.8 |
1.9 |
0.396 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[PGE]B:714 |
9 |
1 |
323 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
23836 |
79.8 |
2.4 |
0.125 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[NAG]A:710 |
10 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
24409 |
79.6 |
0.9 |
0.159 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[EDO]B:712 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
23836 |
76.1 |
2.5 |
0.309 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[NAG]A:710 |
9 |
1 |
365 |
cf |
[NAG]A:709 |
x,y,z |
1_555 |
6 |
1 |
361 |
71.4 |
1.6 |
0.091 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[P33]B:716 |
4 |
1 |
634 |
f |
[PGE]B:714 |
x,y,z |
1_555 |
7 |
1 |
323 |
71.3 |
0.6 |
0.065 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[NAG]A:713 |
10 |
1 |
356 |
cf |
[NAG]A:712 |
x,y,z |
1_555 |
6 |
1 |
352 |
69.5 |
1.4 |
0.095 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[CL]B:703 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23836 |
69.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.029 |
40 |
|
[CL]A:703 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
24409 |
68.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
68.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.029 |
38 |
41 |
|
[FUC]A:711 |
6 |
1 |
280 |
cf |
[NAG]A:712 |
x,y,z |
1_555 |
6 |
1 |
352 |
67.0 |
2.6 |
0.248 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[BMA]A:707 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
7 |
1 |
24409 |
60.8 |
1.4 |
0.299 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[CL]A:704 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
24409 |
60.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.019 |
44 |
|
[CL]B:704 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
23836 |
59.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
60.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.019 |
41 |
45 |
|
[BMA]A:707 |
6 |
1 |
293 |
cf |
[NAG]A:710 |
x,y,z |
1_555 |
4 |
1 |
365 |
60.0 |
1.1 |
0.145 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[MAN]A:708 |
6 |
1 |
296 |
cf |
[BMA]A:707 |
x,y,z |
1_555 |
6 |
1 |
293 |
57.8 |
1.9 |
0.167 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[MG]A:715 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
24409 |
56.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.018 |
48 |
|
[MG]B:708 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
23836 |
53.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
55.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.018 |
44 |
49 |
|
[MG]A:714 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
24409 |
56.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.019 |
45 |
50 |
|
[FUC]A:706 |
6 |
1 |
281 |
cf |
[NAG]A:709 |
x,y,z |
1_555 |
5 |
1 |
361 |
55.8 |
2.4 |
0.210 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[EDO]A:716 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
24409 |
54.8 |
1.0 |
0.545 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[FUC]A:711 |
5 |
1 |
280 |
f |
[NAG]A:713 |
x,y,z |
1_555 |
6 |
1 |
356 |
51.3 |
2.2 |
0.250 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
A |
3 |
1 |
24409 |
◊ |
[NAG]A:709 |
x-1,y,z |
1_455 |
6 |
1 |
361 |
42.4 |
0.9 |
0.289 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[FUC]A:706 |
4 |
1 |
281 |
f |
[NAG]A:710 |
x,y,z |
1_555 |
5 |
1 |
365 |
39.6 |
2.0 |
0.273 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[MAN]A:708 |
3 |
1 |
296 |
f |
[NAG]A:710 |
x,y,z |
1_555 |
6 |
1 |
365 |
37.8 |
1.1 |
0.178 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
[ZN]B:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
23836 |
35.7 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.055 |
57 |
|
[ZN]A:701 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
9 |
5 |
24409 |
35.4 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
35.6 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.055 |
52 |
58 |
|
[D0Z]A:702 |
7 |
1 |
808 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.035 |
59 |
|
[D0Z]B:702 |
6 |
1 |
809 |
f |
[ZN]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
33.4 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.035 |
53 |
60 |
|
[CL]B:704 |
1 |
1 |
125 |
f |
[D0Z]B:702 |
x,y,z |
1_555 |
2 |
1 |
809 |
28.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
61 |
|
[CL]A:704 |
1 |
1 |
125 |
f |
[D0Z]A:702 |
x,y,z |
1_555 |
2 |
1 |
808 |
28.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
28.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.005 |
54 |
62 |
|
[EDO]B:711 |
2 |
1 |
184 |
f |
[CL]B:704 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
55 |
63 |
|
[EDO]B:711 |
2 |
1 |
184 |
f |
[D0Z]B:702 |
x,y,z |
1_555 |
2 |
1 |
809 |
18.6 |
0.6 |
0.828 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[EDO]A:716 |
2 |
1 |
185 |
f |
[FUC]A:706 |
x,y,z |
1_555 |
1 |
1 |
281 |
18.4 |
1.1 |
0.894 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[EDO]A:718 |
4 |
1 |
185 |
f |
[CL]A:704 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
58 |
66 |
|
[EDO]A:718 |
2 |
1 |
185 |
f |
[D0Z]A:702 |
x,y,z |
1_555 |
1 |
1 |
808 |
16.2 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[PEG]B:715 |
2 |
1 |
260 |
f |
[EDO]B:711 |
x,y,z |
1_555 |
1 |
1 |
184 |
8.3 |
0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[MG]A:715 |
1 |
1 |
98 |
f |
[MG]A:714 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.004 |
61 |
69 |
|
[NAG]A:713 |
1 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
24409 |
7.1 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[NAG]A:713 |
1 |
1 |
356 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23836 |
2.0 |
-0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
[MAN]A:708 |
1 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
24409 |
1.2 |
0.1 |
0.362 |
0 |
0 |
0 |
0.000 |
|