## |
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 |
76 |
22 |
5403 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
5464 |
688.8 |
-6.5 |
0.477 |
8 |
0 |
0 |
1.000 |
2 |
|
C |
82 |
23 |
5453 |
◊ |
A |
x,y,z |
1_555 |
68 |
20 |
5464 |
684.7 |
-6.5 |
0.453 |
8 |
0 |
0 |
1.000 |
3 |
|
C |
68 |
19 |
5453 |
◊ |
B |
x,y,z |
1_555 |
81 |
24 |
5403 |
658.4 |
-6.9 |
0.396 |
8 |
0 |
0 |
1.000 |
Average: |
677.3 |
-6.6 |
0.442 |
8 |
0 |
0 |
1.000 |
2 |
4 |
|
A |
26 |
9 |
5464 |
◊ |
A |
-x+1,y,-z |
5_655 |
26 |
9 |
5464 |
251.7 |
1.1 |
0.852 |
8 |
0 |
0 |
0.000 |
5 |
|
B |
24 |
9 |
5403 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
24 |
9 |
5403 |
239.7 |
-2.4 |
0.440 |
4 |
0 |
0 |
0.000 |
Average: |
245.7 |
-0.7 |
0.646 |
6 |
0 |
0 |
0.000 |
3 |
6 |
|
C |
24 |
9 |
5453 |
◊ |
C |
-y,-x,-z+1/4 |
8_555 |
25 |
9 |
5453 |
202.6 |
-0.6 |
0.670 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
C |
25 |
6 |
5453 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
26 |
6 |
5464 |
185.9 |
-2.3 |
0.436 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
26 |
6 |
5403 |
◊ |
B |
-y+1,-x+1,-z+1/4 |
8_665 |
26 |
6 |
5403 |
185.0 |
-2.6 |
0.400 |
0 |
0 |
0 |
0.000 |
Average: |
185.4 |
-2.5 |
0.418 |
0 |
0 |
0 |
0.000 |
5 |
9 |
|
[FUC]A:803 |
10 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
5464 |
141.8 |
2.8 |
0.534 |
5 |
0 |
0 |
0.000 |
10 |
|
[FUC]B:803 |
10 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
5403 |
141.2 |
2.9 |
0.548 |
5 |
0 |
0 |
0.000 |
11 |
|
[FUC]C:803 |
10 |
1 |
280 |
◊ |
C |
x,y,z |
1_555 |
24 |
11 |
5453 |
133.4 |
2.6 |
0.524 |
5 |
0 |
0 |
0.000 |
Average: |
138.8 |
2.8 |
0.535 |
5 |
0 |
0 |
0.000 |
6 |
12 |
|
A |
13 |
4 |
5464 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
13 |
4 |
5464 |
133.8 |
-2.6 |
0.250 |
1 |
0 |
0 |
0.000 |
13 |
|
B |
9 |
3 |
5403 |
◊ |
C |
-y,x,z+1/4 |
3_555 |
10 |
4 |
5453 |
115.1 |
-1.5 |
0.345 |
2 |
0 |
0 |
0.000 |
Average: |
124.4 |
-2.0 |
0.298 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
[GOL]C:702 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
5453 |
120.4 |
0.1 |
0.680 |
4 |
0 |
0 |
0.065 |
8 |
15 |
|
[GOL]B:702 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
5403 |
120.4 |
-0.5 |
0.555 |
3 |
0 |
0 |
0.074 |
9 |
16 |
|
[GOL]A:701 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
5464 |
120.2 |
-0.4 |
0.564 |
4 |
0 |
0 |
0.086 |
10 |
17 |
|
[FUC]A:901 |
8 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
5403 |
107.0 |
2.2 |
0.446 |
1 |
0 |
0 |
0.000 |
18 |
|
[FUC]C:901 |
8 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
5464 |
106.8 |
2.2 |
0.450 |
1 |
0 |
0 |
0.000 |
19 |
|
[FUC]B:901 |
7 |
1 |
291 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
5453 |
105.9 |
2.1 |
0.472 |
1 |
0 |
0 |
0.000 |
Average: |
106.6 |
2.2 |
0.456 |
1 |
0 |
0 |
0.000 |
11 |
20 |
|
[FUC]B:901 |
8 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
5403 |
105.9 |
1.1 |
0.314 |
2 |
0 |
0 |
0.000 |
21 |
|
[FUC]C:901 |
8 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
5453 |
105.9 |
1.0 |
0.288 |
2 |
0 |
0 |
0.000 |
22 |
|
[FUC]A:901 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
5464 |
104.4 |
1.0 |
0.290 |
2 |
0 |
0 |
0.000 |
Average: |
105.4 |
1.1 |
0.298 |
2 |
0 |
0 |
0.000 |
12 |
23 |
|
[GOL]B:701 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
5403 |
100.6 |
0.2 |
0.643 |
4 |
0 |
0 |
0.063 |
13 |
24 |
|
[GOL]C:701 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
5453 |
99.3 |
-0.0 |
0.598 |
3 |
0 |
0 |
0.054 |
14 |
25 |
|
[GOL]A:702 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
5464 |
98.1 |
-0.2 |
0.568 |
3 |
0 |
0 |
0.062 |
15 |
26 |
|
[XYS]C:801 |
9 |
1 |
272 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
5453 |
96.0 |
1.0 |
0.331 |
1 |
0 |
0 |
0.000 |
27 |
|
[XYS]A:801 |
9 |
1 |
273 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
5464 |
93.7 |
1.3 |
0.356 |
1 |
0 |
0 |
0.000 |
28 |
|
[XYS]B:801 |
9 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
5403 |
92.0 |
1.3 |
0.337 |
1 |
0 |
0 |
0.000 |
Average: |
93.9 |
1.2 |
0.341 |
1 |
0 |
0 |
0.000 |
16 |
29 |
|
[GAL]A:802 |
6 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
5464 |
79.6 |
1.2 |
0.397 |
0 |
0 |
0 |
0.000 |
30 |
|
[GAL]B:802 |
6 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
5403 |
77.8 |
1.3 |
0.440 |
0 |
0 |
0 |
0.000 |
31 |
|
[GAL]C:802 |
6 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
5453 |
75.6 |
0.9 |
0.366 |
0 |
0 |
0 |
0.000 |
Average: |
77.7 |
1.2 |
0.401 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
C |
9 |
2 |
5453 |
◊ |
C |
x,-y,-z+1/2 |
6_555 |
9 |
2 |
5453 |
79.1 |
1.0 |
0.835 |
2 |
0 |
0 |
0.000 |
18 |
33 |
|
B |
7 |
3 |
5403 |
◊ |
A |
-y+1,x,z+1/4 |
3_655 |
4 |
3 |
5464 |
67.3 |
-0.6 |
0.208 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
3 |
2 |
5403 |
◊ |
A |
-y,-x+1,-z+1/4 |
8_565 |
7 |
3 |
5464 |
65.2 |
-0.7 |
0.156 |
0 |
0 |
0 |
0.000 |
Average: |
66.3 |
-0.7 |
0.182 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
B |
5 |
2 |
5403 |
x |
B |
-y+1,x,z+1/4 |
3_655 |
9 |
3 |
5403 |
62.2 |
0.7 |
0.799 |
2 |
0 |
0 |
0.000 |
36 |
|
C |
7 |
2 |
5453 |
x |
A |
-y,-x+1,-z+1/4 |
8_565 |
3 |
1 |
5464 |
47.3 |
0.8 |
0.822 |
2 |
0 |
0 |
0.000 |
Average: |
54.7 |
0.8 |
0.811 |
2 |
0 |
0 |
0.000 |
20 |
37 |
|
[GAL]A:802 |
5 |
1 |
291 |
cf |
[XYS]A:801 |
x,y,z |
1_555 |
6 |
1 |
273 |
58.0 |
1.9 |
0.207 |
0 |
0 |
0 |
0.000 |
38 |
|
[GAL]B:802 |
6 |
1 |
290 |
cf |
[XYS]B:801 |
x,y,z |
1_555 |
6 |
1 |
269 |
56.7 |
1.9 |
0.188 |
0 |
0 |
0 |
0.000 |
39 |
|
[GAL]C:802 |
6 |
1 |
289 |
cf |
[XYS]C:801 |
x,y,z |
1_555 |
6 |
1 |
272 |
55.6 |
1.9 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
56.7 |
1.9 |
0.195 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[FUC]A:803 |
5 |
1 |
281 |
cf |
[GAL]A:802 |
x,y,z |
1_555 |
5 |
1 |
291 |
54.5 |
2.1 |
0.235 |
0 |
0 |
0 |
0.000 |
41 |
|
[FUC]B:803 |
5 |
1 |
281 |
cf |
[GAL]B:802 |
x,y,z |
1_555 |
5 |
1 |
290 |
54.4 |
2.2 |
0.272 |
0 |
0 |
0 |
0.000 |
42 |
|
[FUC]C:803 |
6 |
1 |
280 |
cf |
[GAL]C:802 |
x,y,z |
1_555 |
5 |
1 |
289 |
49.0 |
1.9 |
0.185 |
0 |
0 |
0 |
0.000 |
Average: |
52.6 |
2.1 |
0.230 |
0 |
0 |
0 |
0.000 |
22 |
43 |
|
C |
6 |
4 |
5453 |
◊ |
A |
-x,y,-z |
5_555 |
7 |
3 |
5464 |
52.2 |
-0.7 |
0.433 |
0 |
0 |
0 |
0.000 |
23 |
44 |
|
[GAL]C:802 |
5 |
1 |
289 |
◊ |
C |
-y,-x,-z+1/4 |
8_555 |
7 |
4 |
5453 |
45.2 |
1.0 |
0.320 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
[GOL]B:701 |
4 |
1 |
221 |
◊ |
A |
-y+1,x,z+1/4 |
3_655 |
6 |
3 |
5464 |
44.2 |
-0.8 |
0.351 |
0 |
0 |
0 |
0.000 |
25 |
46 |
|
[GAL]C:802 |
6 |
1 |
289 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
3 |
1 |
5464 |
43.0 |
0.6 |
0.170 |
1 |
0 |
0 |
0.000 |
47 |
|
C |
2 |
1 |
5453 |
◊ |
[GAL]A:802 |
-y,x,z+1/4 |
3_555 |
6 |
1 |
291 |
40.4 |
0.5 |
0.152 |
1 |
0 |
0 |
0.000 |
Average: |
41.7 |
0.6 |
0.161 |
1 |
0 |
0 |
0.000 |
26 |
48 |
|
[GOL]C:701 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
5403 |
42.6 |
-0.6 |
0.343 |
0 |
0 |
0 |
0.025 |
27 |
49 |
|
B |
6 |
3 |
5403 |
◊ |
[GOL]A:702 |
-y,-x+1,-z+1/4 |
8_565 |
4 |
1 |
220 |
42.4 |
-0.7 |
0.398 |
0 |
0 |
0 |
0.000 |
28 |
50 |
|
[GOL]B:701 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5464 |
41.9 |
-0.4 |
0.378 |
0 |
0 |
0 |
0.016 |
29 |
51 |
|
[GOL]A:702 |
3 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5453 |
41.7 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.010 |
30 |
52 |
|
[FUC]A:803 |
4 |
1 |
281 |
f |
[XYS]A:801 |
x,y,z |
1_555 |
4 |
1 |
273 |
41.3 |
1.6 |
0.367 |
0 |
0 |
0 |
0.000 |
53 |
|
[FUC]B:803 |
4 |
1 |
281 |
f |
[XYS]B:801 |
x,y,z |
1_555 |
4 |
1 |
269 |
40.2 |
1.6 |
0.355 |
0 |
0 |
0 |
0.000 |
54 |
|
[FUC]C:803 |
4 |
1 |
280 |
f |
[XYS]C:801 |
x,y,z |
1_555 |
4 |
1 |
272 |
39.1 |
1.7 |
0.358 |
0 |
0 |
0 |
0.000 |
Average: |
40.2 |
1.6 |
0.360 |
0 |
0 |
0 |
0.000 |
31 |
55 |
|
[GAL]B:802 |
5 |
1 |
290 |
◊ |
B |
-y+1,-x+1,-z+1/4 |
8_665 |
2 |
1 |
5403 |
39.5 |
0.8 |
0.175 |
2 |
0 |
0 |
0.000 |
32 |
56 |
|
C |
2 |
1 |
5453 |
◊ |
C |
-x,y,-z |
5_555 |
2 |
1 |
5453 |
38.1 |
-1.2 |
0.103 |
0 |
0 |
0 |
0.000 |
33 |
57 |
|
[GOL]C:701 |
3 |
1 |
220 |
◊ |
C |
x,-y,-z+1/2 |
6_555 |
3 |
1 |
5453 |
35.5 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[GOL]C:702 |
4 |
1 |
218 |
f |
[GOL]C:701 |
x,y,z |
1_555 |
4 |
1 |
220 |
33.9 |
-0.3 |
0.551 |
0 |
0 |
0 |
0.010 |
35 |
59 |
|
[XYS]C:801 |
3 |
1 |
272 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
2 |
1 |
5464 |
32.8 |
1.5 |
0.591 |
2 |
0 |
0 |
0.000 |
36 |
60 |
|
[GOL]A:702 |
3 |
1 |
220 |
f |
[GOL]A:701 |
x,y,z |
1_555 |
5 |
1 |
221 |
32.5 |
0.2 |
0.560 |
1 |
0 |
0 |
0.010 |
37 |
61 |
|
[GOL]B:702 |
5 |
1 |
218 |
f |
[GOL]B:701 |
x,y,z |
1_555 |
2 |
1 |
221 |
31.2 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
38 |
62 |
|
[XYS]B:801 |
2 |
1 |
269 |
◊ |
B |
-y+1,-x+1,-z+1/4 |
8_665 |
2 |
1 |
5403 |
30.9 |
1.4 |
0.559 |
2 |
0 |
0 |
0.000 |
63 |
|
C |
2 |
1 |
5453 |
◊ |
[XYS]A:801 |
-y,x,z+1/4 |
3_555 |
3 |
1 |
273 |
30.3 |
1.4 |
0.575 |
2 |
0 |
0 |
0.000 |
Average: |
30.6 |
1.4 |
0.567 |
2 |
0 |
0 |
0.000 |
39 |
64 |
|
[GAL]C:802 |
3 |
1 |
289 |
f |
[GAL]C:802 |
-y,-x,-z+1/4 |
8_555 |
4 |
1 |
289 |
23.8 |
1.1 |
0.240 |
1 |
0 |
0 |
0.000 |
40 |
65 |
|
C |
4 |
1 |
5453 |
◊ |
B |
x,-y,-z+1/2 |
6_555 |
1 |
1 |
5403 |
22.1 |
-0.1 |
0.291 |
0 |
0 |
0 |
0.000 |
41 |
66 |
|
A |
3 |
2 |
5464 |
x |
A |
-y+1,x,z+1/4 |
3_655 |
4 |
3 |
5464 |
17.4 |
-0.4 |
0.433 |
0 |
0 |
0 |
0.000 |
67 |
|
B |
4 |
3 |
5403 |
x |
C |
-y,-x+1,-z+1/4 |
8_565 |
3 |
2 |
5453 |
15.2 |
-0.3 |
0.490 |
0 |
0 |
0 |
0.000 |
Average: |
16.3 |
-0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
42 |
68 |
|
[FUC]C:803 |
1 |
1 |
280 |
◊ |
C |
-y,-x,-z+1/4 |
8_555 |
2 |
1 |
5453 |
16.5 |
0.5 |
0.420 |
0 |
0 |
0 |
0.000 |
43 |
69 |
|
B |
1 |
1 |
5403 |
x |
A |
-y,x,z+1/4 |
3_555 |
2 |
1 |
5464 |
11.7 |
0.2 |
0.436 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
2 |
1 |
5453 |
x |
C |
-y,x,z+1/4 |
3_555 |
1 |
1 |
5453 |
10.9 |
0.2 |
0.457 |
0 |
0 |
0 |
0.000 |
71 |
|
B |
2 |
1 |
5403 |
x |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
1 |
1 |
5464 |
9.9 |
0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
Average: |
10.8 |
0.2 |
0.452 |
0 |
0 |
0 |
0.000 |
44 |
72 |
|
[FUC]B:803 |
1 |
1 |
281 |
◊ |
B |
-y+1,-x+1,-z+1/4 |
8_665 |
2 |
1 |
5403 |
7.0 |
0.2 |
0.363 |
0 |
0 |
0 |
0.000 |
73 |
|
C |
2 |
1 |
5453 |
◊ |
[FUC]A:803 |
-y,x,z+1/4 |
3_555 |
1 |
1 |
281 |
6.3 |
0.2 |
0.356 |
0 |
0 |
0 |
0.000 |
74 |
|
[FUC]C:803 |
1 |
1 |
280 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
2 |
1 |
5464 |
6.0 |
0.2 |
0.363 |
0 |
0 |
0 |
0.000 |
Average: |
6.4 |
0.2 |
0.361 |
0 |
0 |
0 |
0.000 |
45 |
75 |
|
[GAL]A:802 |
2 |
1 |
291 |
f |
A |
-x+1,y,-z |
5_655 |
3 |
2 |
5464 |
5.6 |
0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
76 |
|
[GAL]B:802 |
4 |
1 |
290 |
f |
B |
x,-y+1,-z+1/2 |
6_565 |
3 |
3 |
5403 |
4.3 |
0.2 |
0.263 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
0.2 |
0.320 |
0 |
0 |
0 |
0.000 |
46 |
77 |
|
[GAL]C:802 |
1 |
1 |
289 |
f |
[XYS]C:801 |
-y,-x,-z+1/4 |
8_555 |
1 |
1 |
272 |
0.4 |
0.0 |
0.191 |
0 |
0 |
0 |
0.000 |
|