## |
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 |
334 |
87 |
12679 |
◊ |
A |
x,y,z |
1_555 |
298 |
73 |
16737 |
3083.6 |
-36.9 |
0.125 |
41 |
10 |
1 |
1.000 |
2 |
|
D |
329 |
85 |
12677 |
◊ |
C |
x,y,z |
1_555 |
302 |
72 |
16670 |
3078.0 |
-38.2 |
0.084 |
37 |
10 |
1 |
1.000 |
3 |
|
F |
328 |
84 |
12461 |
◊ |
E |
x,y,z |
1_555 |
285 |
69 |
17105 |
2998.9 |
-39.6 |
0.109 |
40 |
2 |
1 |
1.000 |
Average: |
3053.5 |
-38.2 |
0.106 |
39 |
7 |
1 |
1.000 |
2 |
4 |
|
D |
137 |
46 |
12677 |
◊ |
B |
x,y,z |
1_555 |
147 |
37 |
12679 |
1395.4 |
-17.9 |
0.328 |
11 |
11 |
0 |
1.000 |
5 |
|
F |
148 |
38 |
12461 |
◊ |
B |
x,y,z |
1_555 |
130 |
42 |
12679 |
1349.0 |
-17.7 |
0.335 |
11 |
11 |
0 |
1.000 |
6 |
|
F |
126 |
39 |
12461 |
◊ |
D |
x,y,z |
1_555 |
145 |
37 |
12677 |
1347.8 |
-17.4 |
0.300 |
13 |
12 |
0 |
1.000 |
Average: |
1364.1 |
-17.7 |
0.321 |
12 |
11 |
0 |
1.000 |
3 |
7 |
|
C |
66 |
25 |
16670 |
◊ |
A |
x-1,y,z |
1_455 |
59 |
22 |
16737 |
504.0 |
-1.8 |
0.585 |
4 |
0 |
0 |
0.000 |
4 |
8 |
|
E |
39 |
13 |
17105 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
16670 |
391.2 |
-4.6 |
0.268 |
3 |
1 |
0 |
0.072 |
9 |
|
E |
38 |
10 |
17105 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
16737 |
359.2 |
-4.0 |
0.313 |
2 |
2 |
0 |
0.072 |
10 |
|
C |
38 |
12 |
16670 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
16737 |
357.9 |
-4.7 |
0.243 |
2 |
1 |
0 |
0.072 |
Average: |
369.4 |
-4.4 |
0.275 |
2 |
1 |
0 |
0.072 |
5 |
11 |
|
[SIA]I:3 |
19 |
1 |
440 |
f |
E |
x,y,z |
1_555 |
34 |
14 |
17105 |
250.5 |
-2.6 |
0.314 |
6 |
0 |
0 |
0.665 |
12 |
|
[SIA]G:3 |
19 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
16737 |
247.5 |
-2.5 |
0.315 |
6 |
0 |
0 |
0.665 |
13 |
|
[SIA]H:3 |
19 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
35 |
13 |
16670 |
245.5 |
-2.6 |
0.294 |
6 |
0 |
0 |
0.665 |
Average: |
247.9 |
-2.6 |
0.308 |
6 |
0 |
0 |
0.665 |
6 |
14 |
|
D |
35 |
12 |
12677 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
16737 |
228.7 |
-3.0 |
0.304 |
3 |
0 |
0 |
0.055 |
15 |
|
F |
33 |
12 |
12461 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
16670 |
212.4 |
-3.6 |
0.246 |
1 |
0 |
0 |
0.055 |
16 |
|
B |
32 |
10 |
12679 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
17105 |
212.0 |
-3.2 |
0.269 |
3 |
0 |
0 |
0.055 |
Average: |
217.7 |
-3.3 |
0.273 |
2 |
0 |
0 |
0.055 |
7 |
17 |
|
F |
25 |
8 |
12461 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
16737 |
201.2 |
-0.5 |
0.680 |
1 |
2 |
0 |
0.018 |
18 |
|
B |
22 |
8 |
12679 |
◊ |
C |
x,y,z |
1_555 |
21 |
10 |
16670 |
197.3 |
-0.8 |
0.611 |
1 |
1 |
0 |
0.018 |
19 |
|
D |
25 |
8 |
12677 |
◊ |
E |
x,y,z |
1_555 |
23 |
9 |
17105 |
195.3 |
-0.8 |
0.653 |
1 |
2 |
0 |
0.018 |
Average: |
197.9 |
-0.7 |
0.648 |
1 |
2 |
0 |
0.018 |
8 |
20 |
|
[NAG]B:202 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
17 |
5 |
12679 |
122.2 |
4.0 |
0.534 |
2 |
0 |
0 |
0.000 |
9 |
21 |
|
[NAG]D:201 |
8 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
14 |
6 |
12677 |
114.8 |
4.9 |
0.666 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:201 |
9 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
16 |
7 |
12679 |
108.9 |
4.0 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
111.9 |
4.4 |
0.616 |
0 |
0 |
0 |
0.000 |
10 |
23 |
|
[EDO]C:412 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
16670 |
100.7 |
3.2 |
0.484 |
4 |
0 |
0 |
0.000 |
11 |
24 |
|
[EDO]C:409 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
16670 |
100.5 |
2.8 |
0.442 |
1 |
0 |
0 |
0.000 |
12 |
25 |
|
[GAL]I:2 |
8 |
1 |
293 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
17105 |
96.1 |
1.3 |
0.333 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[EDO]C:408 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
16670 |
95.0 |
2.3 |
0.258 |
2 |
0 |
0 |
0.000 |
14 |
27 |
|
[EDO]A:404 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
16737 |
93.2 |
2.2 |
0.430 |
1 |
0 |
0 |
0.000 |
15 |
28 |
|
[EDO]F:201 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
12461 |
92.8 |
2.4 |
0.440 |
2 |
0 |
0 |
0.000 |
16 |
29 |
|
[EDO]D:202 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
12677 |
91.6 |
1.8 |
0.268 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[EDO]B:203 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12679 |
84.9 |
3.0 |
0.322 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[EDO]F:202 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
12461 |
84.3 |
2.6 |
0.935 |
3 |
0 |
0 |
0.000 |
19 |
32 |
|
[EDO]C:410 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
16670 |
84.2 |
2.8 |
0.444 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[EDO]C:406 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
16670 |
82.9 |
2.1 |
0.264 |
2 |
0 |
0 |
0.000 |
21 |
34 |
|
[EDO]E:404 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
15 |
5 |
12461 |
81.8 |
1.4 |
0.266 |
2 |
0 |
0 |
0.000 |
22 |
35 |
|
[GAL]H:2 |
7 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
16670 |
78.8 |
2.0 |
0.364 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
[EDO]C:404 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
16670 |
78.4 |
2.1 |
0.243 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[SIA]I:3 |
12 |
1 |
440 |
cf |
[GAL]I:2 |
x,y,z |
1_555 |
5 |
1 |
293 |
78.2 |
2.6 |
0.331 |
1 |
0 |
0 |
0.000 |
25 |
38 |
|
[EDO]F:203 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
17 |
6 |
12461 |
76.2 |
1.8 |
0.295 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[EDO]C:405 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
16670 |
74.1 |
2.1 |
0.286 |
1 |
0 |
0 |
0.000 |
27 |
40 |
|
[GAL]G:2 |
7 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16737 |
72.7 |
1.9 |
0.391 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[EDO]C:407 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
12677 |
72.1 |
2.0 |
0.285 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[EDO]A:405 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16737 |
70.7 |
1.4 |
0.784 |
3 |
0 |
0 |
0.000 |
30 |
43 |
|
[GAL]H:2 |
6 |
1 |
293 |
cf |
[NAG]H:1 |
x,y,z |
1_555 |
8 |
1 |
366 |
67.0 |
1.3 |
0.086 |
1 |
0 |
0 |
0.000 |
31 |
44 |
|
[EDO]B:203 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
12677 |
65.9 |
2.4 |
0.969 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[GAL]G:2 |
6 |
1 |
294 |
cf |
[NAG]G:1 |
x,y,z |
1_555 |
7 |
1 |
369 |
65.7 |
1.1 |
0.109 |
1 |
0 |
0 |
0.000 |
33 |
46 |
|
[EDO]C:407 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
16670 |
65.7 |
1.4 |
0.769 |
2 |
0 |
0 |
0.000 |
34 |
47 |
|
[SIA]G:3 |
8 |
1 |
437 |
f |
[NAG]G:1 |
x,y,z |
1_555 |
6 |
1 |
369 |
62.2 |
2.2 |
0.428 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[EDO]E:404 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
17105 |
61.5 |
1.0 |
0.207 |
1 |
0 |
0 |
0.000 |
36 |
49 |
|
[GAL]I:2 |
5 |
1 |
293 |
cf |
[NAG]I:1 |
x,y,z |
1_555 |
7 |
1 |
373 |
59.2 |
1.0 |
0.113 |
1 |
0 |
0 |
0.000 |
37 |
50 |
|
[EDO]C:411 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
16670 |
56.0 |
1.4 |
0.726 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[SIA]H:3 |
8 |
1 |
436 |
cf |
[GAL]H:2 |
x,y,z |
1_555 |
4 |
1 |
293 |
54.9 |
2.3 |
0.453 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[SIA]G:3 |
8 |
1 |
437 |
cf |
[GAL]G:2 |
x,y,z |
1_555 |
4 |
1 |
294 |
54.4 |
2.4 |
0.461 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[SIA]H:3 |
8 |
1 |
436 |
f |
[NAG]H:1 |
x,y,z |
1_555 |
6 |
1 |
366 |
54.0 |
2.1 |
0.391 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
[EDO]C:409 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12677 |
53.2 |
0.7 |
0.768 |
1 |
0 |
0 |
0.000 |
42 |
55 |
|
[EDO]F:201 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
12677 |
43.6 |
1.0 |
0.837 |
1 |
0 |
0 |
0.000 |
43 |
56 |
|
[EDO]C:405 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
16737 |
42.2 |
1.3 |
0.243 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
[EDO]C:408 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
12677 |
38.5 |
0.7 |
0.662 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
[NAG]G:1 |
3 |
1 |
369 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16737 |
33.6 |
0.8 |
0.500 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[EDO]F:203 |
3 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
17105 |
29.5 |
0.5 |
0.547 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
[EDO]D:202 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
16670 |
27.4 |
-0.3 |
0.481 |
0 |
0 |
0 |
0.008 |
48 |
61 |
|
[NAG]B:201 |
3 |
1 |
358 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16670 |
24.9 |
0.7 |
0.424 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]D:201 |
3 |
1 |
359 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
17105 |
21.9 |
0.6 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
23.4 |
0.7 |
0.428 |
0 |
0 |
0 |
0.000 |
49 |
63 |
|
[NAG]H:1 |
5 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
16670 |
24.2 |
1.0 |
0.343 |
1 |
0 |
0 |
0.000 |
50 |
64 |
|
[EDO]C:405 |
2 |
1 |
184 |
f |
[EDO]C:404 |
x,y,z |
1_555 |
3 |
1 |
184 |
24.2 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
65 |
|
[EDO]E:404 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
12677 |
23.6 |
0.3 |
0.543 |
0 |
0 |
0 |
0.000 |
52 |
66 |
|
[EDO]C:412 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
16737 |
18.9 |
0.3 |
0.806 |
1 |
0 |
0 |
0.004 |
53 |
67 |
|
[NAG]I:1 |
1 |
1 |
373 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
17105 |
16.4 |
0.4 |
0.460 |
0 |
0 |
0 |
0.000 |
54 |
68 |
|
C |
2 |
1 |
16670 |
◊ |
[NAG]G:1 |
x-1,y,z |
1_455 |
2 |
1 |
369 |
10.7 |
0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
55 |
69 |
|
[NAG]B:201 |
1 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16737 |
8.9 |
0.7 |
0.820 |
0 |
0 |
0 |
0.000 |
56 |
70 |
|
[EDO]A:404 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
16670 |
8.8 |
0.5 |
0.896 |
0 |
0 |
0 |
0.000 |
57 |
71 |
|
[GAL]H:2 |
3 |
1 |
293 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
16737 |
8.2 |
0.0 |
0.186 |
0 |
0 |
0 |
0.000 |
58 |
72 |
|
C |
2 |
2 |
16670 |
◊ |
[EDO]A:405 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
8.1 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
59 |
73 |
|
E |
1 |
1 |
17105 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
16737 |
3.2 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
60 |
74 |
|
C |
1 |
1 |
16670 |
◊ |
[SIA]G:3 |
x-1,y,z |
1_455 |
1 |
1 |
437 |
1.2 |
-0.0 |
0.346 |
0 |
0 |
0 |
0.000 |
61 |
75 |
|
[NAG]B:201 |
1 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12677 |
1.2 |
0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
|