## |
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 |
|
D |
94 |
25 |
8730 |
◊ |
B |
x,y,z |
1_555 |
107 |
40 |
25666 |
1021.2 |
-1.0 |
0.579 |
21 |
6 |
0 |
1.000 |
2 |
|
C |
95 |
25 |
8853 |
◊ |
A |
x,y,z |
1_555 |
110 |
40 |
25440 |
1007.0 |
0.5 |
0.572 |
26 |
8 |
0 |
1.000 |
Average: |
1014.1 |
-0.3 |
0.575 |
24 |
7 |
0 |
1.000 |
2 |
3 |
|
B |
69 |
24 |
25666 |
◊ |
A |
x,y,z |
1_555 |
68 |
27 |
25440 |
642.0 |
1.0 |
0.642 |
4 |
2 |
0 |
0.280 |
3 |
4 |
|
B |
55 |
17 |
25666 |
◊ |
A |
-x-1,y,-z-1 |
2_454 |
57 |
17 |
25440 |
536.7 |
-2.4 |
0.364 |
7 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
51 |
14 |
8853 |
◊ |
B |
x,y,z |
1_555 |
67 |
18 |
25666 |
527.5 |
-6.7 |
0.152 |
4 |
2 |
0 |
1.000 |
6 |
|
D |
51 |
12 |
8730 |
◊ |
A |
x,y,z |
1_555 |
61 |
17 |
25440 |
505.2 |
-7.6 |
0.103 |
4 |
1 |
0 |
1.000 |
Average: |
516.4 |
-7.2 |
0.128 |
4 |
2 |
0 |
1.000 |
5 |
7 |
|
[LP4]D:202 |
35 |
1 |
976 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
8730 |
449.6 |
-7.5 |
0.123 |
4 |
0 |
0 |
1.000 |
8 |
|
[LP4]C:202 |
35 |
1 |
981 |
f |
C |
x,y,z |
1_555 |
65 |
25 |
8853 |
449.1 |
-8.0 |
0.088 |
3 |
0 |
0 |
1.000 |
Average: |
449.4 |
-7.8 |
0.105 |
4 |
0 |
0 |
1.000 |
6 |
9 |
|
[LP5]D:203 |
37 |
1 |
1053 |
f |
D |
x,y,z |
1_555 |
62 |
19 |
8730 |
429.3 |
-7.4 |
0.183 |
3 |
0 |
0 |
1.000 |
10 |
|
[LP5]C:203 |
36 |
1 |
1052 |
f |
C |
x,y,z |
1_555 |
61 |
20 |
8853 |
426.2 |
-7.0 |
0.175 |
2 |
0 |
0 |
1.000 |
Average: |
427.7 |
-7.2 |
0.179 |
3 |
0 |
0 |
1.000 |
7 |
11 |
|
B |
45 |
14 |
25666 |
◊ |
B |
-x,y,-z |
2_555 |
45 |
14 |
25666 |
374.6 |
1.0 |
0.659 |
7 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
35 |
8 |
25440 |
◊ |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
39 |
11 |
25666 |
354.1 |
-0.2 |
0.542 |
3 |
1 |
0 |
0.000 |
9 |
13 |
|
A |
38 |
13 |
25440 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
8 |
25666 |
326.8 |
0.9 |
0.616 |
3 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
31 |
12 |
25666 |
x |
B |
-x-1/2,y-1/2,-z |
4_445 |
33 |
12 |
25666 |
273.6 |
0.3 |
0.599 |
8 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
30 |
8 |
25666 |
◊ |
A |
-x,y,-z |
2_555 |
30 |
13 |
25440 |
257.7 |
-2.1 |
0.279 |
2 |
1 |
0 |
0.000 |
12 |
16 |
|
D |
26 |
8 |
8730 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
29 |
8 |
25440 |
242.8 |
-2.5 |
0.348 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
A |
27 |
10 |
25440 |
◊ |
A |
-x-1,y,-z-2 |
2_453 |
27 |
10 |
25440 |
212.8 |
-0.3 |
0.519 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[MYR]D:205 |
14 |
1 |
487 |
f |
D |
x,y,z |
1_555 |
30 |
15 |
8730 |
209.4 |
-0.4 |
0.096 |
1 |
0 |
0 |
0.333 |
19 |
|
[MYR]C:205 |
14 |
1 |
484 |
f |
C |
x,y,z |
1_555 |
32 |
15 |
8853 |
208.9 |
-0.4 |
0.089 |
0 |
0 |
0 |
0.333 |
Average: |
209.2 |
-0.4 |
0.093 |
1 |
0 |
0 |
0.333 |
15 |
20 |
|
A |
23 |
7 |
25440 |
x |
A |
-x-1/2,y-1/2,-z-1 |
4_444 |
21 |
5 |
25440 |
205.4 |
-1.3 |
0.369 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[LP5]C:203 |
15 |
1 |
1052 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
25666 |
179.4 |
-0.5 |
0.458 |
2 |
0 |
0 |
0.726 |
22 |
|
[LP5]D:203 |
17 |
1 |
1053 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
25440 |
177.4 |
-0.5 |
0.481 |
2 |
0 |
0 |
0.726 |
Average: |
178.4 |
-0.5 |
0.470 |
2 |
0 |
0 |
0.726 |
17 |
23 |
|
[DAO]D:204 |
13 |
1 |
432 |
f |
D |
x,y,z |
1_555 |
27 |
10 |
8730 |
162.5 |
0.8 |
0.087 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[DAO]C:204 |
11 |
1 |
432 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
8853 |
159.9 |
1.1 |
0.128 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[NAG]A:704 |
12 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
25 |
11 |
25440 |
154.8 |
4.2 |
0.483 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
[NAG]B:704 |
12 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
23 |
12 |
25666 |
150.8 |
3.6 |
0.430 |
1 |
0 |
0 |
0.000 |
21 |
27 |
|
[MYR]D:205 |
13 |
1 |
487 |
cf |
[LP4]D:202 |
x,y,z |
1_555 |
20 |
1 |
976 |
150.3 |
2.5 |
0.230 |
0 |
0 |
0 |
0.000 |
28 |
|
[MYR]C:205 |
15 |
1 |
484 |
cf |
[LP4]C:202 |
x,y,z |
1_555 |
20 |
1 |
981 |
149.1 |
2.7 |
0.162 |
0 |
0 |
0 |
0.000 |
Average: |
149.7 |
2.6 |
0.196 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[LP5]D:203 |
17 |
1 |
1053 |
cf |
[LP4]D:202 |
x,y,z |
1_555 |
16 |
1 |
976 |
149.7 |
1.5 |
0.669 |
1 |
0 |
0 |
0.000 |
30 |
|
[LP5]C:203 |
15 |
1 |
1052 |
cf |
[LP4]C:202 |
x,y,z |
1_555 |
17 |
1 |
981 |
148.7 |
2.6 |
0.711 |
1 |
0 |
0 |
0.000 |
Average: |
149.2 |
2.0 |
0.690 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
[NAG]A:702 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
21 |
12 |
25440 |
148.6 |
4.2 |
0.477 |
4 |
0 |
0 |
0.000 |
32 |
|
[NAG]B:702 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
23 |
14 |
25666 |
145.8 |
3.8 |
0.429 |
4 |
0 |
0 |
0.000 |
Average: |
147.2 |
4.0 |
0.453 |
4 |
0 |
0 |
0.000 |
24 |
33 |
|
[DAO]C:204 |
13 |
1 |
432 |
f |
[LP5]C:203 |
x,y,z |
1_555 |
18 |
1 |
1052 |
146.1 |
2.9 |
0.175 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[DAO]D:204 |
12 |
1 |
432 |
f |
[LP5]D:203 |
x,y,z |
1_555 |
23 |
1 |
1053 |
138.9 |
2.8 |
0.219 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[NAG]A:701 |
11 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
25440 |
122.7 |
2.2 |
0.277 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[NAG]B:701 |
9 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
15 |
6 |
25666 |
107.2 |
2.0 |
0.327 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[KDO]C:206 |
8 |
1 |
366 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
25440 |
90.9 |
0.5 |
0.656 |
3 |
0 |
0 |
0.231 |
29 |
38 |
|
[NAG]D:201 |
8 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
12 |
3 |
8730 |
83.7 |
2.2 |
0.400 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]C:201 |
8 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
10 |
2 |
8853 |
80.7 |
2.2 |
0.396 |
0 |
0 |
0 |
0.000 |
Average: |
82.2 |
2.2 |
0.398 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[KDO]D:206 |
8 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
25666 |
82.1 |
0.3 |
0.636 |
4 |
0 |
0 |
0.381 |
31 |
41 |
|
[LP4]C:202 |
11 |
1 |
981 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
25440 |
77.0 |
1.6 |
0.717 |
2 |
0 |
0 |
0.000 |
42 |
|
[LP4]D:202 |
11 |
1 |
976 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
25666 |
66.7 |
1.4 |
0.716 |
2 |
0 |
0 |
0.000 |
Average: |
71.9 |
1.5 |
0.717 |
2 |
0 |
0 |
0.000 |
32 |
43 |
|
[NAG]B:705 |
10 |
1 |
362 |
cf |
[NAG]B:704 |
x,y,z |
1_555 |
7 |
1 |
361 |
68.6 |
1.7 |
0.069 |
1 |
0 |
0 |
0.000 |
33 |
44 |
|
[NAG]A:705 |
9 |
1 |
359 |
cf |
[NAG]A:704 |
x,y,z |
1_555 |
6 |
1 |
359 |
68.6 |
1.9 |
0.088 |
1 |
0 |
0 |
0.000 |
34 |
45 |
|
[NAG]A:703 |
10 |
1 |
362 |
cf |
[NAG]A:702 |
x,y,z |
1_555 |
7 |
1 |
362 |
68.6 |
2.0 |
0.075 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]B:703 |
9 |
1 |
356 |
cf |
[NAG]B:702 |
x,y,z |
1_555 |
7 |
1 |
360 |
67.0 |
1.6 |
0.083 |
1 |
0 |
0 |
0.000 |
Average: |
67.8 |
1.8 |
0.079 |
1 |
0 |
0 |
0.000 |
35 |
47 |
|
[NAG]B:704 |
8 |
1 |
361 |
f |
[NAG]B:702 |
x,y,z |
1_555 |
8 |
1 |
360 |
67.7 |
2.4 |
0.138 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[KDO]D:206 |
9 |
1 |
360 |
cf |
[LP4]D:202 |
x,y,z |
1_555 |
6 |
1 |
976 |
64.8 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[KDO]C:206 |
8 |
1 |
366 |
cf |
[LP4]C:202 |
x,y,z |
1_555 |
8 |
1 |
981 |
64.3 |
2.0 |
0.696 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[NAG]A:704 |
10 |
1 |
359 |
f |
[NAG]A:702 |
x,y,z |
1_555 |
8 |
1 |
362 |
64.3 |
2.0 |
0.079 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
D |
6 |
2 |
8730 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
11 |
4 |
8853 |
59.5 |
0.8 |
0.761 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[NAG]B:704 |
7 |
1 |
361 |
f |
[NAG]B:703 |
x,y,z |
1_555 |
7 |
1 |
356 |
59.4 |
2.3 |
0.185 |
1 |
0 |
0 |
0.000 |
41 |
53 |
|
[NAG]B:705 |
4 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
25666 |
58.3 |
1.2 |
0.356 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
[NAG]A:705 |
8 |
1 |
359 |
f |
[NAG]A:702 |
x,y,z |
1_555 |
6 |
1 |
362 |
58.1 |
2.0 |
0.114 |
2 |
0 |
0 |
0.000 |
43 |
55 |
|
[NAG]A:705 |
6 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
25440 |
56.0 |
1.1 |
0.246 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[NAG]B:705 |
7 |
1 |
362 |
f |
[NAG]B:702 |
x,y,z |
1_555 |
6 |
1 |
360 |
55.4 |
1.7 |
0.133 |
1 |
0 |
0 |
0.000 |
45 |
57 |
|
[NAG]B:703 |
5 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
25666 |
55.1 |
1.4 |
0.418 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[DAO]D:204 |
5 |
1 |
432 |
cf |
[LP4]D:202 |
x,y,z |
1_555 |
8 |
1 |
976 |
53.8 |
2.1 |
0.332 |
0 |
0 |
0 |
0.000 |
47 |
59 |
|
[NAG]A:704 |
6 |
1 |
359 |
f |
[NAG]A:703 |
x,y,z |
1_555 |
7 |
1 |
362 |
53.4 |
1.6 |
0.117 |
1 |
0 |
0 |
0.000 |
48 |
60 |
|
[NAG]A:703 |
4 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
25440 |
52.3 |
1.3 |
0.491 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
[DAO]C:204 |
5 |
1 |
432 |
cf |
[LP4]C:202 |
x,y,z |
1_555 |
8 |
1 |
981 |
51.8 |
2.3 |
0.350 |
0 |
0 |
0 |
0.000 |
50 |
62 |
|
[MYR]C:205 |
6 |
1 |
484 |
f |
[DAO]C:204 |
x,y,z |
1_555 |
6 |
1 |
432 |
48.9 |
3.1 |
0.189 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
[KDO]D:206 |
6 |
1 |
360 |
f |
[LP5]D:203 |
x,y,z |
1_555 |
6 |
1 |
1053 |
48.7 |
2.3 |
0.795 |
0 |
0 |
0 |
0.000 |
52 |
64 |
|
[MYR]D:205 |
6 |
1 |
487 |
f |
[DAO]D:204 |
x,y,z |
1_555 |
6 |
1 |
432 |
48.5 |
3.0 |
0.182 |
0 |
0 |
0 |
0.000 |
53 |
65 |
|
A |
6 |
1 |
25440 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
8853 |
46.3 |
0.6 |
0.759 |
0 |
0 |
0 |
0.000 |
54 |
66 |
|
D |
5 |
1 |
8730 |
◊ |
D |
-x,y,-z |
2_555 |
5 |
1 |
8730 |
42.0 |
-0.5 |
0.499 |
0 |
0 |
0 |
0.000 |
55 |
67 |
|
[NAG]B:705 |
5 |
1 |
362 |
f |
[NAG]B:703 |
x,y,z |
1_555 |
4 |
1 |
356 |
39.2 |
1.1 |
0.184 |
1 |
0 |
0 |
0.000 |
56 |
68 |
|
[KDO]C:206 |
6 |
1 |
366 |
f |
[LP5]C:203 |
x,y,z |
1_555 |
4 |
1 |
1052 |
34.9 |
2.1 |
0.779 |
0 |
0 |
0 |
0.000 |
57 |
69 |
|
[KDO]D:206 |
5 |
1 |
360 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
8730 |
31.9 |
0.5 |
0.691 |
1 |
0 |
0 |
0.000 |
58 |
70 |
|
[MYR]C:205 |
5 |
1 |
484 |
f |
[LP5]C:203 |
x,y,z |
1_555 |
3 |
1 |
1052 |
31.7 |
0.2 |
0.214 |
0 |
0 |
0 |
0.000 |
71 |
|
[MYR]D:205 |
3 |
1 |
487 |
f |
[LP5]D:203 |
x,y,z |
1_555 |
4 |
1 |
1053 |
30.7 |
0.2 |
0.319 |
0 |
0 |
0 |
0.000 |
Average: |
31.2 |
0.2 |
0.267 |
0 |
0 |
0 |
0.000 |
59 |
72 |
|
[NAG]A:705 |
5 |
1 |
359 |
f |
[NAG]A:703 |
x,y,z |
1_555 |
5 |
1 |
362 |
30.8 |
1.1 |
0.136 |
0 |
0 |
0 |
0.000 |
60 |
73 |
|
[NAG]A:701 |
6 |
1 |
365 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
1 |
25666 |
30.0 |
0.9 |
0.313 |
0 |
0 |
0 |
0.000 |
61 |
74 |
|
[MYR]C:205 |
2 |
1 |
484 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
25440 |
21.8 |
1.0 |
0.603 |
0 |
0 |
0 |
0.000 |
75 |
|
[MYR]D:205 |
2 |
1 |
487 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
25666 |
18.7 |
1.0 |
0.601 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
1.0 |
0.602 |
0 |
0 |
0 |
0.000 |
62 |
76 |
|
[LP5]D:203 |
2 |
1 |
1053 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
25666 |
11.9 |
0.3 |
0.701 |
0 |
0 |
0 |
0.000 |
63 |
77 |
|
[KDO]C:206 |
5 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
8853 |
11.4 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.012 |
|