## |
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 |
|
E |
149 |
42 |
16491 |
◊ |
C |
x,y,z |
1_555 |
170 |
52 |
16540 |
1457.8 |
-17.5 |
0.132 |
19 |
7 |
0 |
0.361 |
2 |
|
E |
170 |
51 |
16491 |
◊ |
A |
x,y,z |
1_555 |
148 |
41 |
16355 |
1457.0 |
-17.0 |
0.143 |
16 |
6 |
0 |
0.361 |
3 |
|
C |
144 |
41 |
16540 |
◊ |
A |
x,y,z |
1_555 |
175 |
50 |
16355 |
1438.6 |
-16.2 |
0.187 |
17 |
5 |
0 |
0.361 |
Average: |
1451.1 |
-16.9 |
0.154 |
17 |
6 |
0 |
0.361 |
2 |
4 |
|
B |
108 |
29 |
11476 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
109 |
31 |
11525 |
994.4 |
-7.7 |
0.956 |
14 |
0 |
0 |
1.000 |
3 |
5 |
|
F |
54 |
15 |
11791 |
◊ |
E |
x,y,z |
1_555 |
58 |
15 |
16491 |
565.6 |
-13.5 |
0.033 |
1 |
0 |
0 |
0.290 |
6 |
|
B |
51 |
15 |
11476 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
16355 |
558.1 |
-13.2 |
0.035 |
1 |
0 |
0 |
0.290 |
7 |
|
D |
52 |
15 |
11525 |
◊ |
C |
x,y,z |
1_555 |
57 |
14 |
16540 |
557.8 |
-13.1 |
0.033 |
1 |
0 |
0 |
0.290 |
Average: |
560.5 |
-13.3 |
0.034 |
1 |
0 |
0 |
0.290 |
4 |
8 |
|
B |
38 |
12 |
11476 |
◊ |
E |
x,y,z |
1_555 |
54 |
14 |
16491 |
444.8 |
-12.2 |
0.020 |
3 |
0 |
0 |
0.260 |
9 |
|
F |
41 |
11 |
11791 |
◊ |
C |
x,y,z |
1_555 |
54 |
14 |
16540 |
443.9 |
-12.2 |
0.025 |
2 |
0 |
0 |
0.260 |
10 |
|
D |
38 |
11 |
11525 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
16355 |
419.4 |
-11.4 |
0.026 |
3 |
0 |
0 |
0.260 |
Average: |
436.1 |
-11.9 |
0.024 |
3 |
0 |
0 |
0.260 |
5 |
11 |
|
E |
33 |
11 |
16491 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
33 |
11 |
16491 |
276.5 |
-4.7 |
0.214 |
0 |
0 |
0 |
0.003 |
12 |
|
C |
32 |
12 |
16540 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
31 |
10 |
16355 |
268.9 |
-4.8 |
0.197 |
0 |
0 |
0 |
0.003 |
Average: |
272.7 |
-4.7 |
0.205 |
0 |
0 |
0 |
0.003 |
6 |
13 |
|
[C8E]A:402 |
17 |
1 |
626 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
11525 |
226.7 |
-2.3 |
0.295 |
0 |
0 |
0 |
0.047 |
7 |
14 |
|
[C8E]E:401 |
16 |
1 |
628 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
16355 |
192.2 |
0.0 |
0.208 |
0 |
0 |
0 |
0.000 |
15 |
|
[C8E]A:401 |
13 |
1 |
557 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
16540 |
177.8 |
2.4 |
0.317 |
0 |
0 |
0 |
0.000 |
Average: |
185.0 |
1.2 |
0.262 |
0 |
0 |
0 |
0.000 |
8 |
16 |
|
[C8E]E:401 |
14 |
1 |
628 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
16491 |
158.5 |
3.7 |
0.520 |
1 |
0 |
0 |
0.000 |
17 |
|
[C8E]A:401 |
12 |
1 |
557 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
16355 |
150.4 |
3.6 |
0.425 |
1 |
0 |
0 |
0.000 |
Average: |
154.4 |
3.7 |
0.472 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
[KDO]C:404 |
12 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
16540 |
139.8 |
-0.7 |
0.582 |
2 |
0 |
0 |
0.031 |
10 |
19 |
|
[KDO]A:406 |
11 |
1 |
345 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
16355 |
137.0 |
-2.5 |
0.412 |
4 |
0 |
0 |
0.090 |
11 |
20 |
|
[C8E]A:402 |
11 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
16355 |
119.5 |
-3.5 |
0.125 |
0 |
0 |
0 |
0.074 |
12 |
21 |
|
[Z9M]E:402 |
12 |
1 |
375 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
16491 |
97.4 |
3.3 |
0.205 |
2 |
0 |
0 |
0.000 |
22 |
|
[Z9M]A:404 |
11 |
1 |
379 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
16355 |
95.4 |
2.4 |
0.152 |
3 |
0 |
0 |
0.000 |
Average: |
96.4 |
2.9 |
0.178 |
3 |
0 |
0 |
0.000 |
13 |
23 |
|
F |
12 |
4 |
11791 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
11525 |
96.8 |
-2.4 |
0.306 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[Z9M]C:402 |
9 |
1 |
381 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
16540 |
85.5 |
2.8 |
0.191 |
2 |
0 |
0 |
0.000 |
15 |
25 |
|
[L1L]E:404 |
8 |
1 |
367 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
16491 |
81.0 |
0.6 |
0.211 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[SO4]C:408 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
16540 |
78.1 |
-10.8 |
0.833 |
3 |
0 |
0 |
0.232 |
17 |
27 |
|
[SO4]E:407 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
16491 |
76.9 |
-10.7 |
0.819 |
4 |
0 |
0 |
0.233 |
18 |
28 |
|
[SO4]A:409 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
16355 |
75.4 |
-10.5 |
0.753 |
2 |
0 |
0 |
0.242 |
19 |
29 |
|
[KDO]A:405 |
8 |
1 |
360 |
cf |
[Z9M]A:404 |
x,y,z |
1_555 |
7 |
1 |
379 |
75.3 |
2.0 |
0.270 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[SO4]E:408 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
16491 |
73.9 |
-10.8 |
0.713 |
4 |
0 |
0 |
0.234 |
21 |
31 |
|
[SO4]C:406 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
16540 |
72.5 |
-8.5 |
0.969 |
5 |
0 |
0 |
0.205 |
22 |
32 |
|
[SO4]C:407 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
16540 |
72.2 |
-10.3 |
0.720 |
3 |
0 |
0 |
0.222 |
23 |
33 |
|
[L1L]A:407 |
9 |
1 |
368 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16355 |
71.7 |
-0.4 |
0.109 |
0 |
0 |
0 |
0.008 |
24 |
34 |
|
[SO4]A:408 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
16355 |
71.6 |
-8.0 |
0.982 |
3 |
0 |
0 |
0.198 |
25 |
35 |
|
[SO4]E:406 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
16491 |
69.3 |
-7.7 |
0.966 |
5 |
0 |
0 |
0.185 |
26 |
36 |
|
[KDO]C:404 |
9 |
1 |
355 |
cf |
[KDO]C:403 |
x,y,z |
1_555 |
6 |
1 |
360 |
64.2 |
0.6 |
0.571 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[KDO]A:406 |
9 |
1 |
345 |
cf |
[KDO]A:405 |
x,y,z |
1_555 |
5 |
1 |
360 |
62.6 |
1.3 |
0.577 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[KDO]C:403 |
7 |
1 |
360 |
cf |
[Z9M]C:402 |
x,y,z |
1_555 |
5 |
1 |
381 |
61.5 |
1.8 |
0.459 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
[SO4]A:409 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
16540 |
55.3 |
-7.4 |
0.596 |
1 |
0 |
0 |
0.037 |
30 |
40 |
|
[KDO]E:403 |
5 |
1 |
340 |
cf |
[Z9M]E:402 |
x,y,z |
1_555 |
4 |
1 |
375 |
54.5 |
1.5 |
0.426 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[SO4]C:408 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
16491 |
53.6 |
-7.1 |
0.597 |
1 |
0 |
0 |
0.036 |
32 |
42 |
|
[SO4]E:407 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
16355 |
52.9 |
-7.0 |
0.593 |
1 |
0 |
0 |
0.035 |
33 |
43 |
|
[L1L]C:405 |
6 |
1 |
367 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
16540 |
52.1 |
0.4 |
0.255 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[L1L]E:404 |
2 |
1 |
367 |
cf |
[Z9M]E:402 |
x,y,z |
1_555 |
4 |
1 |
375 |
48.1 |
2.2 |
0.428 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[L1L]A:407 |
2 |
1 |
368 |
cf |
[Z9M]A:404 |
x,y,z |
1_555 |
5 |
1 |
379 |
47.1 |
2.0 |
0.285 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[L1L]A:407 |
6 |
1 |
368 |
f |
[KDO]A:405 |
x,y,z |
1_555 |
5 |
1 |
360 |
46.7 |
2.0 |
0.343 |
2 |
0 |
0 |
0.000 |
37 |
47 |
|
[L1L]C:405 |
1 |
1 |
367 |
cf |
[Z9M]C:402 |
x,y,z |
1_555 |
5 |
1 |
381 |
45.5 |
2.0 |
0.278 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[CA]E:405 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
16491 |
35.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.152 |
49 |
|
[CA]C:401 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
16540 |
31.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.152 |
50 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16355 |
30.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.152 |
Average: |
32.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.152 |
39 |
51 |
|
[KDO]E:403 |
4 |
1 |
340 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
16491 |
34.0 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[L1L]C:405 |
7 |
1 |
367 |
f |
[KDO]C:403 |
x,y,z |
1_555 |
4 |
1 |
360 |
33.7 |
0.7 |
0.238 |
2 |
0 |
0 |
0.003 |
41 |
53 |
|
[KDO]E:403 |
4 |
1 |
340 |
f |
[CA]E:405 |
x,y,z |
1_555 |
1 |
1 |
85 |
28.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.096 |
42 |
54 |
|
[KDO]A:406 |
6 |
1 |
345 |
f |
[CA]A:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
28.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.117 |
43 |
55 |
|
[KDO]C:404 |
6 |
1 |
355 |
f |
[Z9M]C:402 |
x,y,z |
1_555 |
5 |
1 |
381 |
27.8 |
1.6 |
0.318 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[KDO]C:404 |
4 |
1 |
355 |
f |
[CA]C:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.105 |
45 |
57 |
|
[SO4]E:408 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16355 |
25.2 |
-3.2 |
0.791 |
0 |
0 |
0 |
0.015 |
46 |
58 |
|
[C8E]E:401 |
3 |
1 |
628 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11476 |
24.1 |
0.5 |
0.503 |
0 |
0 |
0 |
0.000 |
59 |
|
[C8E]A:401 |
2 |
1 |
557 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11525 |
18.1 |
0.3 |
0.469 |
0 |
0 |
0 |
0.000 |
Average: |
21.1 |
0.4 |
0.486 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
[SO4]C:407 |
2 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
16491 |
19.1 |
-2.5 |
0.758 |
0 |
0 |
0 |
0.012 |
48 |
61 |
|
[KDO]A:406 |
4 |
1 |
345 |
f |
[Z9M]A:404 |
x,y,z |
1_555 |
3 |
1 |
379 |
17.3 |
0.8 |
0.332 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
[KDO]A:405 |
2 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
16355 |
13.4 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.006 |
50 |
63 |
|
[L1L]E:404 |
1 |
1 |
367 |
f |
[KDO]E:403 |
x,y,z |
1_555 |
2 |
1 |
340 |
6.8 |
0.4 |
0.467 |
0 |
0 |
0 |
0.000 |
51 |
64 |
|
[KDO]A:405 |
1 |
1 |
360 |
f |
[CA]A:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
52 |
65 |
|
[Z9M]E:402 |
1 |
1 |
375 |
f |
[CA]E:405 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
53 |
66 |
|
[KDO]A:406 |
1 |
1 |
345 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
16540 |
1.2 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
54 |
67 |
|
[L1L]C:405 |
1 |
1 |
367 |
f |
[KDO]C:404 |
x,y,z |
1_555 |
1 |
1 |
355 |
0.5 |
0.0 |
0.258 |
0 |
0 |
0 |
0.000 |
|