## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
169 |
41 |
6671 |
◊ |
A |
x,y,z |
1_555 |
165 |
41 |
6553 |
1630.8 |
-20.4 |
0.278 |
31 |
8 |
0 |
0.791 |
2 |
|
B |
59 |
17 |
6671 |
◊ |
B |
-x,-y,z |
10_444 |
59 |
17 |
6671 |
504.1 |
-1.4 |
0.785 |
6 |
2 |
0 |
0.000 |
3 |
|
A |
65 |
15 |
6553 |
◊ |
A |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
64 |
14 |
6553 |
498.3 |
-3.4 |
0.685 |
8 |
6 |
0 |
0.000 |
4 |
|
[3TL]A:108 |
50 |
1 |
1232 |
◊ |
A |
x,y,z |
1_555 |
56 |
20 |
6553 |
480.0 |
-1.8 |
0.825 |
8 |
0 |
0 |
0.119 |
5 |
|
[3TL]A:108 |
42 |
1 |
1232 |
f |
B |
x,y,z |
1_555 |
53 |
18 |
6671 |
427.1 |
-5.2 |
0.664 |
6 |
0 |
0 |
0.345 |
6 |
|
A |
38 |
13 |
6553 |
◊ |
B |
-y,x-1/2,z+1/4 |
3_545 |
30 |
13 |
6671 |
346.7 |
-3.3 |
0.505 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
33 |
10 |
6553 |
◊ |
A |
-x-1/2,y,-z+3/4 |
5_455 |
34 |
10 |
6553 |
302.6 |
-0.1 |
0.805 |
2 |
0 |
0 |
0.000 |
8 |
|
[06B]B:102 |
13 |
1 |
374 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
6671 |
165.9 |
1.8 |
0.422 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
18 |
5 |
6553 |
x |
A |
-y-1/2,x,z-1/4 |
11_444 |
16 |
7 |
6553 |
142.5 |
-2.2 |
0.442 |
0 |
0 |
0 |
0.000 |
10 |
|
[06B]B:104 |
14 |
1 |
349 |
f |
[06B]B:103 |
x,y,z |
1_555 |
14 |
1 |
363 |
97.8 |
3.0 |
0.239 |
0 |
0 |
0 |
0.000 |
11 |
|
[NO3]A:105 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
6553 |
96.2 |
1.3 |
0.641 |
0 |
0 |
0 |
0.000 |
12 |
|
[BME]A:103 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
6553 |
94.6 |
-1.3 |
0.388 |
2 |
0 |
0 |
0.195 |
13 |
|
[DMS]A:104 |
4 |
1 |
204 |
◊ |
A |
-y-1/2,x,z-1/4 |
11_444 |
15 |
6 |
6553 |
92.0 |
2.4 |
0.581 |
0 |
0 |
0 |
0.000 |
14 |
|
[NO3]A:107 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
6553 |
91.6 |
1.2 |
0.625 |
3 |
0 |
0 |
0.009 |
15 |
|
[06B]B:103 |
9 |
1 |
363 |
f |
[3TL]A:108 |
x,y,z |
1_555 |
16 |
1 |
1232 |
78.9 |
-0.0 |
0.515 |
0 |
0 |
0 |
0.002 |
16 |
|
[06B]B:103 |
14 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6671 |
77.7 |
0.7 |
0.211 |
1 |
0 |
0 |
0.000 |
17 |
|
[06B]B:104 |
10 |
1 |
349 |
f |
[3TL]A:108 |
x,y,z |
1_555 |
14 |
1 |
1232 |
77.0 |
-1.3 |
0.166 |
0 |
0 |
0 |
0.059 |
18 |
|
[06B]B:103 |
7 |
1 |
363 |
◊ |
B |
-x,-y,z |
10_444 |
13 |
4 |
6671 |
75.8 |
0.8 |
0.495 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
4 |
2 |
6671 |
◊ |
A |
x,-y-1/2,-z+1/4 |
6_545 |
7 |
3 |
6553 |
71.0 |
-0.4 |
0.557 |
1 |
2 |
0 |
0.000 |
20 |
|
[NO3]A:101 |
4 |
1 |
165 |
◊ |
A |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
13 |
7 |
6553 |
67.5 |
1.2 |
0.662 |
2 |
0 |
0 |
0.000 |
21 |
|
[DMS]B:105 |
4 |
1 |
206 |
f |
B |
-x,-y,z |
10_444 |
10 |
4 |
6671 |
67.0 |
1.5 |
0.524 |
0 |
0 |
0 |
0.000 |
22 |
|
[3TL]A:108 |
9 |
1 |
1232 |
◊ |
B |
x,-y-1/2,-z+1/4 |
6_545 |
9 |
4 |
6671 |
65.0 |
-2.5 |
0.281 |
0 |
0 |
0 |
0.000 |
23 |
|
[BME]A:103 |
4 |
1 |
207 |
◊ |
B |
-y,x-1/2,z+1/4 |
3_545 |
11 |
4 |
6671 |
63.3 |
-1.0 |
0.400 |
0 |
0 |
0 |
0.000 |
24 |
|
[DMS]B:105 |
4 |
1 |
206 |
◊ |
[DMS]B:105 |
-x,-y,z |
10_444 |
4 |
1 |
206 |
62.9 |
2.7 |
0.246 |
0 |
0 |
0 |
0.000 |
25 |
|
[06B]B:102 |
6 |
1 |
374 |
◊ |
A |
x,-y-1/2,-z+1/4 |
6_545 |
10 |
5 |
6553 |
62.3 |
2.0 |
0.640 |
0 |
0 |
0 |
0.000 |
26 |
|
[06B]B:104 |
9 |
1 |
349 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
6553 |
61.6 |
-0.6 |
0.181 |
0 |
0 |
0 |
0.013 |
27 |
|
[DMS]B:105 |
4 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6671 |
61.5 |
1.5 |
0.508 |
0 |
0 |
0 |
0.000 |
28 |
|
[06B]B:104 |
12 |
1 |
349 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6671 |
60.4 |
1.8 |
0.436 |
1 |
0 |
0 |
0.000 |
29 |
|
[NO3]A:102 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
6553 |
58.4 |
0.4 |
0.419 |
1 |
0 |
0 |
0.006 |
30 |
|
[06B]B:104 |
5 |
1 |
349 |
◊ |
B |
-x,-y,z |
10_444 |
11 |
4 |
6671 |
58.4 |
1.5 |
0.682 |
0 |
0 |
0 |
0.000 |
31 |
|
[NO3]A:102 |
4 |
1 |
165 |
◊ |
A |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
10 |
3 |
6553 |
56.1 |
1.3 |
0.524 |
2 |
0 |
0 |
0.000 |
32 |
|
[NO3]A:106 |
4 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
6553 |
56.1 |
1.1 |
0.908 |
1 |
0 |
0 |
0.000 |
33 |
|
[NO3]A:101 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6553 |
54.0 |
0.9 |
0.528 |
2 |
0 |
0 |
0.000 |
34 |
|
[NO3]B:101 |
4 |
1 |
166 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6671 |
50.6 |
0.9 |
0.527 |
4 |
0 |
0 |
0.039 |
35 |
|
B |
11 |
3 |
6671 |
f |
[NO3]A:106 |
-y-1/2,x,z-1/4 |
11_444 |
4 |
1 |
165 |
49.1 |
0.4 |
0.420 |
0 |
0 |
0 |
0.000 |
36 |
|
[NO3]B:101 |
4 |
1 |
166 |
◊ |
B |
-x,-y,z |
10_444 |
13 |
5 |
6671 |
48.3 |
0.9 |
0.535 |
3 |
0 |
0 |
0.000 |
37 |
|
[06B]B:103 |
4 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6553 |
44.5 |
0.5 |
0.569 |
0 |
0 |
0 |
0.000 |
38 |
|
[NO3]B:101 |
4 |
1 |
166 |
◊ |
[NO3]B:101 |
-x,-y,z |
10_444 |
4 |
1 |
166 |
42.8 |
1.0 |
0.320 |
0 |
0 |
0 |
0.000 |
39 |
|
[DMS]A:104 |
4 |
1 |
204 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6553 |
42.6 |
-0.6 |
0.269 |
0 |
0 |
0 |
0.049 |
40 |
|
[NO3]A:106 |
4 |
1 |
165 |
◊ |
B |
-y,x-1/2,z+1/4 |
3_545 |
8 |
3 |
6671 |
41.6 |
0.4 |
0.814 |
0 |
0 |
0 |
0.000 |
41 |
|
[DMS]A:104 |
3 |
1 |
204 |
◊ |
A |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
2 |
1 |
6553 |
36.2 |
1.5 |
0.444 |
1 |
0 |
0 |
0.000 |
42 |
|
B |
3 |
2 |
6671 |
◊ |
A |
-y-1/2,x,z-1/4 |
11_444 |
3 |
3 |
6553 |
29.3 |
0.6 |
0.517 |
0 |
0 |
0 |
0.000 |
43 |
|
[NO3]A:102 |
2 |
1 |
165 |
◊ |
A |
-y-1/2,x,z-1/4 |
11_444 |
4 |
2 |
6553 |
24.2 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
44 |
|
[NO3]A:107 |
4 |
1 |
165 |
◊ |
B |
-y,x-1/2,z+1/4 |
3_545 |
5 |
3 |
6671 |
22.8 |
-0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
45 |
|
[3TL]A:108 |
2 |
1 |
1232 |
◊ |
[3TL]A:108 |
x,-y-1/2,-z+1/4 |
6_545 |
2 |
1 |
1232 |
20.0 |
-0.6 |
0.477 |
0 |
0 |
0 |
0.000 |
46 |
|
[06B]B:104 |
3 |
1 |
349 |
◊ |
A |
-y-1/2,x,z-1/4 |
11_444 |
2 |
1 |
6553 |
14.7 |
1.0 |
0.664 |
0 |
0 |
0 |
0.000 |
47 |
|
[3TL]A:108 |
2 |
1 |
1232 |
◊ |
A |
-y-1/2,x,z-1/4 |
11_444 |
1 |
1 |
6553 |
14.3 |
-0.5 |
0.324 |
0 |
0 |
0 |
0.000 |
48 |
|
[BME]A:103 |
1 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6671 |
9.2 |
-0.5 |
0.327 |
0 |
0 |
0 |
0.012 |
49 |
|
[BME]A:103 |
1 |
1 |
207 |
f |
[NO3]A:107 |
x,y,z |
1_555 |
1 |
1 |
165 |
7.8 |
0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
50 |
|
[DMS]A:104 |
1 |
1 |
204 |
f |
[NO3]A:102 |
x,y,z |
1_555 |
1 |
1 |
165 |
4.8 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
51 |
|
[06B]B:103 |
1 |
1 |
363 |
◊ |
A |
-y-1/2,x,z-1/4 |
11_444 |
1 |
1 |
6553 |
1.0 |
-0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
52 |
|
[NO3]A:101 |
1 |
1 |
165 |
◊ |
[NO3]A:101 |
-y-1/2,-x-1/2,-z+1/2 |
16_445 |
1 |
1 |
165 |
0.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[06B]B:102 |
1 |
1 |
374 |
◊ |
[3TL]A:108 |
x,-y-1/2,-z+1/4 |
6_545 |
1 |
1 |
1232 |
0.6 |
0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
54 |
|
[3TL]A:108 |
1 |
1 |
1232 |
◊ |
B |
-x,-y,z |
10_444 |
1 |
1 |
6671 |
0.1 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
|