| ## |
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 |
|
A |
115 |
33 |
14012 |
◊ |
B |
x,y-1,z |
1_545 |
118 |
33 |
13934 |
1044.6 |
-8.7 |
0.178 |
3 |
7 |
0 |
0.078 |
| 2 |
2 |
|
B |
50 |
13 |
13934 |
◊ |
A |
x-1,y,z |
1_455 |
54 |
15 |
14012 |
462.0 |
-3.5 |
0.330 |
1 |
3 |
0 |
0.000 |
| 3 |
3 |
|
B |
35 |
15 |
13934 |
◊ |
A |
x-y,-y+1,-z+1/3 |
5_565 |
36 |
13 |
14012 |
344.8 |
-0.7 |
0.351 |
0 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
36 |
13 |
14012 |
◊ |
B |
y-1,x,-z |
4_455 |
36 |
12 |
13934 |
304.9 |
0.1 |
0.635 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
32 |
10 |
13934 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
14012 |
262.8 |
1.1 |
0.683 |
2 |
6 |
0 |
0.000 |
| 6 |
6 |
|
[ONT]A:401 |
9 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
36 |
12 |
14012 |
221.4 |
-4.5 |
0.444 |
0 |
0 |
0 |
0.032 |
| 7 |
7 |
|
[ONT]B:401 |
9 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
33 |
12 |
13934 |
213.9 |
-4.5 |
0.424 |
0 |
0 |
0 |
0.032 |
| 8 |
8 |
|
[AG2]A:403 |
9 |
1 |
333 |
cf |
A |
x,y,z |
1_555 |
38 |
13 |
14012 |
201.7 |
0.8 |
0.542 |
5 |
0 |
0 |
0.019 |
9 |
|
[AG2]B:402 |
9 |
1 |
333 |
cf |
B |
x,y,z |
1_555 |
37 |
12 |
13934 |
200.9 |
0.9 |
0.562 |
5 |
0 |
0 |
0.019 |
| Average: |
201.3 |
0.9 |
0.552 |
5 |
0 |
0 |
0.019 |
| 9 |
10 |
|
[JFN]A:404 |
6 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
14012 |
148.8 |
-2.7 |
0.563 |
0 |
0 |
0 |
0.019 |
| 10 |
11 |
|
[ONT]B:403 |
8 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
13934 |
137.6 |
-2.7 |
0.561 |
0 |
0 |
0 |
0.019 |
| 11 |
12 |
|
[ONT]A:406 |
8 |
1 |
327 |
f |
A |
x,y,z |
1_555 |
27 |
7 |
14012 |
133.4 |
-2.2 |
0.600 |
0 |
0 |
0 |
0.015 |
| 12 |
13 |
|
[JFN]A:409 |
6 |
1 |
249 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
14012 |
130.0 |
-2.2 |
0.580 |
0 |
0 |
0 |
0.015 |
| 13 |
14 |
|
[JFN]A:407 |
6 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14012 |
126.6 |
-1.3 |
0.671 |
1 |
0 |
0 |
0.012 |
| 14 |
15 |
|
[JFN]B:410 |
6 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
13934 |
123.5 |
0.0 |
0.798 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[JFN]A:402 |
6 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
14012 |
122.5 |
-2.1 |
0.508 |
0 |
0 |
0 |
0.015 |
| 16 |
17 |
|
[JFN]B:408 |
5 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13934 |
121.2 |
-2.5 |
0.399 |
0 |
0 |
0 |
0.018 |
| 17 |
18 |
|
[JFN]A:405 |
5 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14012 |
118.3 |
-0.5 |
0.744 |
1 |
0 |
0 |
0.006 |
| 18 |
19 |
|
[JFN]A:410 |
6 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14012 |
108.2 |
-1.2 |
0.593 |
0 |
0 |
0 |
0.009 |
| 19 |
20 |
|
[JFN]B:405 |
6 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
13934 |
104.8 |
-2.6 |
0.529 |
0 |
0 |
0 |
0.018 |
| 20 |
21 |
|
[SO4]B:413 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13934 |
102.3 |
-13.5 |
0.855 |
3 |
0 |
0 |
0.104 |
| 21 |
22 |
|
[JFN]B:407 |
6 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
13934 |
100.6 |
-1.0 |
0.612 |
0 |
0 |
0 |
0.007 |
| 22 |
23 |
|
[JFN]B:411 |
5 |
1 |
249 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13934 |
91.9 |
-1.4 |
0.543 |
0 |
0 |
0 |
0.010 |
| 23 |
24 |
|
A |
12 |
5 |
14012 |
f |
[SO4]B:412 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
91.4 |
-11.5 |
0.835 |
0 |
0 |
0 |
0.081 |
| 24 |
25 |
|
[JFN]B:409 |
4 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13934 |
88.4 |
-1.4 |
0.555 |
0 |
0 |
0 |
0.010 |
| 25 |
26 |
|
[SO4]A:412 |
5 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
9 |
4 |
13934 |
87.5 |
-11.5 |
0.772 |
0 |
0 |
0 |
0.081 |
| 26 |
27 |
|
[JFN]B:406 |
5 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13934 |
80.0 |
-1.2 |
0.563 |
0 |
0 |
0 |
0.008 |
| 27 |
28 |
|
[JFN]A:408 |
5 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14012 |
75.7 |
-0.3 |
0.816 |
0 |
0 |
0 |
0.002 |
| 28 |
29 |
|
[SO4]A:412 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
14012 |
68.0 |
-8.7 |
0.878 |
3 |
0 |
0 |
0.070 |
| 29 |
30 |
|
[ONW]A:411 |
5 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14012 |
66.4 |
-0.7 |
0.586 |
0 |
0 |
0 |
0.005 |
| 30 |
31 |
|
[SO4]B:412 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13934 |
63.7 |
-7.5 |
0.919 |
2 |
0 |
0 |
0.059 |
| 31 |
32 |
|
[JFN]B:404 |
4 |
1 |
253 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
5 |
14012 |
60.3 |
-0.1 |
0.669 |
1 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[SO4]B:414 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
13934 |
59.8 |
-8.0 |
0.542 |
0 |
0 |
0 |
0.056 |
| 33 |
34 |
|
B |
10 |
6 |
13934 |
◊ |
[JFN]A:407 |
x-1,y,z |
1_455 |
3 |
1 |
241 |
59.4 |
-0.7 |
0.654 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[JFN]B:409 |
5 |
1 |
253 |
◊ |
A |
x-y,-y+1,-z+1/3 |
5_565 |
8 |
2 |
14012 |
56.7 |
-0.3 |
0.680 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[ONW]A:411 |
7 |
1 |
395 |
f |
[ONT]A:406 |
x,y,z |
1_555 |
4 |
1 |
327 |
56.2 |
-0.5 |
0.795 |
0 |
0 |
0 |
0.003 |
| 36 |
37 |
|
[CL]B:415 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
13934 |
49.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.044 |
| 37 |
38 |
|
[CL]A:413 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
14012 |
43.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.039 |
| 38 |
39 |
|
[CL]A:416 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
14012 |
42.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.038 |
| 39 |
40 |
|
[JFN]B:404 |
5 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
13934 |
40.8 |
-0.8 |
0.187 |
0 |
0 |
0 |
0.006 |
| 40 |
41 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
14012 |
38.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| 41 |
42 |
|
A |
3 |
1 |
14012 |
◊ |
[JFN]B:406 |
y-1,x,-z |
4_455 |
1 |
1 |
250 |
31.2 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[CL]A:414 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14012 |
31.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| 43 |
44 |
|
[JFN]A:404 |
3 |
1 |
250 |
f |
[ONT]A:401 |
x,y,z |
1_555 |
3 |
1 |
334 |
26.8 |
0.0 |
0.890 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[JFN]A:409 |
2 |
1 |
249 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13934 |
24.3 |
-0.6 |
0.375 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[ONW]A:411 |
2 |
1 |
395 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
13934 |
24.3 |
-0.5 |
0.450 |
0 |
0 |
0 |
0.004 |
| 46 |
47 |
|
[JFN]B:411 |
2 |
1 |
249 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
14012 |
22.5 |
0.5 |
0.828 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
B |
2 |
2 |
13934 |
◊ |
[JFN]A:405 |
x-y,-y+1,-z+1/3 |
5_565 |
3 |
1 |
246 |
21.1 |
0.2 |
0.873 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
B |
3 |
1 |
13934 |
◊ |
[CL]A:414 |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
125 |
18.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[CL]A:416 |
1 |
1 |
125 |
◊ |
B |
y-1,x,-z |
4_455 |
3 |
1 |
13934 |
17.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
[ONT]A:406 |
x,y,z |
1_555 |
1 |
1 |
327 |
15.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| 51 |
52 |
|
[JFN]B:407 |
1 |
1 |
253 |
◊ |
[JFN]B:407 |
x-y+1,-y+2,-z+1/3 |
5_675 |
1 |
1 |
253 |
15.4 |
-0.5 |
0.667 |
0 |
0 |
0 |
0.000 |
| 52 |
53 |
|
[JFN]B:409 |
1 |
1 |
253 |
◊ |
[CL]A:414 |
x-y,-y+1,-z+1/3 |
5_565 |
1 |
1 |
125 |
9.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[JFN]B:404 |
2 |
1 |
253 |
◊ |
[ONT]A:406 |
x-1,y,z |
1_455 |
1 |
1 |
327 |
8.4 |
-0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
A |
1 |
1 |
14012 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
1 |
1 |
14012 |
5.3 |
0.4 |
0.887 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[JFN]A:410 |
2 |
1 |
252 |
f |
[JFN]A:402 |
x,y,z |
1_555 |
1 |
1 |
252 |
5.1 |
-0.2 |
0.720 |
0 |
0 |
0 |
0.001 |
| 56 |
57 |
|
A |
2 |
1 |
14012 |
◊ |
[SO4]B:413 |
y-1,x,-z |
4_455 |
1 |
1 |
185 |
4.2 |
-0.4 |
0.889 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
A |
1 |
1 |
14012 |
◊ |
[JFN]B:407 |
x,y-1,z |
1_545 |
1 |
1 |
253 |
1.6 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[CL]A:415 |
1 |
1 |
125 |
f |
[ONW]A:411 |
x,y,z |
1_555 |
1 |
1 |
395 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|