## |
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 |
|
C |
204 |
57 |
11819 |
◊ |
B |
x,y,z |
1_555 |
204 |
55 |
12523 |
1855.6 |
-27.7 |
0.014 |
16 |
4 |
0 |
0.554 |
2 |
|
D |
192 |
51 |
11710 |
◊ |
A |
x,y,z |
1_555 |
192 |
53 |
11754 |
1728.6 |
-28.3 |
0.011 |
15 |
5 |
0 |
0.554 |
Average: |
1792.1 |
-28.0 |
0.013 |
16 |
5 |
0 |
0.554 |
2 |
3 |
|
B |
162 |
43 |
12523 |
◊ |
A |
x,y,z |
1_555 |
169 |
45 |
11754 |
1486.0 |
-23.9 |
0.016 |
17 |
2 |
0 |
0.536 |
4 |
|
D |
166 |
43 |
11710 |
◊ |
C |
x,y,z |
1_555 |
169 |
41 |
11819 |
1482.4 |
-23.6 |
0.016 |
18 |
2 |
0 |
0.536 |
Average: |
1484.2 |
-23.8 |
0.016 |
18 |
2 |
0 |
0.536 |
3 |
5 |
|
[NAP]B:301 |
47 |
1 |
894 |
f |
B |
x,y,z |
1_555 |
87 |
31 |
12523 |
670.8 |
-2.6 |
0.629 |
14 |
0 |
0 |
0.319 |
6 |
|
[NAP]A:301 |
48 |
1 |
892 |
f |
A |
x,y,z |
1_555 |
93 |
35 |
11754 |
661.1 |
-2.0 |
0.642 |
16 |
0 |
0 |
0.319 |
7 |
|
[NAP]C:301 |
48 |
1 |
889 |
f |
C |
x,y,z |
1_555 |
90 |
33 |
11819 |
657.3 |
-2.3 |
0.629 |
18 |
0 |
0 |
0.319 |
8 |
|
[NAP]D:301 |
47 |
1 |
885 |
f |
D |
x,y,z |
1_555 |
92 |
34 |
11710 |
655.0 |
-2.6 |
0.645 |
15 |
0 |
0 |
0.319 |
Average: |
661.1 |
-2.4 |
0.636 |
16 |
0 |
0 |
0.319 |
4 |
9 |
|
A |
58 |
15 |
11754 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
54 |
17 |
12523 |
478.5 |
0.5 |
0.736 |
7 |
5 |
0 |
0.000 |
10 |
|
C |
44 |
14 |
11819 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
15 |
11710 |
407.3 |
-0.4 |
0.678 |
5 |
4 |
0 |
0.000 |
Average: |
442.9 |
0.1 |
0.707 |
6 |
5 |
0 |
0.000 |
5 |
11 |
|
D |
48 |
15 |
11710 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
12523 |
425.5 |
-1.0 |
0.619 |
6 |
0 |
0 |
0.044 |
12 |
|
C |
47 |
15 |
11819 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
11754 |
424.0 |
-2.3 |
0.486 |
6 |
0 |
0 |
0.044 |
Average: |
424.8 |
-1.7 |
0.553 |
6 |
0 |
0 |
0.044 |
6 |
13 |
|
A |
43 |
13 |
11754 |
◊ |
C |
x-1,y,z |
1_455 |
42 |
13 |
11819 |
380.7 |
-1.5 |
0.548 |
5 |
4 |
0 |
0.031 |
7 |
14 |
|
B |
39 |
15 |
12523 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
51 |
16 |
11819 |
354.4 |
2.5 |
0.833 |
3 |
4 |
0 |
0.000 |
8 |
15 |
|
B |
28 |
5 |
12523 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
9 |
11710 |
250.3 |
-3.9 |
0.214 |
2 |
0 |
0 |
0.000 |
16 |
|
A |
8 |
5 |
11754 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
11819 |
52.4 |
0.4 |
0.514 |
0 |
0 |
0 |
0.000 |
Average: |
151.4 |
-1.7 |
0.364 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
B |
25 |
9 |
12523 |
◊ |
D |
x,y-1,z |
1_545 |
20 |
7 |
11710 |
219.3 |
3.1 |
0.900 |
7 |
12 |
0 |
0.000 |
10 |
18 |
|
[TLA]B:302 |
10 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
12523 |
144.5 |
0.3 |
0.548 |
13 |
0 |
0 |
0.092 |
11 |
19 |
|
[TLA]A:302 |
10 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
23 |
14 |
11754 |
141.4 |
0.3 |
0.546 |
13 |
0 |
0 |
0.179 |
20 |
|
[TLA]C:302 |
10 |
1 |
265 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
11819 |
140.7 |
0.3 |
0.504 |
13 |
0 |
0 |
0.179 |
21 |
|
[TLA]D:302 |
10 |
1 |
265 |
f |
D |
x,y,z |
1_555 |
23 |
14 |
11710 |
140.3 |
0.3 |
0.515 |
13 |
0 |
0 |
0.179 |
Average: |
140.8 |
0.3 |
0.522 |
13 |
0 |
0 |
0.179 |
12 |
22 |
|
B |
14 |
5 |
12523 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
11819 |
119.4 |
1.0 |
0.794 |
2 |
6 |
0 |
0.000 |
13 |
23 |
|
[TLA]A:303 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
11754 |
111.8 |
0.5 |
0.509 |
4 |
0 |
0 |
0.022 |
14 |
24 |
|
[TLA]C:303 |
9 |
1 |
269 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
11819 |
111.4 |
0.3 |
0.501 |
4 |
0 |
0 |
0.024 |
15 |
25 |
|
[TLA]B:303 |
9 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
12523 |
111.2 |
0.5 |
0.552 |
4 |
0 |
0 |
0.021 |
26 |
|
[TLA]D:303 |
9 |
1 |
267 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
11710 |
110.0 |
1.2 |
0.629 |
4 |
0 |
0 |
0.021 |
Average: |
110.6 |
0.9 |
0.590 |
4 |
0 |
0 |
0.021 |
16 |
27 |
|
D |
12 |
4 |
11710 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
4 |
11754 |
104.6 |
-1.4 |
0.356 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[EDO]C:304 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
11819 |
98.9 |
3.2 |
0.491 |
2 |
0 |
0 |
0.000 |
18 |
29 |
|
[EDO]B:304 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
12523 |
94.7 |
2.8 |
0.447 |
1 |
0 |
0 |
0.000 |
19 |
30 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
4 |
11754 |
94.2 |
2.9 |
0.462 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
[EDO]B:306 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
12523 |
93.7 |
2.4 |
0.440 |
1 |
0 |
0 |
0.000 |
21 |
32 |
|
[EDO]C:306 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
11819 |
92.5 |
2.6 |
0.428 |
2 |
0 |
0 |
0.000 |
22 |
33 |
|
[EDO]D:304 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
11710 |
69.9 |
1.8 |
0.263 |
2 |
0 |
0 |
0.000 |
34 |
|
[EDO]C:305 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
11819 |
69.8 |
1.8 |
0.257 |
2 |
0 |
0 |
0.000 |
Average: |
69.9 |
1.8 |
0.260 |
2 |
0 |
0 |
0.000 |
23 |
35 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11754 |
69.4 |
1.8 |
0.256 |
2 |
0 |
0 |
0.000 |
36 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12523 |
69.4 |
1.7 |
0.259 |
2 |
0 |
0 |
0.000 |
Average: |
69.4 |
1.8 |
0.258 |
2 |
0 |
0 |
0.000 |
24 |
37 |
|
[EDO]A:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
11754 |
68.2 |
1.7 |
0.843 |
2 |
0 |
0 |
0.000 |
25 |
38 |
|
[EDO]D:304 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
11819 |
59.8 |
1.2 |
0.231 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]B:305 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
11754 |
58.8 |
1.2 |
0.227 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]C:305 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
11710 |
58.3 |
1.2 |
0.240 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:304 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
12523 |
58.3 |
1.2 |
0.239 |
0 |
0 |
0 |
0.000 |
Average: |
58.8 |
1.2 |
0.235 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
A |
10 |
4 |
11754 |
f |
[EDO]B:304 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
184 |
53.1 |
0.8 |
0.701 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[EDO]C:304 |
4 |
1 |
185 |
f |
D |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
5 |
11710 |
50.6 |
0.6 |
0.753 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
[TLA]A:302 |
3 |
1 |
267 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
9 |
1 |
892 |
44.5 |
0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
45 |
|
[TLA]D:302 |
3 |
1 |
265 |
f |
[NAP]D:301 |
x,y,z |
1_555 |
9 |
1 |
885 |
44.0 |
0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
46 |
|
[TLA]C:302 |
3 |
1 |
265 |
f |
[NAP]C:301 |
x,y,z |
1_555 |
8 |
1 |
889 |
43.2 |
0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
Average: |
43.9 |
0.1 |
0.478 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
[TLA]B:302 |
3 |
1 |
267 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
9 |
1 |
894 |
42.6 |
0.1 |
0.483 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
[TLA]B:303 |
x,y,z |
1_555 |
6 |
1 |
269 |
40.1 |
0.4 |
0.532 |
3 |
0 |
0 |
0.016 |
49 |
|
[EDO]D:304 |
4 |
1 |
185 |
f |
[TLA]D:303 |
x,y,z |
1_555 |
5 |
1 |
267 |
38.7 |
0.3 |
0.684 |
3 |
0 |
0 |
0.016 |
Average: |
39.4 |
0.4 |
0.608 |
3 |
0 |
0 |
0.016 |
31 |
50 |
|
[EDO]C:305 |
4 |
1 |
185 |
f |
[TLA]C:303 |
x,y,z |
1_555 |
6 |
1 |
269 |
39.8 |
-0.1 |
0.532 |
3 |
0 |
0 |
0.023 |
32 |
51 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
[TLA]A:303 |
x,y,z |
1_555 |
6 |
1 |
265 |
38.3 |
1.1 |
0.736 |
3 |
0 |
0 |
0.004 |
33 |
52 |
|
[EDO]C:306 |
3 |
1 |
184 |
f |
D |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
3 |
11710 |
36.5 |
0.8 |
0.913 |
2 |
0 |
0 |
0.000 |
34 |
53 |
|
[EDO]C:306 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12523 |
31.6 |
0.3 |
0.465 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
[EDO]B:306 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
11710 |
28.0 |
0.4 |
0.573 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
B |
1 |
1 |
12523 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
12523 |
18.3 |
-0.1 |
0.333 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[TLA]A:303 |
4 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12523 |
15.1 |
-0.2 |
0.391 |
0 |
0 |
0 |
0.003 |
38 |
57 |
|
[EDO]A:306 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
11819 |
14.7 |
0.2 |
0.381 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
[TLA]C:303 |
4 |
1 |
269 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
11710 |
12.4 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
[TLA]D:303 |
4 |
1 |
267 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
11819 |
10.4 |
0.0 |
0.453 |
0 |
0 |
0 |
0.000 |
60 |
|
[TLA]B:303 |
4 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
11754 |
10.3 |
0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
Average: |
10.3 |
0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
41 |
61 |
|
[EDO]A:305 |
1 |
1 |
185 |
f |
C |
x-1,y,z |
1_455 |
1 |
1 |
11819 |
2.2 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
42 |
62 |
|
[NAP]B:301 |
2 |
1 |
894 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
11819 |
1.8 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
|