## |
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 |
60 |
22 |
11531 |
◊ |
C |
x-1,y,z |
1_455 |
66 |
22 |
11485 |
609.0 |
0.2 |
0.507 |
14 |
8 |
0 |
0.000 |
2 |
|
C |
62 |
20 |
11485 |
◊ |
B |
x,y,z |
1_555 |
64 |
21 |
11396 |
603.1 |
0.3 |
0.534 |
14 |
9 |
0 |
0.000 |
3 |
|
D |
67 |
22 |
11531 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
11556 |
588.2 |
-0.2 |
0.488 |
15 |
9 |
0 |
0.000 |
4 |
|
B |
60 |
20 |
11396 |
◊ |
A |
x,y,z |
1_555 |
62 |
20 |
11556 |
587.9 |
0.4 |
0.550 |
16 |
9 |
0 |
0.000 |
Average: |
597.1 |
0.2 |
0.519 |
15 |
9 |
0 |
0.000 |
2 |
5 |
|
D |
28 |
10 |
11531 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
4_745 |
22 |
8 |
11396 |
230.3 |
2.1 |
0.759 |
0 |
0 |
0 |
0.000 |
6 |
|
A |
25 |
8 |
11556 |
◊ |
C |
-x+5/2,-y,z-1/2 |
2_754 |
25 |
8 |
11485 |
221.3 |
1.4 |
0.699 |
1 |
0 |
0 |
0.000 |
Average: |
225.8 |
1.8 |
0.729 |
1 |
0 |
0 |
0.000 |
3 |
7 |
|
D |
26 |
8 |
11531 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
26 |
9 |
11396 |
230.0 |
0.3 |
0.490 |
3 |
0 |
0 |
0.000 |
8 |
|
C |
25 |
8 |
11485 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
4_745 |
23 |
8 |
11556 |
229.2 |
0.7 |
0.496 |
4 |
0 |
0 |
0.000 |
Average: |
229.6 |
0.5 |
0.493 |
4 |
0 |
0 |
0.000 |
4 |
9 |
|
D |
14 |
7 |
11531 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
4_645 |
16 |
6 |
11396 |
133.5 |
1.8 |
0.785 |
2 |
1 |
0 |
0.000 |
10 |
|
A |
12 |
5 |
11556 |
◊ |
C |
-x+3/2,-y,z-1/2 |
2_654 |
15 |
7 |
11485 |
123.2 |
1.7 |
0.794 |
2 |
0 |
0 |
0.000 |
Average: |
128.4 |
1.8 |
0.790 |
2 |
1 |
0 |
0.000 |
5 |
11 |
|
[IPA]D:302 |
4 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
11531 |
128.0 |
5.6 |
0.482 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
[IPA]C:303 |
4 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
11485 |
122.2 |
5.4 |
0.471 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
[EDO]A:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
11556 |
117.4 |
4.4 |
0.506 |
5 |
0 |
0 |
0.000 |
8 |
14 |
|
[EDO]B:401 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
11396 |
114.6 |
4.4 |
0.669 |
3 |
0 |
0 |
0.000 |
9 |
15 |
|
[EDO]B:407 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
11396 |
111.9 |
3.4 |
0.457 |
5 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
11485 |
111.9 |
3.5 |
0.454 |
5 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11556 |
111.6 |
3.4 |
0.472 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
[IPA]D:303 |
4 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
11531 |
107.7 |
3.7 |
0.395 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[GOL]A:308 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
23 |
8 |
11531 |
105.3 |
-0.9 |
0.411 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]A:306 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
11556 |
101.4 |
2.9 |
0.443 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]C:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
11485 |
97.8 |
3.7 |
0.474 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11396 |
95.0 |
3.2 |
0.405 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]D:301 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
11531 |
90.0 |
2.5 |
0.404 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
11396 |
88.2 |
2.8 |
0.423 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
11556 |
83.5 |
1.9 |
0.209 |
1 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11556 |
83.1 |
2.1 |
0.244 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]B:406 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11396 |
83.1 |
2.6 |
0.247 |
2 |
0 |
0 |
0.000 |
22 |
28 |
|
A |
8 |
4 |
11556 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
11396 |
82.7 |
-0.3 |
0.488 |
0 |
2 |
0 |
0.000 |
23 |
29 |
|
[IPA]C:304 |
3 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
11485 |
77.2 |
2.1 |
0.243 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
C |
16 |
5 |
11485 |
◊ |
[IPA]A:307 |
-x+2,y-1/2,-z+1/2 |
4_745 |
4 |
1 |
199 |
76.9 |
3.0 |
0.269 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[EDO]B:402 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11396 |
71.2 |
1.9 |
0.244 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
D |
6 |
2 |
11531 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
11556 |
69.5 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
D |
10 |
3 |
11531 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11485 |
67.6 |
0.4 |
0.623 |
1 |
3 |
0 |
0.000 |
28 |
34 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
11531 |
65.7 |
1.6 |
0.682 |
1 |
0 |
0 |
0.000 |
29 |
35 |
|
[EDO]A:302 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11556 |
58.8 |
1.6 |
0.702 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
[IPA]A:307 |
4 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11556 |
57.6 |
2.1 |
0.919 |
2 |
0 |
0 |
0.000 |
31 |
37 |
|
[GOL]A:308 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11556 |
57.5 |
0.9 |
0.684 |
1 |
0 |
0 |
0.000 |
32 |
38 |
|
[EDO]B:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11396 |
53.5 |
1.7 |
0.935 |
2 |
0 |
0 |
0.000 |
33 |
39 |
|
[EDO]A:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
11396 |
45.4 |
-0.2 |
0.169 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
[EDO]B:402 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
11485 |
44.7 |
-0.2 |
0.150 |
1 |
0 |
0 |
0.000 |
35 |
41 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
11556 |
44.4 |
-0.4 |
0.157 |
1 |
0 |
0 |
0.000 |
36 |
42 |
|
D |
4 |
1 |
11531 |
f |
[EDO]B:406 |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
1 |
185 |
39.6 |
0.4 |
0.653 |
1 |
0 |
0 |
0.000 |
37 |
43 |
|
[EDO]A:303 |
2 |
1 |
184 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
35.8 |
1.9 |
0.707 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[EDO]D:301 |
4 |
1 |
184 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.2 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
B |
1 |
1 |
11396 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
11485 |
34.0 |
-0.8 |
0.098 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[EDO]B:403 |
4 |
1 |
185 |
f |
[EDO]B:402 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.6 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
41 |
47 |
|
[EDO]A:303 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11396 |
31.2 |
0.3 |
0.416 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
A |
2 |
1 |
11556 |
f |
[IPA]C:304 |
-x+5/2,-y,z-1/2 |
2_754 |
3 |
1 |
196 |
29.6 |
0.4 |
0.380 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[EDO]B:403 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
11485 |
27.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[EDO]D:301 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11556 |
27.3 |
0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[IPA]C:304 |
1 |
1 |
196 |
f |
[EDO]C:302 |
x,y,z |
1_555 |
2 |
1 |
185 |
21.7 |
1.3 |
0.707 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
A |
1 |
1 |
11556 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
11556 |
2.5 |
-0.1 |
0.419 |
0 |
0 |
0 |
0.000 |
|