## |
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 |
|
B |
220 |
55 |
7045 |
◊ |
A |
x,y,z |
1_555 |
223 |
57 |
9165 |
2037.8 |
-27.4 |
0.161 |
29 |
2 |
0 |
0.841 |
2 |
|
D |
216 |
54 |
7043 |
◊ |
C |
x,y,z |
1_555 |
217 |
56 |
9154 |
2017.6 |
-27.6 |
0.124 |
29 |
2 |
0 |
0.841 |
Average: |
2027.7 |
-27.5 |
0.143 |
29 |
2 |
0 |
0.841 |
2 |
3 |
|
D |
145 |
36 |
7043 |
◊ |
B |
x,y,z |
1_555 |
145 |
36 |
7045 |
1351.5 |
-17.6 |
0.415 |
15 |
6 |
0 |
1.000 |
3 |
4 |
|
D |
43 |
12 |
7043 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
9165 |
389.0 |
2.0 |
0.850 |
8 |
3 |
0 |
0.032 |
5 |
|
B |
43 |
13 |
7045 |
◊ |
C |
x,y,z |
1_555 |
45 |
13 |
9154 |
383.9 |
1.7 |
0.830 |
8 |
4 |
0 |
0.032 |
Average: |
386.4 |
1.8 |
0.840 |
8 |
4 |
0 |
0.032 |
4 |
6 |
|
L |
30 |
4 |
715 |
◊ |
D |
x,y,z |
1_555 |
45 |
13 |
7043 |
339.1 |
-0.4 |
0.584 |
10 |
5 |
0 |
0.133 |
7 |
|
K |
31 |
4 |
714 |
◊ |
B |
x,y,z |
1_555 |
46 |
13 |
7045 |
336.8 |
-0.6 |
0.562 |
10 |
4 |
0 |
0.133 |
Average: |
337.9 |
-0.5 |
0.573 |
10 |
5 |
0 |
0.133 |
5 |
8 |
|
C |
35 |
12 |
9154 |
◊ |
A |
-x-1,y,-z |
2_455 |
37 |
12 |
9165 |
331.8 |
-6.1 |
0.142 |
0 |
0 |
0 |
0.050 |
6 |
9 |
|
C |
33 |
12 |
9154 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
9165 |
325.0 |
-3.9 |
0.284 |
2 |
0 |
0 |
0.033 |
7 |
10 |
|
B |
33 |
8 |
7045 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
41 |
10 |
9154 |
325.0 |
1.9 |
0.768 |
1 |
0 |
0 |
0.000 |
11 |
|
A |
39 |
10 |
9165 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
33 |
8 |
7043 |
322.4 |
1.8 |
0.769 |
2 |
0 |
0 |
0.000 |
Average: |
323.7 |
1.8 |
0.768 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
21 |
9 |
9165 |
◊ |
A |
-x,y,-z+1 |
2_556 |
21 |
9 |
9165 |
260.0 |
-1.8 |
0.413 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
22 |
10 |
9154 |
◊ |
C |
-x,y,-z+1 |
2_556 |
22 |
10 |
9154 |
249.4 |
-1.8 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
254.7 |
-1.8 |
0.411 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
D |
21 |
5 |
7043 |
◊ |
A |
-x-1,y,-z |
2_455 |
25 |
8 |
9165 |
228.6 |
-2.7 |
0.408 |
3 |
0 |
0 |
0.066 |
15 |
|
B |
23 |
6 |
7045 |
◊ |
C |
-x-1,y,-z |
2_455 |
23 |
7 |
9154 |
226.0 |
-2.7 |
0.407 |
3 |
0 |
0 |
0.066 |
Average: |
227.3 |
-2.7 |
0.407 |
3 |
0 |
0 |
0.066 |
10 |
16 |
|
B |
21 |
6 |
7045 |
◊ |
A |
-x,y,-z+1 |
2_556 |
23 |
9 |
9165 |
190.9 |
-0.8 |
0.622 |
3 |
2 |
0 |
0.000 |
17 |
|
D |
20 |
5 |
7043 |
◊ |
C |
-x,y,-z+1 |
2_556 |
23 |
9 |
9154 |
190.2 |
-0.1 |
0.675 |
3 |
2 |
0 |
0.000 |
Average: |
190.6 |
-0.5 |
0.648 |
3 |
2 |
0 |
0.000 |
11 |
18 |
|
L |
12 |
3 |
715 |
◊ |
C |
x,y,z |
1_555 |
25 |
11 |
9154 |
150.6 |
0.4 |
0.622 |
5 |
4 |
0 |
0.044 |
19 |
|
K |
12 |
3 |
714 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
9165 |
143.5 |
0.5 |
0.630 |
5 |
4 |
0 |
0.044 |
Average: |
147.0 |
0.4 |
0.626 |
5 |
4 |
0 |
0.044 |
12 |
20 |
|
[AZI]C:202 |
3 |
1 |
160 |
cf |
C |
x,y,z |
1_555 |
12 |
3 |
9154 |
82.1 |
1.9 |
0.593 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[AZI]A:302 |
3 |
1 |
159 |
cf |
A |
x,y,z |
1_555 |
11 |
3 |
9165 |
82.1 |
2.1 |
0.602 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[AZI]B:302 |
3 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
7045 |
79.6 |
0.5 |
0.434 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[AZI]D:302 |
3 |
1 |
160 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
7043 |
77.4 |
0.6 |
0.555 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[AZI]B:301 |
3 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
7045 |
76.0 |
0.6 |
0.559 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[AZI]A:303 |
3 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
9165 |
73.2 |
0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[AZI]C:205 |
3 |
1 |
160 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9154 |
71.8 |
0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[AZI]C:203 |
3 |
1 |
159 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
9154 |
70.2 |
0.9 |
0.650 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[AZI]A:304 |
3 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
9165 |
69.3 |
0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[ACE]K:1 |
3 |
1 |
170 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
7045 |
66.4 |
0.1 |
0.845 |
2 |
0 |
0 |
0.019 |
22 |
30 |
|
[ACE]L:1 |
3 |
1 |
169 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
7043 |
66.2 |
0.0 |
0.842 |
2 |
0 |
0 |
0.019 |
23 |
31 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
9165 |
65.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.223 |
32 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
9154 |
65.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.223 |
Average: |
65.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.223 |
24 |
33 |
|
[AZI]C:204 |
3 |
1 |
160 |
f |
C |
-x,y,-z+1 |
2_556 |
8 |
5 |
9154 |
65.4 |
-0.1 |
0.295 |
0 |
0 |
0 |
0.002 |
25 |
34 |
|
[ACE]L:1 |
3 |
1 |
169 |
cf |
L |
x,y,z |
1_555 |
9 |
2 |
715 |
61.9 |
-0.2 |
0.724 |
1 |
0 |
0 |
0.014 |
26 |
35 |
|
[ACE]K:1 |
3 |
1 |
170 |
cf |
K |
x,y,z |
1_555 |
10 |
2 |
714 |
60.8 |
-0.3 |
0.699 |
1 |
0 |
0 |
0.017 |
27 |
36 |
|
[AZI]A:304 |
3 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7045 |
53.2 |
0.3 |
0.335 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[AZI]C:203 |
3 |
1 |
159 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
7043 |
52.1 |
0.4 |
0.335 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[NA]D:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
9154 |
48.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.109 |
30 |
39 |
|
[AZI]C:204 |
3 |
1 |
160 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9154 |
47.3 |
0.6 |
0.393 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
[NA]D:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
6 |
7043 |
44.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.097 |
32 |
41 |
|
[AZI]D:302 |
3 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
9165 |
43.3 |
0.6 |
0.431 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
B |
8 |
2 |
7045 |
◊ |
[AZI]C:202 |
-x-1/2,y-1/2,-z+1 |
4_446 |
3 |
1 |
160 |
42.2 |
0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[AZI]A:302 |
3 |
1 |
159 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
7 |
2 |
7043 |
41.9 |
0.4 |
0.421 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[AZI]B:301 |
3 |
1 |
160 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
9154 |
40.0 |
0.4 |
0.323 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[0QE]K:6 |
1 |
1 |
129 |
cf |
K |
x,y,z |
1_555 |
7 |
2 |
714 |
39.3 |
1.3 |
0.588 |
0 |
0 |
0 |
0.000 |
46 |
|
[0QE]L:6 |
1 |
1 |
129 |
cf |
L |
x,y,z |
1_555 |
6 |
2 |
715 |
38.7 |
1.3 |
0.569 |
0 |
0 |
0 |
0.000 |
Average: |
39.0 |
1.3 |
0.578 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[0QE]L:6 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9154 |
36.4 |
1.3 |
0.690 |
0 |
0 |
0 |
0.000 |
48 |
|
[0QE]K:6 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9165 |
32.9 |
1.2 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
34.6 |
1.2 |
0.703 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
B |
2 |
1 |
7045 |
◊ |
B |
-x-1,y,-z |
2_455 |
2 |
1 |
7045 |
35.2 |
-1.1 |
0.140 |
0 |
0 |
0 |
0.002 |
50 |
|
D |
4 |
1 |
7043 |
◊ |
D |
-x-1,y,-z |
2_455 |
4 |
1 |
7043 |
33.3 |
0.4 |
0.797 |
0 |
0 |
0 |
0.002 |
Average: |
34.2 |
-0.4 |
0.469 |
0 |
0 |
0 |
0.002 |
39 |
51 |
|
[0QE]K:6 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7045 |
34.8 |
1.1 |
0.781 |
0 |
0 |
0 |
0.000 |
52 |
|
[0QE]L:6 |
1 |
1 |
129 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
7043 |
33.4 |
1.0 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
34.1 |
1.0 |
0.776 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[AZI]D:302 |
2 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
7045 |
31.9 |
-0.0 |
0.277 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
[AZI]B:301 |
2 |
1 |
160 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7043 |
31.8 |
0.3 |
0.556 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
K |
4 |
3 |
714 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
2 |
9165 |
30.5 |
-0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
56 |
|
L |
3 |
2 |
715 |
◊ |
C |
-x,y,-z+1 |
2_556 |
6 |
2 |
9154 |
29.4 |
-0.2 |
0.429 |
0 |
0 |
0 |
0.000 |
Average: |
29.9 |
-0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
[AZI]C:205 |
1 |
1 |
160 |
◊ |
D |
-x,y,-z+1 |
2_556 |
1 |
1 |
7043 |
13.6 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[AZI]B:302 |
1 |
1 |
160 |
f |
[AZI]B:301 |
x,y,z |
1_555 |
2 |
1 |
160 |
13.4 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
59 |
|
[AZI]B:302 |
1 |
1 |
160 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
9154 |
9.3 |
0.1 |
0.896 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
[AZI]A:303 |
1 |
1 |
159 |
f |
B |
-x,y,-z+1 |
2_556 |
1 |
1 |
7045 |
8.5 |
0.2 |
0.526 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7043 |
6.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
62 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7045 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
6.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.010 |
48 |
63 |
|
[NA]D:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9165 |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
49 |
64 |
|
[AZI]A:302 |
2 |
1 |
159 |
◊ |
C |
-x-1,y,-z |
2_455 |
1 |
1 |
9154 |
3.3 |
-0.0 |
0.216 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[AZI]C:202 |
1 |
1 |
160 |
◊ |
A |
-x-1,y,-z |
2_455 |
1 |
1 |
9165 |
2.4 |
-0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
D |
1 |
1 |
7043 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
9154 |
1.0 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
52 |
67 |
|
C |
1 |
1 |
9154 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
7043 |
0.2 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
|