## |
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 |
70 |
21 |
11736 |
◊ |
A |
x,y,z |
1_555 |
75 |
20 |
11553 |
655.8 |
-3.3 |
0.510 |
10 |
6 |
0 |
0.000 |
2 |
2 |
|
B |
46 |
14 |
11736 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
46 |
14 |
11553 |
420.0 |
-3.6 |
0.311 |
5 |
6 |
0 |
0.000 |
3 |
3 |
|
[ADP]A:302 |
27 |
1 |
541 |
f |
A |
x,y,z |
1_555 |
64 |
30 |
11553 |
384.2 |
-5.8 |
0.535 |
7 |
0 |
0 |
0.038 |
4 |
|
[ADP]B:302 |
27 |
1 |
539 |
f |
B |
x,y,z |
1_555 |
67 |
28 |
11736 |
379.5 |
-6.9 |
0.543 |
8 |
0 |
0 |
0.038 |
Average: |
381.8 |
-6.4 |
0.539 |
8 |
0 |
0 |
0.038 |
4 |
5 |
|
A |
35 |
11 |
11553 |
x |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
45 |
14 |
11553 |
332.6 |
0.3 |
0.716 |
8 |
2 |
0 |
0.000 |
5 |
6 |
|
B |
41 |
18 |
11736 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
10 |
11553 |
319.9 |
4.1 |
0.717 |
5 |
1 |
0 |
0.000 |
6 |
7 |
|
B |
21 |
9 |
11736 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
44 |
13 |
11553 |
264.9 |
3.2 |
0.899 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
A |
25 |
10 |
11553 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
34 |
7 |
11736 |
229.2 |
-1.5 |
0.506 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
24 |
8 |
11736 |
◊ |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
25 |
7 |
11553 |
210.5 |
0.1 |
0.577 |
1 |
1 |
0 |
0.000 |
9 |
10 |
|
B |
19 |
6 |
11736 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
8 |
11736 |
206.8 |
-1.4 |
0.377 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[LIP]B:301 |
16 |
1 |
368 |
f |
B |
x,y,z |
1_555 |
42 |
21 |
11736 |
166.6 |
0.8 |
0.514 |
11 |
0 |
0 |
0.015 |
12 |
|
[LIP]A:301 |
16 |
1 |
369 |
f |
A |
x,y,z |
1_555 |
41 |
21 |
11553 |
162.6 |
1.6 |
0.566 |
11 |
0 |
0 |
0.015 |
Average: |
164.6 |
1.2 |
0.540 |
11 |
0 |
0 |
0.015 |
11 |
13 |
|
[INS]B:303 |
12 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
37 |
16 |
11736 |
114.1 |
0.9 |
0.598 |
6 |
0 |
0 |
0.006 |
14 |
|
[INS]A:303 |
12 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
11553 |
113.7 |
0.8 |
0.601 |
5 |
0 |
0 |
0.006 |
Average: |
113.9 |
0.9 |
0.600 |
6 |
0 |
0 |
0.006 |
12 |
15 |
|
B |
8 |
3 |
11736 |
x |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
13 |
6 |
11736 |
94.8 |
-1.1 |
0.233 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[INS]A:303 |
12 |
1 |
293 |
f |
[LIP]A:301 |
x,y,z |
1_555 |
15 |
1 |
369 |
91.0 |
0.4 |
0.310 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[INS]B:303 |
12 |
1 |
294 |
f |
[LIP]B:301 |
x,y,z |
1_555 |
14 |
1 |
368 |
88.6 |
0.3 |
0.286 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[IOD]A:309 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
11553 |
87.5 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
19 |
6 |
11736 |
◊ |
[IOD]A:305 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
144 |
66.7 |
-0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
10 |
3 |
11736 |
◊ |
[IOD]A:310 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
144 |
55.4 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
Average: |
69.9 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[IOD]B:305 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11736 |
84.8 |
-0.3 |
0.659 |
0 |
0 |
0 |
0.001 |
22 |
|
[IOD]A:312 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11553 |
73.6 |
-0.1 |
0.730 |
0 |
0 |
0 |
0.001 |
Average: |
79.2 |
-0.2 |
0.694 |
0 |
0 |
0 |
0.001 |
17 |
23 |
|
[IOD]A:306 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11553 |
83.3 |
0.0 |
0.762 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
B |
14 |
6 |
11736 |
f |
[EDO]A:316 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
187 |
83.2 |
1.5 |
0.191 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[IOD]A:315 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11553 |
78.6 |
-0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]A:316 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11553 |
75.5 |
1.9 |
0.267 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[IOD]B:307 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
11736 |
74.0 |
-0.3 |
0.638 |
0 |
0 |
0 |
0.001 |
22 |
28 |
|
[IOD]A:314 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11553 |
71.5 |
-0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[IOD]B:308 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11736 |
71.2 |
0.4 |
0.838 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[IOD]B:306 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11736 |
68.2 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]A:307 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11553 |
57.4 |
-0.3 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
62.8 |
-0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
B |
10 |
5 |
11736 |
f |
[IOD]A:311 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
144 |
66.3 |
-0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
B |
6 |
3 |
11736 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
3 |
11553 |
59.7 |
-0.4 |
0.501 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[IOD]A:308 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11553 |
58.0 |
0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
35 |
|
[IOD]A:308 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11736 |
57.4 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
Average: |
57.7 |
0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
B |
12 |
4 |
11736 |
f |
[IOD]A:313 |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
144 |
57.1 |
-0.3 |
0.679 |
0 |
0 |
0 |
0.001 |
29 |
37 |
|
[IOD]A:313 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11553 |
54.2 |
0.4 |
0.868 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[IOD]A:307 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11736 |
42.1 |
-0.4 |
0.561 |
0 |
0 |
0 |
0.002 |
39 |
|
[IOD]B:306 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
11553 |
36.1 |
-0.4 |
0.394 |
0 |
0 |
0 |
0.002 |
Average: |
39.1 |
-0.4 |
0.478 |
0 |
0 |
0 |
0.002 |
31 |
40 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
11553 |
36.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.018 |
41 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
11736 |
36.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
36.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.018 |
32 |
42 |
|
[IOD]A:310 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11553 |
36.7 |
-0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[IOD]A:305 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11553 |
35.9 |
-0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[ADP]B:302 |
4 |
1 |
539 |
f |
[LIP]B:301 |
x,y,z |
1_555 |
4 |
1 |
368 |
32.7 |
-1.2 |
0.372 |
0 |
0 |
0 |
0.004 |
45 |
|
[ADP]A:302 |
3 |
1 |
541 |
f |
[LIP]A:301 |
x,y,z |
1_555 |
4 |
1 |
369 |
31.1 |
-1.1 |
0.345 |
0 |
0 |
0 |
0.004 |
Average: |
31.9 |
-1.1 |
0.359 |
0 |
0 |
0 |
0.004 |
35 |
46 |
|
[IOD]B:307 |
1 |
1 |
144 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
11553 |
31.7 |
0.0 |
0.760 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[IOD]A:311 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11553 |
31.2 |
0.4 |
0.922 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
[IOD]A:310 |
1 |
1 |
144 |
f |
[IOD]A:305 |
x,y,z |
1_555 |
1 |
1 |
144 |
31.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
A |
3 |
1 |
11553 |
f |
[IOD]A:315 |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
144 |
30.9 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[IOD]A:314 |
1 |
1 |
144 |
◊ |
[IOD]A:307 |
x,y,z |
1_555 |
1 |
1 |
144 |
29.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[IOD]B:308 |
1 |
1 |
144 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
11553 |
28.1 |
0.5 |
0.918 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[ADP]A:302 |
x,y,z |
1_555 |
3 |
1 |
541 |
23.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.012 |
53 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[ADP]B:302 |
x,y,z |
1_555 |
4 |
1 |
539 |
23.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
23.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
54 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[LIP]B:301 |
x,y,z |
1_555 |
5 |
1 |
368 |
20.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
55 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[LIP]A:301 |
x,y,z |
1_555 |
5 |
1 |
369 |
20.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
20.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
43 |
56 |
|
[IOD]A:314 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11736 |
14.2 |
0.2 |
0.886 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[INS]B:303 |
x,y,z |
1_555 |
2 |
1 |
294 |
10.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
58 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[INS]A:303 |
x,y,z |
1_555 |
2 |
1 |
293 |
10.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
10.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
45 |
59 |
|
B |
1 |
1 |
11736 |
◊ |
[IOD]A:312 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
144 |
7.2 |
0.3 |
0.957 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
B |
1 |
1 |
11736 |
◊ |
[IOD]A:311 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
144 |
7.1 |
0.1 |
0.895 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[INS]B:303 |
1 |
1 |
294 |
f |
[ADP]B:302 |
x,y,z |
1_555 |
3 |
1 |
539 |
6.1 |
-0.3 |
0.304 |
0 |
0 |
0 |
0.001 |
48 |
62 |
|
[INS]A:303 |
1 |
1 |
293 |
f |
[ADP]A:302 |
x,y,z |
1_555 |
3 |
1 |
541 |
5.9 |
-0.3 |
0.297 |
0 |
0 |
0 |
0.001 |
49 |
63 |
|
A |
2 |
1 |
11553 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
11553 |
5.2 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
|