## |
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 |
67 |
20 |
14040 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
14082 |
588.6 |
0.5 |
0.558 |
8 |
5 |
0 |
0.000 |
2 |
|
A |
65 |
20 |
14082 |
◊ |
B |
x,y,z-1 |
1_554 |
63 |
20 |
14040 |
583.6 |
-0.7 |
0.463 |
8 |
4 |
0 |
0.000 |
Average: |
586.1 |
-0.1 |
0.510 |
8 |
5 |
0 |
0.000 |
2 |
3 |
|
A |
48 |
13 |
14082 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
15 |
14040 |
418.2 |
1.1 |
0.616 |
5 |
0 |
0 |
0.000 |
4 |
|
A |
54 |
15 |
14082 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
48 |
13 |
14040 |
411.7 |
1.0 |
0.617 |
5 |
0 |
0 |
0.000 |
Average: |
414.9 |
1.0 |
0.617 |
5 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
38 |
14 |
14040 |
x |
B |
x-1,y,z |
1_455 |
40 |
11 |
14040 |
335.6 |
-1.1 |
0.413 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
39 |
10 |
14082 |
x |
A |
x-1,y,z |
1_455 |
35 |
12 |
14082 |
314.6 |
-0.9 |
0.425 |
2 |
0 |
0 |
0.000 |
Average: |
325.1 |
-1.0 |
0.419 |
2 |
0 |
0 |
0.000 |
4 |
7 |
|
[EDO]A:3020 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
14082 |
120.0 |
3.0 |
0.396 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[EDO]A:3016 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
14082 |
115.7 |
4.4 |
0.692 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[EDO]B:3013 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14040 |
115.4 |
4.4 |
0.691 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]A:3017 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
14082 |
115.2 |
3.8 |
0.448 |
3 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:3015 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
14040 |
113.5 |
3.7 |
0.444 |
3 |
0 |
0 |
0.000 |
Average: |
114.3 |
3.7 |
0.446 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[EDO]B:3014 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
14040 |
111.7 |
2.9 |
0.351 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]B:3008 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
14040 |
109.0 |
3.4 |
0.391 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:3007 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
14082 |
99.0 |
2.9 |
0.396 |
1 |
0 |
0 |
0.000 |
Average: |
104.0 |
3.2 |
0.394 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]A:3002 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
14082 |
108.7 |
3.9 |
0.615 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]B:3003 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
14040 |
107.6 |
3.9 |
0.616 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]B:3009 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
14040 |
106.2 |
3.6 |
0.467 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]A:3021 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
14082 |
104.0 |
3.3 |
0.395 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]A:3006 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
14082 |
103.2 |
4.4 |
0.663 |
5 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:3004 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
14040 |
102.9 |
4.4 |
0.662 |
5 |
0 |
0 |
0.000 |
Average: |
103.1 |
4.4 |
0.662 |
5 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]B:3018 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
14040 |
101.9 |
3.3 |
0.390 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]A:3025 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
14082 |
101.2 |
3.7 |
0.480 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]A:3019 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14082 |
99.6 |
2.6 |
0.264 |
3 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]B:3001 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14040 |
99.2 |
3.3 |
0.463 |
2 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]A:3011 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
14082 |
98.8 |
3.5 |
0.470 |
1 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]B:3010 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
14040 |
94.3 |
2.7 |
0.277 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]A:3023 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14082 |
89.4 |
2.9 |
0.381 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]A:3012 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
14082 |
80.4 |
2.5 |
0.282 |
2 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:3022 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14040 |
77.8 |
2.5 |
0.281 |
2 |
0 |
0 |
0.000 |
Average: |
79.1 |
2.5 |
0.282 |
2 |
0 |
0 |
0.000 |
23 |
30 |
|
[PO4]A:2003 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14082 |
80.2 |
-4.4 |
0.816 |
2 |
0 |
0 |
0.000 |
24 |
31 |
|
[EDO]A:3024 |
4 |
1 |
184 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
3 |
14040 |
72.6 |
1.5 |
0.213 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[EDO]B:3005 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14040 |
72.3 |
2.7 |
0.589 |
1 |
0 |
0 |
0.000 |
26 |
33 |
|
[EDO]A:3024 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14082 |
61.1 |
1.7 |
0.798 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
[CA]A:2002 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14082 |
45.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[CA]B:2001 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
14040 |
45.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
45.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]B:3022 |
2 |
1 |
185 |
f |
[EDO]B:3010 |
x,y,z |
1_555 |
3 |
1 |
184 |
35.2 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
29 |
37 |
|
A |
3 |
1 |
14082 |
f |
[EDO]B:3010 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
35.1 |
1.5 |
0.651 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]A:3020 |
2 |
1 |
184 |
f |
[EDO]A:3019 |
x,y,z |
1_555 |
2 |
1 |
183 |
32.4 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[PO4]A:2003 |
4 |
1 |
189 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
14040 |
29.9 |
-1.8 |
0.659 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[EDO]A:3019 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14040 |
28.8 |
1.3 |
0.894 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[EDO]B:3005 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
14082 |
26.6 |
0.2 |
0.664 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[EDO]A:3012 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
14040 |
26.2 |
0.9 |
0.507 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
4 |
1 |
14082 |
f |
[EDO]B:3022 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
25.5 |
0.9 |
0.732 |
0 |
0 |
0 |
0.000 |
Average: |
25.8 |
0.9 |
0.620 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[EDO]A:3024 |
3 |
1 |
184 |
◊ |
[EDO]A:3007 |
x,y,z |
1_555 |
2 |
1 |
183 |
26.2 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
A |
5 |
3 |
14082 |
f |
[EDO]B:3008 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
184 |
25.1 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[EDO]A:3007 |
3 |
1 |
183 |
f |
B |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
3 |
14040 |
24.0 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
[EDO]A:3002 |
3 |
1 |
184 |
f |
[CA]A:2002 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
[EDO]B:3003 |
3 |
1 |
183 |
f |
[CA]B:2001 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[EDO]A:3025 |
2 |
1 |
184 |
f |
A |
x-1,y,z |
1_455 |
2 |
1 |
14082 |
12.0 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[EDO]A:3021 |
1 |
1 |
186 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
14040 |
8.6 |
0.4 |
0.913 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
A |
2 |
2 |
14082 |
f |
[EDO]B:3018 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
185 |
7.7 |
0.4 |
0.917 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
B |
1 |
1 |
14040 |
f |
[EDO]B:3009 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
6.2 |
-0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
A |
2 |
1 |
14082 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
14040 |
5.5 |
-0.1 |
0.494 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
1 |
1 |
14082 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
14040 |
5.0 |
-0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
Average: |
5.3 |
-0.1 |
0.421 |
0 |
0 |
0 |
0.000 |
|