## |
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 |
95 |
26 |
10374 |
◊ |
A |
x,y,z |
1_555 |
96 |
26 |
10117 |
856.9 |
1.4 |
0.965 |
17 |
8 |
0 |
0.000 |
2 |
|
C |
83 |
26 |
10059 |
◊ |
C |
-x,y,-z |
2_555 |
81 |
26 |
10059 |
722.4 |
2.4 |
0.978 |
14 |
6 |
0 |
0.000 |
3 |
|
D |
77 |
24 |
10041 |
◊ |
D |
-x+1,y,-z |
2_655 |
76 |
24 |
10041 |
665.5 |
2.8 |
0.975 |
14 |
8 |
0 |
0.000 |
Average: |
748.3 |
2.2 |
0.973 |
15 |
7 |
0 |
0.000 |
2 |
4 |
|
C |
74 |
24 |
10059 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
68 |
22 |
10041 |
687.7 |
-19.2 |
0.016 |
0 |
0 |
0 |
1.000 |
5 |
|
B |
69 |
21 |
10374 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
78 |
23 |
10117 |
678.0 |
-18.7 |
0.021 |
0 |
0 |
0 |
1.000 |
Average: |
682.8 |
-19.0 |
0.019 |
0 |
0 |
0 |
1.000 |
3 |
6 |
|
[71T]D:301 |
31 |
1 |
654 |
f |
D |
x,y,z |
1_555 |
76 |
24 |
10041 |
493.5 |
-1.6 |
0.563 |
2 |
0 |
0 |
0.528 |
7 |
|
[71T]A:301 |
31 |
1 |
651 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
10117 |
493.2 |
-1.5 |
0.555 |
2 |
0 |
0 |
0.528 |
8 |
|
[71T]B:301 |
31 |
1 |
649 |
f |
B |
x,y,z |
1_555 |
76 |
24 |
10374 |
486.9 |
-1.3 |
0.585 |
2 |
0 |
0 |
0.528 |
9 |
|
[71T]C:301 |
31 |
1 |
652 |
f |
C |
x,y,z |
1_555 |
79 |
24 |
10059 |
485.5 |
-1.1 |
0.617 |
2 |
0 |
0 |
0.528 |
Average: |
489.8 |
-1.4 |
0.580 |
2 |
0 |
0 |
0.528 |
4 |
10 |
|
D |
39 |
10 |
10041 |
◊ |
C |
x,y,z |
1_555 |
38 |
11 |
10059 |
368.5 |
-2.5 |
0.648 |
3 |
0 |
0 |
0.000 |
11 |
|
B |
36 |
10 |
10374 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
11 |
10117 |
334.9 |
-3.8 |
0.478 |
2 |
0 |
0 |
0.000 |
Average: |
351.7 |
-3.1 |
0.563 |
3 |
0 |
0 |
0.000 |
5 |
12 |
|
C |
29 |
11 |
10059 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
10117 |
261.8 |
-1.7 |
0.608 |
2 |
2 |
0 |
0.000 |
13 |
|
D |
24 |
10 |
10041 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
28 |
10 |
10374 |
239.9 |
-1.4 |
0.656 |
2 |
2 |
0 |
0.000 |
Average: |
250.8 |
-1.6 |
0.632 |
2 |
2 |
0 |
0.000 |
6 |
14 |
|
B |
27 |
9 |
10374 |
◊ |
A |
-x,y,-z+1 |
2_556 |
32 |
9 |
10117 |
249.7 |
-3.0 |
0.521 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
13 |
5 |
10059 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
14 |
5 |
10041 |
120.5 |
-1.6 |
0.504 |
0 |
0 |
0 |
0.000 |
Average: |
185.1 |
-2.3 |
0.512 |
0 |
0 |
0 |
0.000 |
7 |
16 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
10374 |
118.0 |
2.5 |
0.458 |
1 |
0 |
0 |
0.000 |
8 |
17 |
|
[EDO]B:304 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
10374 |
102.6 |
2.8 |
0.524 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
B |
11 |
4 |
10374 |
◊ |
B |
-x,y,-z+1 |
2_556 |
11 |
4 |
10374 |
102.2 |
0.9 |
0.860 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
[EDO]C:302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
10059 |
97.5 |
3.4 |
0.543 |
2 |
0 |
0 |
0.000 |
11 |
20 |
|
[EDO]B:305 |
4 |
1 |
182 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
18 |
5 |
10117 |
97.2 |
3.1 |
0.534 |
2 |
0 |
0 |
0.000 |
12 |
21 |
|
[EDO]B:303 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
10374 |
94.9 |
2.8 |
0.493 |
1 |
0 |
0 |
0.000 |
13 |
22 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
B |
-x,y,-z+1 |
2_556 |
15 |
7 |
10374 |
84.6 |
2.0 |
0.283 |
2 |
0 |
0 |
0.000 |
14 |
23 |
|
C |
7 |
2 |
10059 |
◊ |
B |
-x,y,-z+1 |
2_556 |
6 |
3 |
10374 |
82.0 |
-0.5 |
0.392 |
1 |
0 |
0 |
0.000 |
24 |
|
C |
7 |
4 |
10059 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
10374 |
63.8 |
-1.0 |
0.393 |
0 |
0 |
0 |
0.000 |
Average: |
72.9 |
-0.8 |
0.393 |
1 |
0 |
0 |
0.000 |
15 |
25 |
|
D |
12 |
4 |
10041 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10117 |
75.7 |
-1.3 |
0.488 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
7 |
3 |
10117 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
5 |
4 |
10041 |
49.1 |
-1.2 |
0.343 |
0 |
0 |
0 |
0.000 |
Average: |
62.4 |
-1.3 |
0.415 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[EDO]A:302 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
10117 |
51.6 |
0.9 |
0.808 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[EDO]B:304 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10117 |
45.2 |
1.1 |
0.851 |
1 |
0 |
0 |
0.000 |
18 |
29 |
|
[71T]C:301 |
5 |
1 |
652 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
10041 |
37.8 |
-1.2 |
0.181 |
0 |
0 |
0 |
0.135 |
30 |
|
[71T]B:301 |
4 |
1 |
649 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
10117 |
36.6 |
-1.2 |
0.192 |
0 |
0 |
0 |
0.135 |
31 |
|
[71T]A:301 |
4 |
1 |
651 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
3 |
2 |
10374 |
34.6 |
-1.3 |
0.156 |
0 |
0 |
0 |
0.135 |
32 |
|
C |
3 |
2 |
10059 |
◊ |
[71T]D:301 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
654 |
30.7 |
-1.2 |
0.156 |
0 |
0 |
0 |
0.135 |
Average: |
35.0 |
-1.2 |
0.171 |
0 |
0 |
0 |
0.135 |
19 |
33 |
|
[EDO]B:303 |
3 |
1 |
183 |
f |
A |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
10117 |
37.0 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.008 |
20 |
34 |
|
[EDO]B:305 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
10374 |
36.3 |
-0.3 |
0.390 |
0 |
0 |
0 |
0.064 |
21 |
35 |
|
[EDO]C:302 |
3 |
1 |
184 |
f |
D |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
10041 |
36.3 |
-0.1 |
0.355 |
0 |
0 |
0 |
0.003 |
22 |
36 |
|
D |
5 |
3 |
10041 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
10374 |
27.6 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
2 |
2 |
10059 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
3 |
3 |
10117 |
15.5 |
-0.4 |
0.437 |
0 |
0 |
0 |
0.000 |
Average: |
21.6 |
-0.2 |
0.515 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
A |
4 |
1 |
10117 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
1 |
10117 |
25.3 |
-0.6 |
0.437 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
2 |
1 |
10059 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
10041 |
4.5 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
Average: |
14.9 |
-0.4 |
0.441 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
[EDO]A:302 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10374 |
23.4 |
1.1 |
0.950 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
[71T]B:301 |
2 |
1 |
649 |
◊ |
[71T]A:301 |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
651 |
15.8 |
-0.5 |
0.329 |
0 |
0 |
0 |
0.028 |
42 |
|
[71T]C:301 |
2 |
1 |
652 |
◊ |
[71T]D:301 |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
654 |
12.5 |
-0.4 |
0.351 |
0 |
0 |
0 |
0.028 |
Average: |
14.1 |
-0.5 |
0.340 |
0 |
0 |
0 |
0.028 |
26 |
43 |
|
C |
1 |
1 |
10059 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
10041 |
14.3 |
0.9 |
0.927 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
1 |
1 |
10117 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
10374 |
8.3 |
0.6 |
0.943 |
0 |
0 |
0 |
0.000 |
Average: |
11.3 |
0.8 |
0.935 |
0 |
0 |
0 |
0.000 |
|