## |
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 |
44 |
16 |
17024 |
x |
B |
x-1,y,z |
1_455 |
47 |
15 |
17024 |
430.1 |
-1.1 |
0.359 |
3 |
2 |
0 |
0.000 |
2 |
|
A |
43 |
15 |
16976 |
x |
A |
x-1,y,z |
1_455 |
47 |
15 |
16976 |
429.6 |
-1.2 |
0.341 |
3 |
2 |
0 |
0.000 |
Average: |
429.8 |
-1.1 |
0.350 |
3 |
2 |
0 |
0.000 |
2 |
3 |
|
B |
48 |
17 |
17024 |
◊ |
A |
x,y-1,z |
1_545 |
37 |
12 |
16976 |
419.7 |
0.2 |
0.519 |
6 |
3 |
0 |
0.000 |
4 |
|
A |
49 |
17 |
16976 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
33 |
12 |
17024 |
385.1 |
-0.6 |
0.395 |
3 |
0 |
0 |
0.000 |
Average: |
402.4 |
-0.2 |
0.457 |
5 |
2 |
0 |
0.000 |
3 |
5 |
|
A |
37 |
12 |
16976 |
x |
A |
x,y-1,z |
1_545 |
43 |
15 |
16976 |
337.1 |
2.5 |
0.727 |
8 |
2 |
0 |
0.000 |
6 |
|
B |
36 |
11 |
17024 |
x |
B |
x,y-1,z |
1_545 |
42 |
15 |
17024 |
333.1 |
2.5 |
0.728 |
8 |
3 |
0 |
0.000 |
Average: |
335.1 |
2.5 |
0.727 |
8 |
3 |
0 |
0.000 |
4 |
7 |
|
[SMD]A:700 |
24 |
1 |
514 |
f |
A |
x,y,z |
1_555 |
39 |
20 |
16976 |
330.8 |
-9.4 |
0.516 |
3 |
0 |
0 |
0.032 |
8 |
|
[SMD]B:700 |
24 |
1 |
513 |
f |
B |
x,y,z |
1_555 |
39 |
20 |
17024 |
329.7 |
-9.3 |
0.511 |
4 |
0 |
0 |
0.032 |
Average: |
330.2 |
-9.3 |
0.513 |
4 |
0 |
0 |
0.032 |
5 |
9 |
|
B |
40 |
15 |
17024 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
16976 |
329.4 |
2.3 |
0.726 |
9 |
1 |
0 |
0.000 |
10 |
|
A |
39 |
14 |
16976 |
◊ |
B |
x-1,y,z-1 |
1_454 |
33 |
12 |
17024 |
326.4 |
1.9 |
0.701 |
6 |
1 |
0 |
0.000 |
Average: |
327.9 |
2.1 |
0.714 |
8 |
1 |
0 |
0.000 |
6 |
11 |
|
[1PS]A:704 |
11 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
16976 |
183.9 |
4.2 |
0.132 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
A |
23 |
8 |
16976 |
f |
[1PS]A:709 |
x-1,y,z |
1_455 |
11 |
1 |
371 |
148.9 |
3.6 |
0.033 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[1PS]A:709 |
8 |
1 |
371 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
16976 |
117.2 |
4.3 |
0.230 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[BU1]A:705 |
6 |
1 |
233 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16976 |
109.3 |
2.5 |
0.483 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[BU1]B:703 |
6 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17024 |
101.4 |
1.0 |
0.420 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[ACT]A:707 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
16976 |
94.2 |
-0.1 |
0.662 |
1 |
0 |
0 |
0.001 |
12 |
17 |
|
[ACT]B:704 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17024 |
84.4 |
1.2 |
0.834 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[BU1]B:706 |
6 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
17024 |
84.2 |
2.4 |
0.512 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]A:703 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
16976 |
83.8 |
-11.7 |
0.766 |
2 |
0 |
0 |
0.029 |
15 |
20 |
|
[ACT]B:707 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
17024 |
82.0 |
-1.2 |
0.445 |
0 |
0 |
0 |
0.003 |
16 |
21 |
|
[ACT]B:705 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
17024 |
80.7 |
0.2 |
0.735 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]A:702 |
5 |
1 |
185 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
16976 |
67.5 |
-8.4 |
0.873 |
2 |
0 |
0 |
0.000 |
23 |
|
[SO4]B:702 |
5 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
17024 |
67.4 |
-8.6 |
0.871 |
2 |
0 |
0 |
0.000 |
Average: |
67.5 |
-8.5 |
0.872 |
2 |
0 |
0 |
0.000 |
18 |
24 |
|
[SO4]A:702 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
16976 |
62.2 |
-9.2 |
0.631 |
2 |
0 |
0 |
0.029 |
25 |
|
[SO4]B:702 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
17024 |
61.8 |
-9.1 |
0.628 |
2 |
0 |
0 |
0.029 |
Average: |
62.0 |
-9.2 |
0.629 |
2 |
0 |
0 |
0.029 |
19 |
26 |
|
A |
8 |
4 |
16976 |
◊ |
[BU1]B:703 |
x-1,y-1,z-1 |
1_444 |
5 |
1 |
237 |
62.1 |
2.0 |
0.475 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[ACT]A:708 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
16976 |
57.7 |
0.1 |
0.754 |
1 |
0 |
0 |
0.000 |
21 |
28 |
|
[ACT]B:704 |
3 |
1 |
183 |
f |
[SMD]B:700 |
x,y,z |
1_555 |
9 |
1 |
513 |
56.5 |
-0.4 |
0.810 |
0 |
0 |
0 |
0.001 |
22 |
29 |
|
A |
7 |
1 |
16976 |
f |
[ACT]A:708 |
x-1,y,z |
1_455 |
3 |
1 |
182 |
45.4 |
-0.7 |
0.490 |
0 |
0 |
0 |
0.002 |
23 |
30 |
|
[BU1]A:705 |
3 |
1 |
233 |
f |
[SMD]A:700 |
x,y,z |
1_555 |
9 |
1 |
514 |
44.5 |
-1.0 |
0.292 |
1 |
0 |
0 |
0.003 |
24 |
31 |
|
[CA]A:701 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
16976 |
44.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
|
[CA]B:701 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17024 |
43.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
43.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.021 |
25 |
33 |
|
[BU1]A:706 |
3 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16976 |
40.6 |
0.6 |
0.167 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[ACT]B:705 |
4 |
1 |
182 |
◊ |
[BU1]B:703 |
x,y,z |
1_555 |
5 |
1 |
237 |
40.4 |
0.8 |
0.457 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
A |
9 |
4 |
16976 |
f |
[ACT]B:705 |
x-1,y-1,z-1 |
1_444 |
3 |
1 |
182 |
36.4 |
-0.6 |
0.564 |
0 |
0 |
0 |
0.001 |
28 |
36 |
|
B |
2 |
1 |
17024 |
x |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
17024 |
30.4 |
0.9 |
0.839 |
1 |
1 |
0 |
0.000 |
37 |
|
A |
2 |
1 |
16976 |
x |
A |
x-1,y-1,z |
1_445 |
5 |
2 |
16976 |
28.5 |
0.8 |
0.822 |
1 |
1 |
0 |
0.000 |
Average: |
29.4 |
0.8 |
0.831 |
1 |
1 |
0 |
0.000 |
29 |
38 |
|
[CA]B:701 |
1 |
1 |
85 |
f |
[SMD]B:700 |
x,y,z |
1_555 |
4 |
1 |
513 |
28.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.016 |
39 |
|
[CA]A:701 |
1 |
1 |
85 |
f |
[SMD]A:700 |
x,y,z |
1_555 |
4 |
1 |
514 |
28.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
28.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.016 |
30 |
40 |
|
[ACT]A:707 |
4 |
1 |
182 |
f |
[BU1]A:705 |
x,y,z |
1_555 |
2 |
1 |
233 |
26.2 |
0.7 |
0.520 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
A |
2 |
1 |
16976 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
17024 |
21.7 |
0.5 |
0.773 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
2 |
1 |
16976 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17024 |
11.2 |
-0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
0.2 |
0.635 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
A |
2 |
2 |
16976 |
f |
[1PS]A:704 |
x-1,y,z |
1_455 |
7 |
1 |
361 |
11.9 |
0.2 |
0.007 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[BU1]A:706 |
1 |
1 |
239 |
f |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
16976 |
7.2 |
-0.3 |
0.365 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[ACT]A:708 |
2 |
1 |
182 |
f |
[1PS]A:709 |
x,y,z |
1_555 |
2 |
1 |
371 |
4.6 |
0.2 |
0.163 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
B |
1 |
1 |
17024 |
f |
[BU1]B:706 |
x-1,y-1,z |
1_445 |
1 |
1 |
235 |
1.2 |
0.1 |
0.344 |
0 |
0 |
0 |
0.000 |
|