## |
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 |
58 |
15 |
7807 |
◊ |
A |
x-1/2,-y-1/2,-z+2 |
4_447 |
57 |
16 |
7750 |
576.4 |
-3.2 |
0.485 |
12 |
8 |
0 |
0.000 |
2 |
2 |
|
B |
45 |
15 |
7807 |
◊ |
A |
x,y,z |
1_555 |
47 |
19 |
7750 |
361.0 |
0.7 |
0.723 |
1 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
43 |
16 |
7807 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
13 |
7750 |
358.7 |
3.4 |
0.865 |
4 |
5 |
0 |
0.000 |
4 |
4 |
|
B |
45 |
12 |
7807 |
◊ |
A |
-x,y-1/2,-z+5/2 |
3_547 |
29 |
6 |
7750 |
329.8 |
-7.5 |
0.084 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
36 |
11 |
7750 |
◊ |
B |
-x,y-1/2,-z+5/2 |
3_547 |
27 |
6 |
7807 |
267.3 |
-4.9 |
0.209 |
3 |
0 |
0 |
0.000 |
Average: |
298.6 |
-6.2 |
0.147 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
[XM4]A:1501 |
12 |
1 |
354 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
7750 |
217.4 |
4.8 |
0.490 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
18 |
6 |
7807 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
15 |
7 |
7750 |
137.1 |
-0.3 |
0.592 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
14 |
3 |
7750 |
x |
A |
x-1/2,-y-1/2,-z+2 |
4_447 |
15 |
5 |
7750 |
132.5 |
1.6 |
0.756 |
3 |
4 |
0 |
0.000 |
8 |
9 |
|
B |
11 |
5 |
7807 |
f |
[XM4]A:1501 |
x-1/2,-y-1/2,-z+2 |
4_447 |
4 |
1 |
354 |
72.2 |
-5.9 |
0.284 |
0 |
0 |
0 |
0.100 |
9 |
10 |
|
B |
9 |
3 |
7807 |
x |
B |
x-1/2,-y-1/2,-z+2 |
4_447 |
4 |
2 |
7807 |
64.4 |
-1.8 |
0.126 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:1503 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
7807 |
61.2 |
1.7 |
0.272 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:1508 |
3 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
8 |
5 |
7750 |
60.9 |
1.4 |
0.487 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:1506 |
4 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
14 |
5 |
7750 |
60.7 |
1.8 |
0.486 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:1504 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
7807 |
56.6 |
1.3 |
0.243 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:1505 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
7807 |
56.6 |
1.5 |
0.503 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]B:1507 |
3 |
1 |
182 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
8 |
5 |
7750 |
55.9 |
1.4 |
0.258 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:1504 |
4 |
1 |
182 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
8 |
3 |
7750 |
45.1 |
0.9 |
0.792 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:1508 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
7807 |
39.2 |
0.6 |
0.723 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:1505 |
2 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
11 |
4 |
7750 |
35.6 |
0.8 |
0.843 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:1508 |
4 |
1 |
184 |
f |
[EDO]B:1507 |
x,y,z |
1_555 |
4 |
1 |
182 |
34.4 |
1.1 |
1.000 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:1505 |
4 |
1 |
183 |
f |
[EDO]B:1504 |
x,y,z |
1_555 |
3 |
1 |
182 |
32.8 |
1.1 |
1.000 |
2 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:1507 |
4 |
1 |
182 |
f |
[EDO]B:1506 |
x,y,z |
1_555 |
4 |
1 |
183 |
32.1 |
1.0 |
1.000 |
3 |
0 |
0 |
0.002 |
22 |
23 |
|
[EDO]B:1505 |
4 |
1 |
183 |
f |
[EDO]B:1503 |
x,y,z |
1_555 |
3 |
1 |
182 |
29.6 |
0.9 |
1.000 |
3 |
0 |
0 |
0.003 |
23 |
24 |
|
[EDO]B:1507 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
7807 |
29.2 |
0.5 |
0.788 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
B |
3 |
1 |
7807 |
x |
B |
-x,y-1/2,-z+5/2 |
3_547 |
3 |
1 |
7807 |
25.3 |
0.4 |
0.749 |
1 |
1 |
0 |
0.000 |
25 |
26 |
|
[EDO]B:1506 |
3 |
1 |
183 |
f |
[EDO]B:1503 |
x,y,z |
1_555 |
3 |
1 |
182 |
22.6 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]B:1508 |
2 |
1 |
184 |
f |
[EDO]B:1506 |
x,y,z |
1_555 |
2 |
1 |
183 |
22.2 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]B:1504 |
2 |
1 |
182 |
f |
[EDO]B:1503 |
x,y,z |
1_555 |
2 |
1 |
182 |
21.5 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]B:1507 |
3 |
1 |
182 |
f |
[CA]B:1501 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.104 |
30 |
|
[EDO]B:1508 |
4 |
1 |
184 |
f |
[CA]B:1501 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.104 |
31 |
|
[EDO]B:1504 |
4 |
1 |
182 |
f |
[CA]B:1502 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.104 |
32 |
|
[EDO]B:1505 |
3 |
1 |
183 |
f |
[CA]B:1502 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.104 |
33 |
|
[EDO]B:1506 |
3 |
1 |
183 |
f |
[CA]B:1501 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.104 |
34 |
|
[EDO]B:1503 |
3 |
1 |
182 |
f |
[CA]B:1502 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
20.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.104 |
29 |
35 |
|
[EDO]B:1503 |
3 |
1 |
182 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
5 |
2 |
7750 |
19.7 |
0.5 |
0.864 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[EDO]B:1506 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7807 |
18.3 |
0.4 |
0.854 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[CA]B:1502 |
1 |
1 |
85 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
7 |
3 |
7750 |
16.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[CA]B:1501 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7807 |
15.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
B |
1 |
1 |
7807 |
x |
B |
-x-1,y-1/2,-z+5/2 |
3_447 |
1 |
1 |
7807 |
13.2 |
0.6 |
0.892 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[CA]B:1502 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7807 |
7.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[CA]B:1501 |
1 |
1 |
85 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
4 |
2 |
7750 |
7.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
A |
1 |
1 |
7750 |
x |
A |
x,y-1,z |
1_545 |
2 |
1 |
7750 |
2.6 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
1 |
1 |
7807 |
x |
B |
x,y-1,z |
1_545 |
1 |
1 |
7807 |
0.3 |
-0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
Average: |
1.4 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[EDO]B:1503 |
1 |
1 |
182 |
f |
[CA]B:1501 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
36 |
45 |
|
[EDO]B:1507 |
1 |
1 |
182 |
f |
[EDO]B:1503 |
x,y,z |
1_555 |
1 |
1 |
182 |
2.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[EDO]B:1506 |
1 |
1 |
183 |
f |
[CA]B:1502 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
[EDO]B:1506 |
1 |
1 |
183 |
f |
[EDO]B:1505 |
x,y,z |
1_555 |
1 |
1 |
183 |
1.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|