## |
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 |
449 |
114 |
18977 |
◊ |
A |
x,y,z |
1_555 |
459 |
119 |
18141 |
4239.7 |
-38.0 |
0.148 |
53 |
17 |
0 |
0.936 |
2 |
2 |
|
A |
38 |
13 |
18141 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
48 |
17 |
18141 |
395.6 |
3.1 |
0.892 |
4 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
44 |
12 |
18977 |
x |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
42 |
12 |
18977 |
375.7 |
-0.7 |
0.640 |
1 |
1 |
0 |
0.000 |
4 |
4 |
|
A |
41 |
12 |
18141 |
◊ |
B |
x,y,z-1 |
1_554 |
40 |
13 |
18977 |
366.9 |
0.0 |
0.712 |
7 |
4 |
0 |
0.000 |
5 |
5 |
|
[3DY]A:521 |
11 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
32 |
11 |
18141 |
176.5 |
4.6 |
0.646 |
7 |
0 |
0 |
0.000 |
6 |
6 |
|
[PEG]A:503 |
7 |
1 |
248 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
18141 |
125.4 |
3.8 |
0.412 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[EDO]B:505 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
18977 |
115.9 |
3.3 |
0.502 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
[EDO]A:509 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
18141 |
114.6 |
3.6 |
0.498 |
5 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
18977 |
109.6 |
3.5 |
0.440 |
3 |
0 |
0 |
0.000 |
10 |
10 |
|
[EDO]A:507 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
18141 |
107.4 |
3.4 |
0.428 |
2 |
0 |
0 |
0.000 |
11 |
11 |
|
[EDO]B:507 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
18977 |
106.2 |
1.8 |
0.230 |
4 |
0 |
0 |
0.000 |
12 |
12 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
18141 |
100.3 |
3.1 |
0.497 |
4 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]B:504 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
18141 |
98.2 |
3.3 |
0.533 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]A:517 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
18141 |
97.6 |
3.0 |
0.453 |
1 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]A:513 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
18141 |
96.5 |
2.7 |
0.436 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
18141 |
96.4 |
3.2 |
0.520 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[EDO]B:506 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
18977 |
95.5 |
2.0 |
0.341 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[EDO]A:506 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
18141 |
92.2 |
2.8 |
0.471 |
1 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]A:514 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18141 |
88.6 |
3.3 |
0.554 |
2 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]A:520 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
18141 |
87.4 |
2.2 |
0.475 |
6 |
0 |
0 |
0.007 |
21 |
21 |
|
[EDO]A:505 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
18141 |
85.8 |
3.6 |
0.538 |
3 |
0 |
0 |
0.000 |
22 |
22 |
|
[EDO]A:519 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
18977 |
79.5 |
2.1 |
0.275 |
1 |
0 |
0 |
0.000 |
23 |
23 |
|
[EDO]A:519 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
18141 |
77.5 |
1.9 |
0.268 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[EDO]A:518 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
18141 |
77.1 |
1.8 |
0.221 |
1 |
0 |
0 |
0.000 |
25 |
25 |
|
[EDO]A:512 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
18141 |
75.9 |
1.7 |
0.269 |
1 |
0 |
0 |
0.000 |
26 |
26 |
|
[EDO]A:515 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
18141 |
73.5 |
2.5 |
0.925 |
2 |
0 |
0 |
0.000 |
27 |
27 |
|
A |
7 |
4 |
18141 |
x |
A |
x,y,z-1 |
1_554 |
10 |
3 |
18141 |
70.4 |
-1.8 |
0.214 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
18977 |
70.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.372 |
29 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
18141 |
70.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.372 |
Average: |
70.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.372 |
29 |
30 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18141 |
66.6 |
1.7 |
0.738 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]A:508 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
18141 |
64.7 |
1.9 |
0.865 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]A:512 |
4 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
11 |
4 |
18141 |
56.1 |
1.3 |
0.254 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]A:510 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
18141 |
54.8 |
0.8 |
0.691 |
2 |
0 |
0 |
0.000 |
33 |
34 |
|
[PEG]A:503 |
4 |
1 |
248 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
18977 |
54.5 |
1.2 |
0.318 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]A:520 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
18977 |
51.0 |
1.3 |
0.202 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[EDO]A:505 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
18977 |
46.6 |
0.3 |
0.535 |
1 |
0 |
0 |
0.002 |
36 |
37 |
|
B |
5 |
3 |
18977 |
x |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
3 |
18977 |
43.3 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
18977 |
43.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.316 |
39 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
18141 |
33.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.316 |
Average: |
38.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.316 |
38 |
40 |
|
A |
7 |
3 |
18141 |
f |
[EDO]A:517 |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
1 |
184 |
42.3 |
0.9 |
0.763 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
18977 |
41.6 |
1.5 |
0.978 |
2 |
0 |
0 |
0.000 |
40 |
42 |
|
[EDO]A:506 |
2 |
1 |
185 |
f |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
8 |
2 |
18141 |
37.8 |
0.8 |
0.567 |
1 |
0 |
0 |
0.000 |
41 |
43 |
|
[EDO]B:507 |
2 |
1 |
184 |
f |
[EDO]B:505 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.7 |
2.0 |
0.707 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[EDO]A:512 |
2 |
1 |
183 |
◊ |
[EDO]A:506 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.8 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]A:518 |
2 |
1 |
185 |
f |
B |
x,y,z-1 |
1_554 |
4 |
1 |
18977 |
28.7 |
0.8 |
0.888 |
1 |
0 |
0 |
0.000 |
44 |
46 |
|
[EDO]A:518 |
3 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
18141 |
25.3 |
1.5 |
0.982 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[EDO]A:509 |
3 |
1 |
185 |
f |
[CA]A:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
22.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
46 |
48 |
|
A |
2 |
2 |
18141 |
f |
[EDO]A:515 |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
1 |
185 |
15.6 |
0.5 |
0.917 |
0 |
0 |
0 |
0.000 |
47 |
49 |
|
[EDO]A:520 |
2 |
1 |
184 |
f |
[PEG]A:503 |
x,y,z |
1_555 |
5 |
1 |
248 |
10.4 |
0.5 |
0.246 |
0 |
0 |
0 |
0.000 |
|