## |
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 |
|
H |
178 |
51 |
11304 |
◊ |
L |
x,y,z |
1_555 |
192 |
55 |
11415 |
1675.1 |
-25.8 |
0.029 |
10 |
2 |
0 |
0.930 |
2 |
|
B |
178 |
51 |
11314 |
◊ |
A |
x,y,z |
1_555 |
193 |
55 |
11455 |
1667.8 |
-25.4 |
0.026 |
11 |
1 |
0 |
0.930 |
Average: |
1671.4 |
-25.6 |
0.028 |
11 |
2 |
0 |
0.930 |
2 |
3 |
|
H |
50 |
18 |
11304 |
◊ |
B |
x,y,z |
1_555 |
46 |
17 |
11314 |
465.3 |
-4.2 |
0.483 |
4 |
2 |
0 |
0.008 |
3 |
4 |
|
L |
37 |
12 |
11415 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
11455 |
384.0 |
-5.3 |
0.154 |
4 |
0 |
0 |
0.009 |
4 |
5 |
|
B |
36 |
14 |
11314 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
37 |
13 |
11455 |
308.4 |
0.2 |
0.721 |
2 |
0 |
0 |
0.000 |
6 |
|
L |
32 |
13 |
11415 |
◊ |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
27 |
11 |
11304 |
260.3 |
-0.3 |
0.667 |
2 |
0 |
0 |
0.000 |
Average: |
284.4 |
-0.1 |
0.694 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
25 |
7 |
11455 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
12 |
11314 |
233.0 |
-1.8 |
0.449 |
4 |
0 |
0 |
0.000 |
8 |
|
H |
22 |
12 |
11304 |
◊ |
L |
-x-1,y-1/2,-z+1/2 |
3_445 |
25 |
7 |
11415 |
221.8 |
-1.6 |
0.480 |
3 |
0 |
0 |
0.000 |
Average: |
227.4 |
-1.7 |
0.465 |
4 |
0 |
0 |
0.000 |
6 |
9 |
|
L |
21 |
9 |
11415 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
8 |
11314 |
196.3 |
-1.9 |
0.420 |
0 |
0 |
0 |
0.000 |
10 |
|
H |
20 |
7 |
11304 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
6 |
11455 |
142.1 |
-1.2 |
0.493 |
1 |
0 |
0 |
0.000 |
Average: |
169.2 |
-1.5 |
0.456 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
L |
19 |
4 |
11415 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
9 |
11455 |
185.8 |
-2.6 |
0.234 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[BZH]H:401 |
18 |
1 |
458 |
◊ |
H |
x,y,z |
1_555 |
29 |
11 |
11304 |
181.1 |
0.1 |
0.480 |
2 |
0 |
0 |
0.000 |
13 |
|
[BZH]A:401 |
17 |
1 |
456 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
11314 |
177.9 |
0.5 |
0.492 |
2 |
0 |
0 |
0.000 |
Average: |
179.5 |
0.3 |
0.486 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[BZH]A:401 |
19 |
1 |
456 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
11455 |
179.1 |
-0.2 |
0.592 |
2 |
0 |
0 |
0.000 |
15 |
|
[BZH]H:401 |
18 |
1 |
458 |
◊ |
L |
x,y,z |
1_555 |
24 |
9 |
11415 |
174.8 |
0.2 |
0.643 |
2 |
0 |
0 |
0.000 |
Average: |
177.0 |
0.0 |
0.617 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
A |
23 |
11 |
11455 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
11314 |
166.2 |
2.0 |
0.847 |
2 |
0 |
0 |
0.000 |
11 |
17 |
|
H |
16 |
6 |
11304 |
◊ |
L |
x-1/2,-y-1/2,-z |
4_445 |
17 |
7 |
11415 |
153.7 |
1.9 |
0.871 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
A |
16 |
5 |
11455 |
◊ |
L |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
5 |
11415 |
147.4 |
0.7 |
0.697 |
1 |
1 |
0 |
0.000 |
13 |
19 |
|
L |
15 |
7 |
11415 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
6 |
11455 |
137.9 |
1.6 |
0.802 |
1 |
0 |
0 |
0.000 |
20 |
|
L |
11 |
4 |
11415 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
9 |
7 |
11455 |
81.7 |
-0.3 |
0.545 |
0 |
0 |
0 |
0.000 |
Average: |
109.8 |
0.7 |
0.673 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
H |
22 |
10 |
11304 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
6 |
11455 |
115.2 |
2.3 |
0.901 |
1 |
1 |
0 |
0.000 |
15 |
22 |
|
B |
14 |
4 |
11314 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
7 |
11314 |
109.7 |
-2.4 |
0.301 |
0 |
0 |
0 |
0.000 |
23 |
|
H |
13 |
6 |
11304 |
x |
H |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
3 |
11304 |
93.3 |
-2.3 |
0.267 |
0 |
0 |
0 |
0.000 |
Average: |
101.5 |
-2.4 |
0.284 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
H |
7 |
3 |
11304 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
11455 |
54.6 |
1.1 |
0.844 |
1 |
1 |
0 |
0.000 |
17 |
25 |
|
B |
8 |
5 |
11314 |
◊ |
L |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
4 |
11415 |
51.9 |
0.6 |
0.688 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
H |
6 |
2 |
11304 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
4 |
11314 |
48.2 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
H |
5 |
2 |
11304 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11455 |
35.2 |
-0.4 |
0.437 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
3 |
1 |
11314 |
◊ |
L |
x,y,z |
1_555 |
4 |
1 |
11415 |
32.6 |
-0.3 |
0.378 |
0 |
0 |
0 |
0.000 |
Average: |
33.9 |
-0.4 |
0.407 |
0 |
0 |
0 |
0.001 |
20 |
29 |
|
H |
3 |
2 |
11304 |
f |
[BZH]H:401 |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
458 |
35.1 |
-2.0 |
0.326 |
1 |
0 |
0 |
0.100 |
30 |
|
[BZH]A:401 |
3 |
1 |
456 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
11314 |
29.1 |
-1.8 |
0.351 |
1 |
0 |
0 |
0.100 |
Average: |
32.1 |
-1.9 |
0.339 |
1 |
0 |
0 |
0.100 |
21 |
31 |
|
L |
6 |
3 |
11415 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
11314 |
21.8 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
32 |
|
H |
1 |
1 |
11304 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
2 |
11455 |
6.5 |
0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
|