## |
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 |
82 |
25 |
8925 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
85 |
22 |
8548 |
730.2 |
-1.5 |
0.511 |
7 |
2 |
0 |
0.016 |
2 |
|
A |
79 |
22 |
8721 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
79 |
22 |
8431 |
685.9 |
-3.5 |
0.336 |
8 |
0 |
0 |
0.016 |
Average: |
708.1 |
-2.5 |
0.423 |
8 |
1 |
0 |
0.016 |
2 |
3 |
|
A |
37 |
9 |
8721 |
x |
A |
-x,y-1/2,-z |
2_545 |
45 |
14 |
8721 |
361.8 |
3.0 |
0.751 |
8 |
0 |
0 |
0.000 |
4 |
|
B |
35 |
8 |
8925 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
13 |
8925 |
332.4 |
0.8 |
0.602 |
7 |
0 |
0 |
0.000 |
Average: |
347.1 |
1.9 |
0.677 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
38 |
11 |
8721 |
◊ |
D |
x,y,z-1 |
1_554 |
40 |
11 |
8548 |
335.3 |
-2.2 |
0.332 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
28 |
10 |
8548 |
x |
D |
-x+1,y-1/2,-z+2 |
2_647 |
26 |
9 |
8548 |
220.1 |
1.2 |
0.708 |
2 |
2 |
0 |
0.000 |
7 |
|
C |
18 |
7 |
8431 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
19 |
7 |
8431 |
141.2 |
2.1 |
0.780 |
2 |
1 |
0 |
0.000 |
Average: |
180.7 |
1.7 |
0.744 |
2 |
2 |
0 |
0.000 |
5 |
8 |
|
C |
29 |
11 |
8431 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
9 |
8925 |
209.9 |
-0.9 |
0.434 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
31 |
12 |
8925 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
26 |
9 |
8431 |
198.8 |
2.0 |
0.732 |
3 |
2 |
0 |
0.000 |
10 |
|
A |
7 |
5 |
8721 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
8 |
6 |
8548 |
68.1 |
2.0 |
0.874 |
0 |
0 |
0 |
0.000 |
Average: |
133.5 |
2.0 |
0.803 |
2 |
1 |
0 |
0.000 |
7 |
11 |
|
A |
25 |
8 |
8721 |
◊ |
D |
x-1,y,z-1 |
1_454 |
18 |
7 |
8548 |
177.2 |
0.4 |
0.544 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
25 |
9 |
8925 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
6 |
8721 |
167.0 |
1.2 |
0.683 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
6 |
4 |
8721 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
8925 |
43.6 |
-0.1 |
0.431 |
0 |
0 |
0 |
0.000 |
Average: |
105.3 |
0.6 |
0.557 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
16 |
6 |
8431 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
8925 |
162.6 |
-1.2 |
0.401 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
9 |
4 |
8431 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
5 |
8548 |
99.1 |
2.0 |
0.849 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
7 |
4 |
8548 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
5 |
8431 |
66.0 |
1.9 |
0.861 |
1 |
0 |
0 |
0.000 |
Average: |
82.5 |
1.9 |
0.855 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
[IPA]A:601 |
4 |
1 |
200 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
8721 |
88.3 |
3.1 |
0.245 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
[NA]A:513 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
8721 |
74.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.067 |
19 |
|
[NA]C:511 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8431 |
66.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.067 |
20 |
|
[NA]B:512 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8925 |
60.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
67.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.067 |
13 |
21 |
|
[CL]B:506 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8925 |
62.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.123 |
22 |
|
[CL]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8431 |
61.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.123 |
23 |
|
[CL]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
8548 |
59.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
61.1 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.123 |
14 |
24 |
|
[IPA]A:601 |
3 |
1 |
200 |
f |
D |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
8548 |
52.2 |
1.6 |
0.247 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
B |
9 |
3 |
8925 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
8548 |
51.4 |
0.7 |
0.717 |
0 |
3 |
0 |
0.000 |
26 |
|
A |
8 |
3 |
8721 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
8431 |
47.7 |
0.9 |
0.778 |
0 |
3 |
0 |
0.000 |
Average: |
49.6 |
0.8 |
0.747 |
0 |
3 |
0 |
0.000 |
16 |
27 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
8721 |
43.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.033 |
17 |
28 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
8431 |
28.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.007 |
18 |
29 |
|
[CL]D:501 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
2 |
8548 |
19.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
A |
2 |
1 |
8721 |
◊ |
B |
x-1,y,z-1 |
1_454 |
1 |
1 |
8925 |
13.5 |
0.6 |
0.865 |
0 |
0 |
0 |
0.000 |
31 |
|
C |
2 |
2 |
8431 |
◊ |
D |
x-1,y,z-1 |
1_454 |
2 |
2 |
8548 |
5.1 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
9.3 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
|