## |
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 |
168 |
46 |
11329 |
◊ |
A |
x,y,z |
1_555 |
157 |
38 |
9570 |
1565.8 |
-14.9 |
0.236 |
28 |
7 |
0 |
0.597 |
2 |
|
C |
164 |
46 |
8930 |
◊ |
B |
x,y,z |
1_555 |
156 |
37 |
11329 |
1551.7 |
-15.1 |
0.246 |
28 |
6 |
0 |
0.597 |
3 |
|
C |
151 |
35 |
8930 |
◊ |
A |
x,y,z |
1_555 |
162 |
45 |
9570 |
1514.8 |
-15.4 |
0.249 |
28 |
6 |
0 |
0.597 |
Average: |
1544.1 |
-15.1 |
0.244 |
28 |
6 |
0 |
0.597 |
2 |
4 |
|
B |
44 |
12 |
11329 |
◊ |
A |
x-1,y,z |
1_455 |
50 |
18 |
9570 |
446.7 |
-0.1 |
0.700 |
8 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
29 |
8 |
9570 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
37 |
15 |
11329 |
306.7 |
-1.7 |
0.524 |
5 |
3 |
0 |
0.000 |
4 |
6 |
|
B |
22 |
4 |
11329 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
33 |
10 |
8930 |
257.7 |
-2.0 |
0.333 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
26 |
9 |
8930 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
6 |
9570 |
237.6 |
0.0 |
0.657 |
5 |
2 |
0 |
0.000 |
6 |
8 |
|
[DUT]C:202 |
19 |
1 |
556 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
8930 |
229.2 |
0.8 |
0.715 |
5 |
0 |
0 |
0.010 |
7 |
9 |
|
[DUT]A:501 |
18 |
1 |
573 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
9570 |
228.8 |
0.6 |
0.687 |
5 |
0 |
0 |
0.021 |
10 |
|
[DUT]B:202 |
19 |
1 |
573 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
11329 |
228.2 |
0.8 |
0.681 |
5 |
0 |
0 |
0.021 |
Average: |
228.5 |
0.7 |
0.684 |
5 |
0 |
0 |
0.021 |
8 |
11 |
|
B |
18 |
4 |
11329 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
7 |
11329 |
173.7 |
-1.2 |
0.500 |
2 |
2 |
0 |
0.000 |
9 |
12 |
|
[DUT]C:202 |
18 |
1 |
556 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
9570 |
151.7 |
-4.1 |
0.387 |
7 |
0 |
0 |
0.154 |
13 |
|
[DUT]A:501 |
19 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11329 |
141.3 |
-4.2 |
0.386 |
8 |
0 |
0 |
0.154 |
14 |
|
[DUT]B:202 |
18 |
1 |
573 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
8930 |
139.9 |
-4.1 |
0.391 |
7 |
0 |
0 |
0.154 |
Average: |
144.3 |
-4.1 |
0.388 |
7 |
0 |
0 |
0.154 |
10 |
15 |
|
B |
16 |
4 |
11329 |
x |
B |
x-1,y,z |
1_455 |
11 |
3 |
11329 |
112.4 |
0.0 |
0.589 |
3 |
3 |
0 |
0.000 |
11 |
16 |
|
C |
15 |
4 |
8930 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
11329 |
104.6 |
-0.4 |
0.578 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
6 |
3 |
8930 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
8930 |
78.5 |
-1.5 |
0.210 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8930 |
39.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.078 |
19 |
|
[MG]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11329 |
38.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.078 |
20 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9570 |
38.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
38.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.078 |
14 |
21 |
|
A |
5 |
2 |
9570 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
1 |
8930 |
36.8 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
[DUT]B:202 |
x,y,z |
1_555 |
6 |
1 |
573 |
36.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.120 |
23 |
|
[MG]B:201 |
1 |
1 |
98 |
f |
[DUT]A:501 |
x,y,z |
1_555 |
4 |
1 |
573 |
36.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.120 |
24 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[DUT]C:202 |
x,y,z |
1_555 |
3 |
1 |
556 |
35.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
36.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.120 |
16 |
25 |
|
B |
4 |
2 |
11329 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
8930 |
32.8 |
0.7 |
0.732 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[MG]B:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9570 |
13.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.019 |
27 |
|
[MG]C:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11329 |
12.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
28 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8930 |
11.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
12.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.019 |
18 |
29 |
|
B |
2 |
1 |
11329 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
9570 |
12.8 |
-0.2 |
0.445 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
A |
1 |
1 |
9570 |
◊ |
[DUT]A:501 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
573 |
3.6 |
0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
|