## |
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 |
|
D |
84 |
14 |
3282 |
◊ |
C |
x,y,z |
1_555 |
84 |
13 |
3838 |
707.6 |
-3.0 |
0.970 |
35 |
0 |
0 |
0.394 |
2 |
|
B |
85 |
14 |
3287 |
◊ |
A |
x,y,z |
1_555 |
85 |
13 |
3849 |
706.9 |
-4.6 |
0.962 |
34 |
0 |
0 |
0.394 |
Average: |
707.2 |
-3.8 |
0.966 |
35 |
0 |
0 |
0.394 |
2 |
3 |
|
[CNY]C:41 |
27 |
1 |
767 |
f |
C |
x,y,z |
1_555 |
42 |
7 |
3838 |
316.3 |
-13.2 |
0.597 |
5 |
0 |
0 |
0.368 |
4 |
|
[CNY]A:42 |
27 |
1 |
770 |
f |
A |
x,y,z |
1_555 |
42 |
8 |
3849 |
312.9 |
-12.6 |
0.623 |
4 |
0 |
0 |
0.368 |
Average: |
314.6 |
-12.9 |
0.610 |
5 |
0 |
0 |
0.368 |
3 |
5 |
|
[CNY]C:44 |
24 |
1 |
757 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
3838 |
223.9 |
-10.6 |
0.350 |
2 |
0 |
0 |
0.274 |
6 |
|
[CNY]A:43 |
23 |
1 |
763 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
3849 |
213.7 |
-9.3 |
0.494 |
1 |
0 |
0 |
0.274 |
Average: |
218.8 |
-9.9 |
0.422 |
2 |
0 |
0 |
0.274 |
4 |
7 |
|
A |
22 |
4 |
3849 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
3 |
3287 |
166.8 |
-6.1 |
0.574 |
1 |
0 |
0 |
0.167 |
8 |
|
C |
21 |
4 |
3838 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
23 |
3 |
3282 |
166.0 |
-6.3 |
0.565 |
1 |
0 |
0 |
0.167 |
Average: |
166.4 |
-6.2 |
0.569 |
1 |
0 |
0 |
0.167 |
5 |
9 |
|
A |
20 |
3 |
3849 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
3 |
3849 |
139.7 |
-0.7 |
0.676 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
20 |
3 |
3838 |
x |
C |
x-1/2,-y+3/2,-z |
4_465 |
15 |
3 |
3838 |
137.0 |
0.7 |
0.795 |
2 |
0 |
0 |
0.000 |
Average: |
138.4 |
-0.0 |
0.735 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
A |
15 |
3 |
3849 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
3 |
3838 |
131.1 |
4.0 |
0.956 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[CNY]A:42 |
13 |
1 |
770 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
3287 |
130.7 |
-2.5 |
0.758 |
3 |
0 |
0 |
0.077 |
13 |
|
[CNY]C:41 |
14 |
1 |
767 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
3282 |
116.4 |
-2.2 |
0.760 |
1 |
0 |
0 |
0.077 |
Average: |
123.5 |
-2.4 |
0.759 |
2 |
0 |
0 |
0.077 |
8 |
14 |
|
C |
18 |
1 |
3838 |
◊ |
A |
x,y,z |
1_555 |
17 |
1 |
3849 |
119.9 |
-0.6 |
0.812 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
17 |
1 |
3838 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
17 |
1 |
3849 |
118.0 |
-0.2 |
0.824 |
0 |
0 |
0 |
0.000 |
Average: |
118.9 |
-0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[CNY]A:43 |
9 |
1 |
763 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
3 |
3287 |
108.2 |
-4.0 |
0.595 |
6 |
0 |
0 |
0.168 |
17 |
|
[CNY]C:44 |
8 |
1 |
757 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
13 |
3 |
3282 |
102.0 |
-4.0 |
0.539 |
5 |
0 |
0 |
0.168 |
Average: |
105.1 |
-4.0 |
0.567 |
6 |
0 |
0 |
0.168 |
10 |
18 |
|
D |
11 |
1 |
3282 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
11 |
1 |
3287 |
76.1 |
0.7 |
0.794 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
10 |
1 |
3282 |
◊ |
B |
x,y,z |
1_555 |
10 |
1 |
3287 |
74.0 |
1.2 |
0.780 |
0 |
0 |
0 |
0.000 |
Average: |
75.1 |
0.9 |
0.787 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
D |
6 |
2 |
3282 |
◊ |
[CNY]A:43 |
-x+3/2,-y+1,z-1/2 |
2_664 |
9 |
1 |
763 |
69.6 |
-0.6 |
0.759 |
1 |
0 |
0 |
0.000 |
21 |
|
[CNY]C:44 |
8 |
1 |
757 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
3287 |
66.6 |
-0.8 |
0.719 |
1 |
0 |
0 |
0.000 |
Average: |
68.1 |
-0.7 |
0.739 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
D |
4 |
1 |
3282 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
5 |
2 |
3849 |
54.7 |
-0.9 |
0.563 |
3 |
0 |
0 |
0.000 |
23 |
|
B |
4 |
1 |
3287 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
3838 |
51.2 |
-1.3 |
0.506 |
3 |
0 |
0 |
0.000 |
Average: |
53.0 |
-1.1 |
0.535 |
3 |
0 |
0 |
0.000 |
13 |
24 |
|
B |
8 |
1 |
3287 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
1 |
3838 |
44.9 |
1.4 |
0.831 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
3 |
1 |
3849 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
1 |
3282 |
36.5 |
1.3 |
0.849 |
0 |
0 |
0 |
0.000 |
Average: |
40.7 |
1.3 |
0.840 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
[CNY]C:44 |
7 |
1 |
757 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
3849 |
41.7 |
-1.6 |
0.630 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
8 |
1 |
3838 |
◊ |
[CNY]A:43 |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
1 |
763 |
39.2 |
-1.7 |
0.619 |
0 |
0 |
0 |
0.000 |
Average: |
40.4 |
-1.7 |
0.625 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
B |
6 |
1 |
3287 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
7 |
1 |
3282 |
41.1 |
-2.1 |
0.492 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[CNY]C:44 |
4 |
1 |
757 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
3282 |
34.3 |
0.4 |
0.755 |
0 |
0 |
0 |
0.000 |
30 |
|
[CNY]A:43 |
4 |
1 |
763 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
3287 |
32.1 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
Average: |
33.2 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
[MG]A:100 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
3849 |
18.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.056 |
32 |
|
[MG]D:200 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
3838 |
15.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
17.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.056 |
18 |
33 |
|
[MG]D:200 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
3282 |
7.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
|
[MG]A:100 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3287 |
6.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
7.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
19 |
35 |
|
B |
1 |
1 |
3287 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
3849 |
5.2 |
-0.6 |
0.220 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
1 |
1 |
3282 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
3838 |
3.9 |
-0.4 |
0.224 |
0 |
0 |
0 |
0.000 |
Average: |
4.5 |
-0.5 |
0.222 |
0 |
0 |
0 |
0.000 |
|