## |
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 |
162 |
23 |
9495 |
◊ |
A |
x,y,z |
1_555 |
140 |
18 |
4283 |
1283.2 |
-12.6 |
0.993 |
54 |
0 |
0 |
0.311 |
2 |
|
D |
162 |
23 |
9444 |
◊ |
C |
x,y,z |
1_555 |
139 |
18 |
4287 |
1271.2 |
-11.2 |
0.995 |
58 |
0 |
0 |
0.311 |
Average: |
1277.2 |
-11.9 |
0.994 |
56 |
0 |
0 |
0.311 |
2 |
3 |
|
B |
57 |
11 |
9495 |
◊ |
B |
-x+2,-y,z |
2_755 |
56 |
11 |
9495 |
435.3 |
-15.3 |
0.747 |
0 |
0 |
0 |
0.112 |
4 |
|
D |
56 |
10 |
9444 |
◊ |
D |
-x+2,-y+1,z |
2_765 |
56 |
10 |
9444 |
417.3 |
-15.4 |
0.731 |
2 |
0 |
0 |
0.112 |
Average: |
426.3 |
-15.3 |
0.739 |
1 |
0 |
0 |
0.112 |
3 |
5 |
|
D |
41 |
9 |
9444 |
◊ |
B |
x,y,z |
1_555 |
42 |
9 |
9495 |
324.1 |
-9.4 |
0.769 |
1 |
0 |
0 |
0.068 |
4 |
6 |
|
D |
13 |
2 |
9444 |
x |
D |
-x+2,-y+1,z-1 |
2_764 |
14 |
4 |
9444 |
94.4 |
-4.5 |
0.536 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
12 |
2 |
9495 |
x |
B |
-x+2,-y,z-1 |
2_754 |
12 |
3 |
9495 |
92.9 |
-4.4 |
0.508 |
0 |
0 |
0 |
0.000 |
Average: |
93.7 |
-4.4 |
0.522 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
14 |
1 |
4283 |
◊ |
D |
x-1/2,-y+1/2,-z+3 |
4_458 |
14 |
1 |
9444 |
89.7 |
1.2 |
0.879 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
14 |
1 |
9495 |
◊ |
C |
x-1/2,-y+1/2,-z+3 |
4_458 |
14 |
1 |
4287 |
89.2 |
0.7 |
0.859 |
0 |
0 |
0 |
0.000 |
Average: |
89.4 |
0.9 |
0.869 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
C |
8 |
2 |
4287 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
4283 |
84.8 |
-2.7 |
0.542 |
0 |
0 |
0 |
0.010 |
7 |
11 |
|
A |
12 |
1 |
4283 |
◊ |
C |
x-1/2,-y+1/2,-z+3 |
4_458 |
13 |
1 |
4287 |
81.3 |
3.5 |
0.938 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
D |
10 |
1 |
9444 |
◊ |
A |
x-1/2,-y+1/2,-z+3 |
4_458 |
11 |
1 |
4283 |
81.2 |
2.0 |
0.898 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
D |
13 |
1 |
9444 |
◊ |
B |
x-1/2,-y+1/2,-z+3 |
4_458 |
13 |
1 |
9495 |
78.9 |
1.5 |
0.904 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[MG]B:103 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9495 |
58.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.131 |
15 |
|
[MG]D:102 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
9444 |
57.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
58.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.131 |
11 |
16 |
|
[MG]B:105 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9495 |
57.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.132 |
17 |
|
[MG]D:103 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
9444 |
56.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
56.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.132 |
12 |
18 |
|
[MG]B:108 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9495 |
50.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.094 |
19 |
|
[MG]D:104 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9444 |
48.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
49.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.094 |
13 |
20 |
|
[MG]A:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
4283 |
50.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.069 |
21 |
|
[MG]C:101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
4287 |
45.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.069 |
Average: |
47.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.069 |
14 |
22 |
|
C |
8 |
1 |
4287 |
◊ |
B |
x-1/2,-y+1/2,-z+3 |
4_458 |
7 |
1 |
9495 |
48.8 |
0.6 |
0.768 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[MG]D:107 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
9444 |
46.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.092 |
16 |
24 |
|
[MG]D:106 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
9444 |
46.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.079 |
25 |
|
[MG]B:107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9495 |
37.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
42.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.079 |
17 |
26 |
|
[MG]D:108 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
9444 |
41.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.096 |
27 |
|
[MG]B:102 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
9495 |
40.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
40.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.096 |
18 |
28 |
|
[MG]B:101 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9495 |
40.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.092 |
29 |
|
[MG]D:109 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
9444 |
39.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
39.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.092 |
19 |
30 |
|
[MG]B:109 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9495 |
36.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.085 |
31 |
|
[MG]D:105 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
9444 |
35.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
36.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.085 |
20 |
32 |
|
B |
6 |
2 |
9495 |
◊ |
[MG]B:102 |
-x+2,-y,z-1 |
2_754 |
1 |
1 |
98 |
36.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
D |
6 |
2 |
9444 |
◊ |
[MG]D:108 |
-x+2,-y+1,z-1 |
2_764 |
1 |
1 |
98 |
34.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
B |
7 |
2 |
9495 |
◊ |
[MG]B:101 |
-x+2,-y,z-1 |
2_754 |
1 |
1 |
98 |
34.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
6 |
2 |
9444 |
◊ |
[MG]D:109 |
-x+2,-y+1,z-1 |
2_764 |
1 |
1 |
98 |
34.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
34.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
36 |
|
[MG]C:102 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
4287 |
32.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.038 |
37 |
|
[MG]A:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
4283 |
29.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
31.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.038 |
23 |
38 |
|
[MG]B:104 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
9495 |
31.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
24 |
39 |
|
[MG]D:107 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9495 |
30.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
40 |
|
D |
7 |
3 |
9444 |
◊ |
C |
-x+2,-y+1,z-1 |
2_764 |
4 |
2 |
4287 |
29.4 |
-2.7 |
0.379 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
7 |
2 |
9495 |
◊ |
A |
-x+2,-y,z-1 |
2_754 |
6 |
3 |
4283 |
26.7 |
-1.7 |
0.543 |
0 |
0 |
0 |
0.000 |
Average: |
28.0 |
-2.2 |
0.461 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[MG]C:101 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
9444 |
28.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
43 |
|
[MG]A:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
9495 |
15.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
22.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.038 |
27 |
44 |
|
[MG]B:110 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9495 |
27.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.053 |
28 |
45 |
|
D |
5 |
1 |
9444 |
f |
[MG]D:110 |
-x+2,-y+1,z-1 |
2_764 |
1 |
1 |
98 |
26.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.052 |
46 |
|
B |
3 |
1 |
9495 |
f |
[MG]B:111 |
-x+2,-y,z-1 |
2_754 |
1 |
1 |
98 |
15.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
21.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.052 |
29 |
47 |
|
[MG]B:111 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
4283 |
25.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[MG]D:110 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
4287 |
18.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
21.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
49 |
|
[MG]D:101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
9444 |
24.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
50 |
|
[MG]B:106 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9495 |
24.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
24.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.050 |
31 |
51 |
|
C |
4 |
1 |
4287 |
◊ |
D |
x-1/2,-y+1/2,-z+3 |
4_458 |
1 |
1 |
9444 |
21.6 |
0.1 |
0.697 |
1 |
0 |
0 |
0.000 |
32 |
52 |
|
[MG]D:111 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
9444 |
21.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.043 |
33 |
53 |
|
[MG]B:111 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9495 |
19.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[MG]D:110 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
9444 |
17.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
18.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
55 |
|
[MG]B:110 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
9444 |
16.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.017 |
35 |
56 |
|
[MG]D:111 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
9495 |
15.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
36 |
57 |
|
[MG]B:104 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4283 |
13.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.017 |
37 |
58 |
|
[MG]A:102 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9495 |
13.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
59 |
|
[MG]C:102 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
9444 |
7.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
10.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
38 |
60 |
|
[MG]D:102 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
4287 |
12.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.015 |
61 |
|
[MG]B:103 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
4283 |
11.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
11.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
39 |
62 |
|
B |
1 |
1 |
9495 |
◊ |
D |
-x+5/2,y-1/2,-z+2 |
3_747 |
1 |
1 |
9444 |
11.8 |
-1.3 |
0.202 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
[MG]D:109 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
4287 |
11.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
64 |
|
[MG]B:101 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
4283 |
9.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
10.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
41 |
65 |
|
[MG]D:111 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4287 |
10.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
66 |
|
[MG]B:104 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
9444 |
7.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
43 |
67 |
|
[MG]D:107 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
4287 |
7.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
44 |
68 |
|
B |
1 |
1 |
9495 |
◊ |
D |
-x+3/2,y-1/2,-z+2 |
3_647 |
2 |
1 |
9444 |
5.4 |
-0.6 |
0.300 |
0 |
0 |
0 |
0.000 |
45 |
69 |
|
[MG]C:102 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y+1/2,-z+3 |
4_458 |
2 |
1 |
9495 |
3.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
70 |
|
[MG]D:106 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4287 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
47 |
71 |
|
D |
2 |
1 |
9444 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
4283 |
1.7 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.000 |
48 |
72 |
|
D |
1 |
1 |
9444 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4283 |
1.5 |
-0.0 |
0.411 |
0 |
0 |
0 |
0.000 |
49 |
73 |
|
B |
1 |
1 |
9495 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
4283 |
1.3 |
-0.0 |
0.423 |
0 |
0 |
0 |
0.000 |
74 |
|
D |
1 |
1 |
9444 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
4287 |
0.3 |
-0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
Average: |
0.8 |
-0.0 |
0.425 |
0 |
0 |
0 |
0.000 |
50 |
75 |
|
D |
1 |
1 |
9444 |
x |
D |
x,y,z-1 |
1_554 |
1 |
1 |
9444 |
1.2 |
0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
|