## |
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 |
114 |
24 |
9226 |
◊ |
A |
x,y,z |
1_555 |
116 |
24 |
9263 |
1020.5 |
-19.8 |
0.007 |
2 |
2 |
0 |
0.521 |
2 |
2 |
|
C |
90 |
13 |
3058 |
◊ |
A |
x,y,z |
1_555 |
92 |
28 |
9263 |
792.8 |
-8.5 |
0.583 |
13 |
0 |
0 |
0.577 |
3 |
3 |
|
E |
92 |
13 |
3070 |
◊ |
B |
x,y,z |
1_555 |
90 |
27 |
9226 |
786.5 |
-10.6 |
0.539 |
12 |
0 |
0 |
0.545 |
4 |
4 |
|
F |
80 |
9 |
2302 |
◊ |
A |
x,y,z |
1_555 |
103 |
33 |
9263 |
779.6 |
-4.7 |
0.660 |
19 |
0 |
0 |
0.618 |
5 |
5 |
|
D |
80 |
9 |
2276 |
◊ |
B |
x,y,z |
1_555 |
103 |
34 |
9226 |
767.2 |
-5.3 |
0.650 |
22 |
0 |
0 |
0.228 |
6 |
6 |
|
F |
47 |
9 |
2302 |
◊ |
C |
x,y,z |
1_555 |
61 |
12 |
3058 |
465.7 |
-7.3 |
0.546 |
21 |
0 |
0 |
1.000 |
7 |
7 |
|
E |
63 |
12 |
3070 |
◊ |
D |
x,y,z |
1_555 |
47 |
9 |
2276 |
458.3 |
-7.3 |
0.576 |
22 |
0 |
0 |
0.821 |
8 |
8 |
|
A |
27 |
8 |
9263 |
x |
A |
x-y,x,z+1/6 |
6_555 |
17 |
5 |
9263 |
226.3 |
1.1 |
0.730 |
4 |
2 |
0 |
0.000 |
9 |
|
B |
17 |
5 |
9226 |
x |
B |
x-y,x,z+1/6 |
6_555 |
22 |
8 |
9226 |
208.6 |
0.2 |
0.642 |
3 |
1 |
0 |
0.000 |
Average: |
217.5 |
0.6 |
0.686 |
4 |
2 |
0 |
0.000 |
9 |
10 |
|
E |
30 |
2 |
3070 |
◊ |
A |
x,y,z |
1_555 |
37 |
9 |
9263 |
217.4 |
0.2 |
0.726 |
3 |
0 |
0 |
0.020 |
10 |
11 |
|
C |
29 |
2 |
3058 |
◊ |
B |
x,y,z |
1_555 |
36 |
9 |
9226 |
215.5 |
0.2 |
0.722 |
3 |
0 |
0 |
0.037 |
11 |
12 |
|
E |
21 |
5 |
3070 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
3058 |
172.6 |
-1.5 |
0.693 |
4 |
0 |
0 |
0.087 |
12 |
13 |
|
A |
15 |
4 |
9263 |
◊ |
D |
x-y+1,x,z+1/6 |
6_655 |
16 |
2 |
2276 |
105.9 |
0.4 |
0.624 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
F |
15 |
1 |
2302 |
◊ |
E |
x-y+1,x,z+1/6 |
6_655 |
13 |
1 |
3070 |
103.9 |
1.9 |
0.791 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
F |
11 |
1 |
2302 |
◊ |
B |
x-y+1,x,z+1/6 |
6_655 |
16 |
4 |
9226 |
100.4 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
C |
12 |
1 |
3058 |
◊ |
D |
x-y+1,x,z+1/6 |
6_655 |
14 |
1 |
2276 |
95.5 |
3.2 |
0.869 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
F |
17 |
1 |
2302 |
◊ |
E |
x,y,z |
1_555 |
13 |
1 |
3070 |
69.1 |
1.0 |
0.763 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
D |
17 |
1 |
2276 |
◊ |
C |
x,y,z |
1_555 |
13 |
1 |
3058 |
68.4 |
0.9 |
0.767 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[EOH]F:802 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
9263 |
67.7 |
1.8 |
0.152 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EOH]E:803 |
2 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
13 |
2 |
3070 |
66.5 |
3.1 |
0.496 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[EOH]D:801 |
3 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
15 |
9 |
9226 |
64.8 |
1.5 |
0.147 |
2 |
0 |
0 |
0.000 |
21 |
22 |
|
[EOH]E:803 |
3 |
1 |
171 |
f |
C |
x,y,z |
1_555 |
12 |
2 |
3058 |
57.7 |
2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
A |
8 |
2 |
9263 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
7 |
3 |
9226 |
57.4 |
1.3 |
0.821 |
2 |
2 |
0 |
0.000 |
23 |
24 |
|
[MG]B:705 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9226 |
45.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.269 |
25 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9263 |
44.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.269 |
Average: |
45.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.269 |
24 |
26 |
|
[EOH]F:802 |
3 |
1 |
172 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
2302 |
44.0 |
-0.2 |
0.000 |
1 |
0 |
0 |
0.020 |
25 |
27 |
|
[EOH]D:801 |
3 |
1 |
173 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
2276 |
42.7 |
-0.5 |
0.000 |
1 |
0 |
0 |
0.014 |
26 |
28 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3058 |
35.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.169 |
27 |
29 |
|
C |
7 |
2 |
3058 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
4 |
3 |
9226 |
35.7 |
-0.2 |
0.549 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[MG]B:705 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
3070 |
35.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.150 |
29 |
31 |
|
A |
3 |
3 |
9263 |
◊ |
E |
x-y,x,z+1/6 |
6_555 |
5 |
2 |
3070 |
32.7 |
-0.3 |
0.502 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[EOH]D:801 |
3 |
1 |
173 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
3070 |
31.3 |
1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
F |
5 |
1 |
2302 |
◊ |
D |
x-y+1,x,z+1/6 |
6_655 |
4 |
1 |
2276 |
31.0 |
0.2 |
0.579 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[EOH]F:802 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
3058 |
29.1 |
1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
C |
5 |
1 |
3058 |
◊ |
E |
x-y+1,x,z+1/6 |
6_655 |
5 |
1 |
3070 |
27.3 |
-1.3 |
0.421 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
9226 |
23.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.129 |
37 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9263 |
20.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
21.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.129 |
35 |
38 |
|
A |
6 |
3 |
9263 |
◊ |
B |
x-y+1,x,z+1/6 |
6_655 |
6 |
4 |
9226 |
21.8 |
0.4 |
0.701 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
E |
4 |
2 |
3070 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
9226 |
21.5 |
-0.3 |
0.585 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
9226 |
21.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.106 |
41 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
9263 |
20.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
20.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.106 |
38 |
42 |
|
A |
3 |
1 |
9263 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
4 |
2 |
3058 |
20.1 |
-0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3058 |
19.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.097 |
40 |
44 |
|
F |
4 |
1 |
2302 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9226 |
19.3 |
-0.6 |
0.445 |
0 |
0 |
0 |
0.021 |
41 |
45 |
|
[EOH]D:801 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
9263 |
18.6 |
0.5 |
0.813 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
3058 |
18.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.054 |
43 |
47 |
|
D |
4 |
1 |
2276 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9263 |
18.3 |
-0.6 |
0.475 |
0 |
0 |
0 |
0.009 |
44 |
48 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
2276 |
18.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.041 |
45 |
49 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
3070 |
16.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.042 |
46 |
50 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9226 |
16.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.048 |
51 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9263 |
13.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
14.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.048 |
47 |
52 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2302 |
16.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.079 |
48 |
53 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
3070 |
15.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.078 |
49 |
54 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
2276 |
15.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.101 |
50 |
55 |
|
[EOH]D:801 |
3 |
1 |
173 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.048 |
51 |
56 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
2302 |
12.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.047 |
52 |
57 |
|
[EOH]F:802 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
9226 |
12.4 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[EOH]F:802 |
3 |
1 |
172 |
f |
[MG]C:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.024 |
54 |
59 |
|
[MG]B:701 |
1 |
1 |
98 |
◊ |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
55 |
60 |
|
F |
1 |
1 |
2302 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2276 |
2.6 |
-0.3 |
0.172 |
0 |
0 |
0 |
0.007 |
56 |
61 |
|
[MG]C:703 |
1 |
1 |
98 |
◊ |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
57 |
62 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3058 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
|