## |
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 |
|
E |
49 |
10 |
4231 |
◊ |
A |
x,y,z |
1_555 |
49 |
10 |
4212 |
375.2 |
-4.1 |
0.923 |
12 |
0 |
0 |
0.186 |
2 |
|
C |
49 |
10 |
4226 |
◊ |
B |
x,y,z |
1_555 |
48 |
10 |
4215 |
374.8 |
-4.1 |
0.926 |
12 |
0 |
0 |
0.186 |
3 |
|
F |
50 |
10 |
4223 |
◊ |
D |
x,y,z |
1_555 |
50 |
10 |
4212 |
374.8 |
-3.9 |
0.932 |
12 |
0 |
0 |
0.186 |
4 |
|
H |
49 |
10 |
4225 |
◊ |
G |
x,y,z |
1_555 |
50 |
10 |
4214 |
374.3 |
-4.1 |
0.929 |
12 |
0 |
0 |
0.186 |
Average: |
374.8 |
-4.0 |
0.928 |
12 |
0 |
0 |
0.186 |
2 |
5 |
|
E |
36 |
3 |
4231 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
35 |
3 |
4226 |
244.3 |
1.8 |
0.967 |
1 |
0 |
0 |
0.000 |
6 |
|
H |
35 |
3 |
4225 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
3 |
4223 |
243.7 |
2.2 |
0.966 |
1 |
0 |
0 |
0.000 |
7 |
|
G |
35 |
3 |
4214 |
◊ |
D |
x,y,z |
1_555 |
35 |
3 |
4212 |
238.3 |
3.7 |
0.981 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
35 |
3 |
4215 |
◊ |
A |
x,y,z |
1_555 |
36 |
3 |
4212 |
237.9 |
3.4 |
0.979 |
1 |
0 |
0 |
0.000 |
Average: |
241.0 |
2.8 |
0.973 |
1 |
0 |
0 |
0.000 |
3 |
9 |
|
B |
22 |
4 |
4215 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
4 |
4223 |
138.1 |
-4.2 |
0.663 |
0 |
0 |
0 |
0.000 |
4 |
10 |
|
A |
19 |
3 |
4212 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
3 |
4223 |
133.7 |
-3.1 |
0.686 |
1 |
0 |
0 |
0.000 |
5 |
11 |
|
D |
17 |
3 |
4212 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
4212 |
121.2 |
-3.0 |
0.658 |
0 |
0 |
0 |
0.000 |
6 |
12 |
|
B |
13 |
1 |
4215 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
13 |
1 |
4226 |
101.2 |
2.8 |
0.940 |
4 |
0 |
0 |
0.000 |
13 |
|
H |
13 |
1 |
4225 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
1 |
4214 |
99.2 |
2.8 |
0.942 |
2 |
0 |
0 |
0.000 |
14 |
|
E |
13 |
1 |
4231 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
1 |
4212 |
98.8 |
2.7 |
0.937 |
4 |
0 |
0 |
0.000 |
15 |
|
D |
13 |
1 |
4212 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
1 |
4223 |
95.9 |
2.7 |
0.937 |
2 |
0 |
0 |
0.000 |
Average: |
98.8 |
2.8 |
0.939 |
3 |
0 |
0 |
0.000 |
7 |
16 |
|
[MG]A:1026 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
4212 |
56.2 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.098 |
17 |
|
[MG]B:1025 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
4215 |
49.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
53.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.098 |
8 |
18 |
|
[MG]B:1026 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
4215 |
56.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.195 |
19 |
|
[MG]E:1028 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
4231 |
53.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.195 |
20 |
|
[MG]C:1027 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
4226 |
53.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.195 |
21 |
|
[MG]A:1025 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
4212 |
53.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.195 |
22 |
|
[MG]F:1025 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
4223 |
53.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.195 |
23 |
|
[MG]G:1025 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
4214 |
51.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
53.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.195 |
9 |
24 |
|
[NA]F:1028 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
4223 |
51.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.151 |
25 |
|
[NA]A:1030 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
4212 |
49.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.151 |
26 |
|
[NA]A:1029 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
4231 |
46.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
48.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.151 |
10 |
27 |
|
[MG]F:1026 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
4223 |
48.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.143 |
28 |
|
[MG]B:1027 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
4215 |
47.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.143 |
29 |
|
[MG]E:1027 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
4231 |
46.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
47.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.143 |
11 |
30 |
|
[MG]A:1027 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
4212 |
40.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.119 |
31 |
|
[MG]C:1025 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
4226 |
40.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.119 |
32 |
|
[MG]E:1026 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
4231 |
39.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.119 |
33 |
|
[MG]B:1028 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
4215 |
37.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
39.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.119 |
12 |
34 |
|
[MG]C:1026 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
4226 |
38.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.214 |
35 |
|
[MG]E:1025 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
2 |
4231 |
37.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.214 |
36 |
|
[MG]D:1025 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
4212 |
36.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.214 |
37 |
|
[MG]B:1029 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
4215 |
35.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.214 |
38 |
|
[MG]F:1027 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
4223 |
35.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.214 |
39 |
|
[MG]A:1028 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
4212 |
35.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.214 |
Average: |
36.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.214 |
13 |
40 |
|
[NA]A:1030 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
4231 |
34.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.075 |
41 |
|
[NA]A:1029 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4212 |
34.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.075 |
42 |
|
[NA]F:1028 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
4212 |
32.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
33.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.075 |
14 |
43 |
|
D |
4 |
1 |
4212 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
4215 |
27.2 |
-2.0 |
0.420 |
0 |
0 |
0 |
0.000 |
15 |
44 |
|
[MG]B:1027 |
1 |
1 |
98 |
f |
[MG]B:1026 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.010 |
16 |
45 |
|
[MG]F:1026 |
1 |
1 |
98 |
f |
[MG]F:1025 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.071 |
17 |
46 |
|
[MG]A:1026 |
1 |
1 |
98 |
f |
[MG]A:1025 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.038 |
18 |
47 |
|
[MG]E:1028 |
1 |
1 |
98 |
f |
[MG]E:1027 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.032 |
19 |
48 |
|
[MG]B:1025 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4212 |
10.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
49 |
|
B |
1 |
1 |
4215 |
◊ |
[NA]F:1028 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
6.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
50 |
|
A |
1 |
1 |
4212 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
4226 |
2.7 |
-0.3 |
0.286 |
0 |
0 |
0 |
0.000 |
51 |
|
H |
1 |
1 |
4225 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
4212 |
1.8 |
-0.2 |
0.313 |
0 |
0 |
0 |
0.000 |
52 |
|
E |
1 |
1 |
4231 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
4215 |
1.1 |
-0.1 |
0.325 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
-0.2 |
0.308 |
0 |
0 |
0 |
0.000 |
|