## |
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 |
|
A |
497 |
122 |
19270 |
◊ |
A |
-x,-y,z |
2_555 |
495 |
122 |
19270 |
4714.9 |
-45.9 |
0.050 |
26 |
42 |
0 |
0.699 |
2 |
|
B |
490 |
121 |
19395 |
◊ |
B |
-x,-y,z |
2_555 |
490 |
121 |
19395 |
4669.0 |
-45.5 |
0.038 |
24 |
28 |
0 |
0.699 |
Average: |
4692.0 |
-45.7 |
0.044 |
25 |
35 |
0 |
0.699 |
2 |
3 |
|
B |
150 |
43 |
19395 |
◊ |
A |
-x,-y,z |
2_555 |
151 |
45 |
19270 |
1453.1 |
-6.0 |
0.556 |
12 |
17 |
0 |
0.117 |
3 |
4 |
|
B |
161 |
42 |
19395 |
◊ |
A |
x,y,z |
1_555 |
164 |
42 |
19270 |
1421.4 |
-6.8 |
0.522 |
10 |
10 |
0 |
0.108 |
4 |
5 |
|
B |
43 |
12 |
19395 |
x |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
53 |
19 |
19395 |
428.6 |
-0.4 |
0.643 |
1 |
1 |
0 |
0.000 |
6 |
|
A |
38 |
12 |
19270 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
41 |
17 |
19270 |
364.4 |
-0.5 |
0.636 |
2 |
0 |
0 |
0.000 |
Average: |
396.5 |
-0.5 |
0.640 |
2 |
1 |
0 |
0.000 |
5 |
7 |
|
[GLO]B:960 |
12 |
1 |
322 |
f |
B |
x,y,z |
1_555 |
36 |
18 |
19395 |
184.7 |
1.0 |
0.350 |
6 |
0 |
0 |
0.036 |
8 |
|
[GLO]A:950 |
12 |
1 |
322 |
f |
A |
x,y,z |
1_555 |
33 |
17 |
19270 |
182.1 |
0.5 |
0.314 |
1 |
0 |
0 |
0.036 |
Average: |
183.4 |
0.8 |
0.332 |
4 |
0 |
0 |
0.036 |
6 |
9 |
|
B |
12 |
3 |
19395 |
x |
B |
-x+1/2,y-1/2,-z-1 |
3_544 |
12 |
3 |
19395 |
92.8 |
0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
10 |
4 |
19270 |
x |
A |
-x+1/2,y-1/2,-z |
3_545 |
8 |
4 |
19270 |
73.4 |
0.2 |
0.566 |
0 |
1 |
0 |
0.000 |
Average: |
83.1 |
0.2 |
0.567 |
0 |
1 |
0 |
0.000 |
7 |
11 |
|
[OH]A:1700 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
19270 |
33.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.053 |
12 |
|
[OH]B:1800 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19395 |
32.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
33.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.053 |
8 |
13 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
19270 |
33.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.130 |
14 |
|
[MG]B:901 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
19395 |
31.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
32.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.130 |
9 |
15 |
|
[GLO]A:950 |
4 |
1 |
322 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19395 |
32.8 |
0.3 |
0.240 |
0 |
0 |
0 |
0.000 |
16 |
|
[GLO]B:960 |
3 |
1 |
322 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19270 |
29.2 |
0.3 |
0.278 |
0 |
0 |
0 |
0.000 |
Average: |
31.0 |
0.3 |
0.259 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[OH]B:1800 |
1 |
1 |
99 |
f |
[GLO]B:960 |
x,y,z |
1_555 |
4 |
1 |
322 |
25.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.024 |
18 |
|
[OH]A:1700 |
1 |
1 |
99 |
f |
[GLO]A:950 |
x,y,z |
1_555 |
5 |
1 |
322 |
24.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
25.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.024 |
11 |
19 |
|
B |
2 |
1 |
19395 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
19395 |
24.3 |
-0.8 |
0.117 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
B |
4 |
3 |
19395 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
19395 |
20.6 |
-0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
3 |
3 |
19270 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
19270 |
12.7 |
-0.1 |
0.477 |
0 |
0 |
0 |
0.000 |
Average: |
16.6 |
-0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[OH]A:1700 |
1 |
1 |
99 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.068 |
14 |
23 |
|
[OH]B:1800 |
1 |
1 |
99 |
f |
[MG]B:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.066 |
15 |
24 |
|
[MG]B:901 |
1 |
1 |
98 |
f |
[GLO]B:960 |
x,y,z |
1_555 |
4 |
1 |
322 |
19.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.035 |
25 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
[GLO]A:950 |
x,y,z |
1_555 |
3 |
1 |
322 |
16.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
18.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.035 |
16 |
26 |
|
[OH]A:1700 |
1 |
1 |
99 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
19395 |
5.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
27 |
|
[OH]B:1800 |
1 |
1 |
99 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19270 |
5.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
5.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
17 |
28 |
|
[MG]B:901 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19270 |
1.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
29 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19395 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|