## |
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 |
45 |
24877 |
◊ |
A |
x,y,z |
1_555 |
170 |
48 |
24706 |
1543.2 |
-15.0 |
0.073 |
11 |
2 |
0 |
0.199 |
2 |
2 |
|
B |
71 |
25 |
24877 |
◊ |
A |
x,y-1,z+1 |
1_546 |
72 |
24 |
24706 |
580.8 |
3.0 |
0.853 |
6 |
6 |
0 |
0.000 |
3 |
3 |
|
[GGA]A:6001 |
33 |
1 |
783 |
f |
A |
x,y,z |
1_555 |
81 |
33 |
24706 |
560.3 |
-1.4 |
0.670 |
13 |
0 |
0 |
0.142 |
4 |
|
[GGA]B:6002 |
33 |
1 |
784 |
f |
B |
x,y,z |
1_555 |
81 |
34 |
24877 |
554.2 |
-2.3 |
0.665 |
11 |
0 |
0 |
0.142 |
Average: |
557.3 |
-1.9 |
0.668 |
12 |
0 |
0 |
0.142 |
4 |
5 |
|
B |
45 |
17 |
24877 |
◊ |
A |
x-1,y,z+1 |
1_456 |
47 |
17 |
24706 |
421.3 |
-0.2 |
0.642 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
[ADP]B:3002 |
27 |
1 |
532 |
f |
B |
x,y,z |
1_555 |
61 |
26 |
24877 |
327.8 |
-5.5 |
0.516 |
8 |
0 |
0 |
0.181 |
7 |
|
[ADP]A:3001 |
27 |
1 |
528 |
f |
A |
x,y,z |
1_555 |
60 |
25 |
24706 |
324.0 |
-5.6 |
0.509 |
8 |
0 |
0 |
0.181 |
Average: |
325.9 |
-5.6 |
0.513 |
8 |
0 |
0 |
0.181 |
6 |
8 |
|
B |
9 |
3 |
24877 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
14 |
4 |
24706 |
96.4 |
2.3 |
0.917 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
12 |
4 |
24706 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
24706 |
72.8 |
-0.6 |
0.446 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
7 |
1 |
24877 |
x |
B |
x,y-1,z |
1_545 |
6 |
1 |
24877 |
50.9 |
-0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
5 |
2 |
24706 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
24877 |
41.1 |
-0.3 |
0.458 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[ADP]B:3002 |
6 |
1 |
532 |
f |
[GGA]B:6002 |
x,y,z |
1_555 |
4 |
1 |
784 |
40.0 |
-2.1 |
0.437 |
0 |
0 |
0 |
0.042 |
13 |
|
[ADP]A:3001 |
5 |
1 |
528 |
f |
[GGA]A:6001 |
x,y,z |
1_555 |
4 |
1 |
783 |
39.4 |
-2.1 |
0.419 |
0 |
0 |
0 |
0.042 |
Average: |
39.7 |
-2.1 |
0.428 |
0 |
0 |
0 |
0.042 |
11 |
14 |
|
[MG]A:5001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
24706 |
36.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.101 |
15 |
|
[MG]B:5003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
24877 |
32.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
34.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.101 |
12 |
16 |
|
[MG]A:5002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
24706 |
33.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.073 |
17 |
|
[MG]B:5004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
24877 |
32.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
32.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.073 |
13 |
18 |
|
[ADP]A:3001 |
5 |
1 |
528 |
f |
[MG]A:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.089 |
19 |
|
[ADP]B:3002 |
5 |
1 |
532 |
f |
[MG]B:5004 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
28.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.089 |
14 |
20 |
|
[GGA]B:6002 |
3 |
1 |
784 |
f |
[MG]B:5004 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
21 |
|
[GGA]A:6001 |
3 |
1 |
783 |
f |
[MG]A:5002 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
23.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.034 |
15 |
22 |
|
[GGA]B:6002 |
2 |
1 |
784 |
f |
[MG]B:5003 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
23 |
|
[GGA]A:6001 |
2 |
1 |
783 |
f |
[MG]A:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.052 |
Average: |
24.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
16 |
24 |
|
[ADP]B:3002 |
3 |
1 |
532 |
f |
[MG]B:5003 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.064 |
25 |
|
[ADP]A:3001 |
3 |
1 |
528 |
f |
[MG]A:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
22.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.064 |
17 |
26 |
|
[MG]B:5004 |
1 |
1 |
98 |
f |
[MG]B:5003 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
18 |
27 |
|
[MG]A:5002 |
1 |
1 |
98 |
f |
[MG]A:5001 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
19 |
28 |
|
B |
1 |
1 |
24877 |
x |
B |
x-1,y,z |
1_455 |
2 |
2 |
24877 |
4.6 |
-0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
|