## |
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 |
464 |
116 |
22871 |
◊ |
A |
x,y,z |
1_555 |
481 |
121 |
22571 |
4606.3 |
-49.4 |
0.004 |
76 |
22 |
0 |
0.619 |
2 |
|
D |
475 |
116 |
22439 |
◊ |
C |
x,y,z |
1_555 |
475 |
119 |
22684 |
4594.5 |
-48.4 |
0.005 |
74 |
20 |
0 |
0.619 |
Average: |
4600.4 |
-48.9 |
0.005 |
75 |
21 |
0 |
0.619 |
2 |
3 |
|
C |
99 |
24 |
22684 |
◊ |
A |
x,y,z |
1_555 |
99 |
24 |
22571 |
883.2 |
1.2 |
0.785 |
24 |
26 |
0 |
0.087 |
4 |
|
D |
102 |
25 |
22439 |
◊ |
B |
x,y,z |
1_555 |
102 |
25 |
22871 |
869.1 |
0.8 |
0.750 |
24 |
26 |
0 |
0.087 |
Average: |
876.2 |
1.0 |
0.767 |
24 |
26 |
0 |
0.087 |
3 |
5 |
|
D |
82 |
23 |
22439 |
◊ |
A |
x,y,z |
1_555 |
82 |
21 |
22571 |
618.2 |
0.5 |
0.727 |
8 |
0 |
0 |
0.019 |
6 |
|
C |
71 |
20 |
22684 |
◊ |
B |
x,y,z |
1_555 |
77 |
22 |
22871 |
575.9 |
0.6 |
0.737 |
8 |
0 |
0 |
0.019 |
Average: |
597.1 |
0.5 |
0.732 |
8 |
0 |
0 |
0.019 |
4 |
7 |
|
D |
53 |
14 |
22439 |
◊ |
D |
-x+1,y,-z-1 |
2_654 |
53 |
14 |
22439 |
548.4 |
3.8 |
0.900 |
10 |
12 |
0 |
0.000 |
5 |
8 |
|
C |
43 |
11 |
22684 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
43 |
12 |
22571 |
405.0 |
-1.5 |
0.510 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
39 |
13 |
22439 |
◊ |
C |
x,y,z-1 |
1_554 |
40 |
13 |
22684 |
348.5 |
-0.2 |
0.633 |
1 |
2 |
0 |
0.000 |
7 |
10 |
|
B |
31 |
9 |
22871 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
7 |
22571 |
216.4 |
-2.8 |
0.281 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[FES]B:602 |
4 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
22871 |
123.5 |
-14.6 |
0.438 |
0 |
0 |
0 |
0.219 |
12 |
|
[FES]C:602 |
4 |
1 |
236 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
22684 |
122.2 |
-14.7 |
0.375 |
1 |
0 |
0 |
0.219 |
13 |
|
[FES]D:602 |
4 |
1 |
235 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
22439 |
122.1 |
-14.7 |
0.455 |
1 |
0 |
0 |
0.219 |
14 |
|
[FES]A:602 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
22571 |
120.5 |
-14.5 |
0.495 |
1 |
0 |
0 |
0.219 |
Average: |
122.1 |
-14.6 |
0.441 |
1 |
0 |
0 |
0.219 |
9 |
15 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22871 |
50.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.130 |
16 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
22684 |
49.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.130 |
17 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
22571 |
48.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.130 |
18 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
22439 |
45.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
48.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.130 |
10 |
19 |
|
[FES]C:602 |
4 |
1 |
236 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
22439 |
42.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
20 |
|
[FES]D:602 |
4 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
22684 |
40.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
21 |
|
[FES]A:602 |
4 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
22871 |
38.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
40.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.031 |
11 |
22 |
|
[FES]B:602 |
4 |
1 |
234 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
22571 |
41.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
12 |
23 |
|
C |
3 |
1 |
22684 |
◊ |
A |
-x+1/2,y-1/2,-z-2 |
4_543 |
3 |
1 |
22571 |
22.1 |
0.4 |
0.789 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22684 |
9.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
25 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22871 |
4.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
26 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22439 |
3.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
27 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22571 |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
5.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
14 |
28 |
|
[FES]A:602 |
1 |
1 |
234 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
29 |
|
[FES]D:602 |
1 |
1 |
235 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
30 |
|
[FES]C:602 |
1 |
1 |
236 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
31 |
|
[FES]B:602 |
1 |
1 |
234 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
2.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
15 |
32 |
|
B |
1 |
1 |
22871 |
x |
B |
x,y,z-1 |
1_554 |
1 |
1 |
22871 |
1.9 |
0.0 |
0.735 |
0 |
0 |
0 |
0.000 |
|