| ## |
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 |
183 |
56 |
12923 |
◊ |
A |
x,y,z |
1_555 |
180 |
55 |
12930 |
1772.8 |
-18.9 |
0.155 |
16 |
4 |
0 |
0.333 |
2 |
|
D |
187 |
54 |
12806 |
◊ |
C |
x,y,z |
1_555 |
186 |
54 |
12800 |
1744.4 |
-23.7 |
0.044 |
18 |
1 |
0 |
0.333 |
| Average: |
1758.6 |
-21.3 |
0.099 |
17 |
3 |
0 |
0.333 |
| 2 |
3 |
|
A |
48 |
19 |
12930 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
47 |
22 |
12806 |
443.5 |
4.2 |
0.933 |
6 |
4 |
0 |
0.000 |
4 |
|
B |
47 |
18 |
12923 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
47 |
20 |
12800 |
436.7 |
3.8 |
0.933 |
5 |
5 |
0 |
0.000 |
| Average: |
440.1 |
4.0 |
0.933 |
6 |
5 |
0 |
0.000 |
| 3 |
5 |
|
A |
41 |
16 |
12930 |
◊ |
C |
x-1,y-1,z |
1_445 |
43 |
11 |
12800 |
353.0 |
-3.1 |
0.408 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
40 |
15 |
12923 |
◊ |
D |
x,y-1,z |
1_545 |
39 |
10 |
12806 |
351.7 |
-2.9 |
0.422 |
1 |
0 |
0 |
0.000 |
| Average: |
352.4 |
-3.0 |
0.415 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[ADP]C:2291 |
26 |
1 |
551 |
f |
C |
x,y,z |
1_555 |
50 |
21 |
12800 |
336.6 |
-3.5 |
0.701 |
13 |
0 |
0 |
0.193 |
8 |
|
[ADP]D:2292 |
26 |
1 |
552 |
f |
D |
x,y,z |
1_555 |
49 |
21 |
12806 |
334.6 |
-3.4 |
0.703 |
13 |
0 |
0 |
0.193 |
| Average: |
335.6 |
-3.4 |
0.702 |
13 |
0 |
0 |
0.193 |
| 5 |
9 |
|
[ADP]A:1291 |
25 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
48 |
20 |
12930 |
323.6 |
-3.9 |
0.710 |
15 |
0 |
0 |
0.231 |
10 |
|
[ADP]B:1292 |
27 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
49 |
20 |
12923 |
322.2 |
-3.6 |
0.735 |
16 |
0 |
0 |
0.231 |
| Average: |
322.9 |
-3.8 |
0.723 |
16 |
0 |
0 |
0.231 |
| 6 |
11 |
|
A |
23 |
8 |
12930 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
21 |
7 |
12806 |
187.7 |
1.9 |
0.804 |
3 |
4 |
0 |
0.000 |
| 7 |
12 |
|
A |
17 |
8 |
12930 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
15 |
8 |
12800 |
127.2 |
-0.8 |
0.456 |
0 |
0 |
0 |
0.000 |
13 |
|
B |
13 |
6 |
12923 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
8 |
6 |
12806 |
85.6 |
-0.4 |
0.465 |
0 |
0 |
0 |
0.000 |
| Average: |
106.4 |
-0.6 |
0.460 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[SF4]C:2290 |
7 |
1 |
311 |
◊ |
D |
x,y,z |
1_555 |
20 |
9 |
12806 |
123.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.120 |
| 9 |
15 |
|
[SF4]C:2290 |
8 |
1 |
311 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
12800 |
123.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.121 |
| 10 |
16 |
|
[SF4]B:1290 |
8 |
1 |
313 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12923 |
121.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.121 |
| 11 |
17 |
|
[SF4]B:1290 |
8 |
1 |
313 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
12930 |
119.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.120 |
| 12 |
18 |
|
A |
14 |
5 |
12930 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
9 |
3 |
12800 |
118.1 |
1.7 |
0.840 |
2 |
0 |
0 |
0.000 |
19 |
|
B |
6 |
1 |
12923 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
8 |
2 |
12806 |
52.1 |
-0.3 |
0.532 |
0 |
0 |
0 |
0.000 |
| Average: |
85.1 |
0.7 |
0.686 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
C |
10 |
3 |
12800 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
15 |
6 |
12923 |
107.3 |
-0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
B |
3 |
1 |
12923 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
12923 |
44.8 |
0.1 |
0.654 |
1 |
1 |
0 |
0.000 |
| 15 |
22 |
|
[MG]B:1294 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12923 |
42.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.138 |
23 |
|
[MG]C:2293 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12800 |
41.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.138 |
24 |
|
[MG]D:2294 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
12806 |
41.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.138 |
25 |
|
[MG]A:1293 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12930 |
40.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.138 |
| Average: |
41.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.138 |
| 16 |
26 |
|
[ADP]A:1291 |
3 |
1 |
558 |
f |
[MG]A:1293 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.106 |
27 |
|
[ADP]B:1292 |
4 |
1 |
555 |
f |
[MG]B:1294 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.106 |
28 |
|
[ADP]D:2292 |
4 |
1 |
552 |
f |
[MG]D:2294 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.106 |
29 |
|
[ADP]C:2291 |
4 |
1 |
551 |
f |
[MG]C:2293 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
30.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.106 |
| 17 |
30 |
|
B |
3 |
2 |
12923 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
8 |
3 |
12800 |
21.6 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
A |
2 |
1 |
12930 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
12923 |
18.3 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
D |
2 |
1 |
12806 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
12800 |
14.1 |
0.0 |
0.521 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
D |
1 |
1 |
12806 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
12923 |
2.2 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
D |
1 |
1 |
12806 |
◊ |
C |
-x+3/2,-y+2,z-1/2 |
2_674 |
1 |
1 |
12800 |
1.4 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
|