| ## |
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 |
|
D |
138 |
43 |
10071 |
◊ |
A |
x,y,z |
1_555 |
142 |
47 |
9952 |
1413.0 |
-13.2 |
0.249 |
15 |
6 |
0 |
0.280 |
2 |
|
C |
142 |
47 |
10561 |
◊ |
B |
x,y,z |
1_555 |
142 |
46 |
10005 |
1363.6 |
-15.4 |
0.182 |
8 |
3 |
0 |
0.280 |
| Average: |
1388.3 |
-14.3 |
0.216 |
12 |
5 |
0 |
0.280 |
| 2 |
3 |
|
A |
55 |
13 |
9952 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
46 |
19 |
10071 |
429.4 |
-1.1 |
0.644 |
1 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
45 |
12 |
10005 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
11 |
10071 |
410.8 |
-3.5 |
0.280 |
1 |
3 |
0 |
0.000 |
5 |
|
C |
42 |
13 |
10561 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
35 |
12 |
9952 |
334.7 |
0.6 |
0.611 |
5 |
5 |
0 |
0.000 |
| Average: |
372.8 |
-1.4 |
0.446 |
3 |
4 |
0 |
0.000 |
| 4 |
6 |
|
B |
43 |
14 |
10005 |
◊ |
A |
x-1,y-1,z |
1_445 |
47 |
16 |
9952 |
404.9 |
-5.2 |
0.286 |
2 |
1 |
0 |
0.000 |
| 5 |
7 |
|
B |
42 |
13 |
10005 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
8 |
10561 |
326.7 |
-1.1 |
0.637 |
0 |
2 |
0 |
0.000 |
| 6 |
8 |
|
B |
34 |
9 |
10005 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
39 |
11 |
10561 |
310.9 |
-4.6 |
0.254 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
D |
29 |
14 |
10071 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
30 |
9 |
9952 |
307.9 |
-3.8 |
0.250 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
32 |
15 |
10561 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
37 |
12 |
10005 |
299.9 |
1.5 |
0.820 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
33 |
11 |
10561 |
x |
C |
-x,y-1/2,-z |
2_545 |
25 |
4 |
10561 |
287.9 |
1.3 |
0.741 |
6 |
3 |
0 |
0.000 |
| 10 |
12 |
|
[APC]C:1500 |
21 |
1 |
623 |
◊ |
B |
x,y,z |
1_555 |
30 |
15 |
10005 |
248.9 |
4.4 |
0.870 |
5 |
0 |
0 |
0.000 |
13 |
|
[APC]A:1500 |
22 |
1 |
624 |
◊ |
D |
x,y,z |
1_555 |
29 |
14 |
10071 |
234.9 |
3.7 |
0.797 |
4 |
0 |
0 |
0.000 |
14 |
|
[APC]B:1500 |
22 |
1 |
618 |
◊ |
C |
x,y,z |
1_555 |
34 |
15 |
10561 |
232.3 |
3.7 |
0.765 |
2 |
0 |
0 |
0.000 |
15 |
|
[APC]D:1500 |
21 |
1 |
612 |
◊ |
A |
x,y,z |
1_555 |
29 |
13 |
9952 |
209.4 |
4.0 |
0.798 |
2 |
0 |
0 |
0.000 |
| Average: |
231.4 |
4.0 |
0.808 |
3 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[APC]A:1500 |
22 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
9952 |
222.2 |
-4.4 |
0.356 |
4 |
0 |
0 |
0.176 |
17 |
|
[APC]C:1500 |
25 |
1 |
623 |
f |
C |
x,y,z |
1_555 |
27 |
13 |
10561 |
222.1 |
-3.9 |
0.419 |
6 |
0 |
0 |
0.176 |
18 |
|
[APC]B:1500 |
22 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
10005 |
221.0 |
-3.5 |
0.426 |
6 |
0 |
0 |
0.176 |
19 |
|
[APC]D:1500 |
23 |
1 |
612 |
f |
D |
x,y,z |
1_555 |
25 |
13 |
10071 |
216.0 |
-3.9 |
0.407 |
5 |
0 |
0 |
0.176 |
| Average: |
220.3 |
-3.9 |
0.402 |
5 |
0 |
0 |
0.176 |
| 12 |
20 |
|
C |
11 |
3 |
10561 |
◊ |
D |
x-1,y-1,z |
1_445 |
12 |
5 |
10071 |
112.7 |
0.7 |
0.758 |
2 |
0 |
0 |
0.000 |
| 13 |
21 |
|
B |
9 |
4 |
10005 |
◊ |
D |
x-1,y-1,z |
1_445 |
11 |
3 |
10071 |
88.8 |
-0.8 |
0.369 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
D |
8 |
2 |
10071 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
7 |
10071 |
83.2 |
0.8 |
0.689 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
C |
9 |
3 |
10561 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
2 |
9952 |
76.9 |
1.7 |
0.796 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
D |
8 |
4 |
10071 |
x |
D |
-x+3,y-1/2,-z+1 |
2_846 |
5 |
2 |
10071 |
57.9 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
C |
6 |
4 |
10561 |
◊ |
A |
x-1,y-1,z |
1_445 |
7 |
3 |
9952 |
53.2 |
1.2 |
0.846 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
B |
3 |
1 |
10005 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
1 |
10071 |
37.9 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
1 |
1 |
10561 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
9952 |
6.4 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
| Average: |
22.1 |
-0.0 |
0.430 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[MG]A:2000 |
1 |
1 |
98 |
f |
[APC]A:1500 |
x,y,z |
1_555 |
5 |
1 |
624 |
37.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.136 |
29 |
|
[MG]C:2000 |
1 |
1 |
98 |
f |
[APC]C:1500 |
x,y,z |
1_555 |
7 |
1 |
623 |
36.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.136 |
30 |
|
[MG]D:2000 |
1 |
1 |
98 |
f |
[APC]D:1500 |
x,y,z |
1_555 |
5 |
1 |
612 |
36.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.136 |
31 |
|
[MG]B:2000 |
1 |
1 |
98 |
f |
[APC]B:1500 |
x,y,z |
1_555 |
5 |
1 |
618 |
35.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
36.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.136 |
| 20 |
32 |
|
[MG]A:2000 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9952 |
34.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.096 |
33 |
|
[MG]D:2000 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
10071 |
33.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.096 |
34 |
|
[MG]B:2000 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10005 |
31.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
35 |
|
[MG]C:2000 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
10561 |
28.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
32.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| 21 |
36 |
|
A |
3 |
1 |
9952 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
10071 |
29.9 |
1.0 |
0.721 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[CA]C:2100 |
1 |
1 |
85 |
f |
[APC]C:1500 |
x,y,z |
1_555 |
3 |
1 |
623 |
28.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.169 |
38 |
|
[CA]B:2100 |
1 |
1 |
85 |
f |
[APC]B:1500 |
x,y,z |
1_555 |
3 |
1 |
618 |
28.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.169 |
39 |
|
[CA]A:2100 |
1 |
1 |
85 |
f |
[APC]A:1500 |
x,y,z |
1_555 |
4 |
1 |
624 |
28.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.169 |
40 |
|
[CA]D:2100 |
1 |
1 |
85 |
f |
[APC]D:1500 |
x,y,z |
1_555 |
4 |
1 |
612 |
28.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.169 |
| Average: |
28.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.169 |
| 23 |
41 |
|
[CA]C:2100 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
10561 |
28.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.172 |
42 |
|
[CA]B:2100 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
10005 |
28.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.172 |
43 |
|
[CA]D:2100 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
10071 |
28.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.172 |
44 |
|
[CA]A:2100 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9952 |
27.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.172 |
| Average: |
28.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.172 |
| 24 |
45 |
|
[MG]C:2000 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10005 |
17.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.026 |
46 |
|
[MG]B:2000 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
10561 |
13.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.026 |
47 |
|
[MG]D:2000 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9952 |
6.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
12.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.026 |
| 25 |
48 |
|
A |
1 |
1 |
9952 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
9952 |
14.8 |
0.3 |
0.856 |
0 |
0 |
0 |
0.000 |
| 26 |
49 |
|
[APC]C:1500 |
1 |
1 |
623 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10005 |
10.7 |
0.3 |
0.689 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
1 |
1 |
9952 |
◊ |
[APC]D:1500 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
612 |
2.7 |
-0.0 |
0.449 |
0 |
0 |
0 |
0.000 |
| Average: |
6.7 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
| 27 |
51 |
|
[CA]D:2100 |
1 |
1 |
85 |
f |
[MG]D:2000 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| 28 |
52 |
|
[CA]A:2100 |
1 |
1 |
85 |
f |
[MG]A:2000 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.029 |
| 29 |
53 |
|
[CA]B:2100 |
1 |
1 |
85 |
f |
[MG]B:2000 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| 30 |
54 |
|
[CA]C:2100 |
1 |
1 |
85 |
f |
[MG]C:2000 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| 31 |
55 |
|
B |
1 |
1 |
10005 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
10005 |
3.7 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 32 |
56 |
|
C |
1 |
1 |
10561 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
10071 |
0.5 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
|