| ## |
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 |
54 |
16 |
8644 |
◊ |
B |
x-1,y,z |
1_455 |
55 |
15 |
8541 |
524.9 |
0.5 |
0.757 |
9 |
5 |
0 |
0.000 |
2 |
|
A |
54 |
13 |
8783 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
56 |
17 |
8860 |
498.4 |
-0.2 |
0.707 |
5 |
4 |
0 |
0.000 |
3 |
|
D |
59 |
14 |
8644 |
◊ |
B |
x,y,z |
1_555 |
54 |
17 |
8541 |
498.2 |
-1.0 |
0.651 |
7 |
3 |
0 |
0.000 |
4 |
|
A |
49 |
15 |
8783 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
53 |
14 |
8860 |
464.9 |
-0.7 |
0.668 |
4 |
3 |
0 |
0.000 |
| Average: |
496.6 |
-0.4 |
0.696 |
6 |
4 |
0 |
0.000 |
| 2 |
5 |
|
[2UK]A:201 |
39 |
1 |
817 |
cf |
A |
x,y,z |
1_555 |
69 |
25 |
8783 |
512.8 |
-5.4 |
0.552 |
25 |
0 |
0 |
0.061 |
6 |
|
[2UK]C:201 |
36 |
1 |
818 |
cf |
C |
x,y,z |
1_555 |
65 |
24 |
8860 |
503.2 |
-4.6 |
0.561 |
24 |
0 |
0 |
0.061 |
7 |
|
[2UK]D:201 |
40 |
1 |
792 |
cf |
D |
x,y,z |
1_555 |
68 |
26 |
8644 |
486.7 |
-5.4 |
0.474 |
24 |
0 |
0 |
0.061 |
8 |
|
[2UK]B:201 |
39 |
1 |
780 |
cf |
B |
x,y,z |
1_555 |
61 |
25 |
8541 |
472.5 |
-4.8 |
0.514 |
21 |
0 |
0 |
0.061 |
| Average: |
493.8 |
-5.1 |
0.525 |
24 |
0 |
0 |
0.061 |
| 3 |
9 |
|
B |
32 |
12 |
8541 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
38 |
13 |
8860 |
323.6 |
-3.5 |
0.331 |
2 |
0 |
0 |
0.000 |
| 4 |
10 |
|
D |
29 |
12 |
8644 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
8783 |
236.1 |
-3.2 |
0.282 |
1 |
0 |
0 |
0.000 |
| 5 |
11 |
|
D |
22 |
7 |
8644 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
24 |
10 |
8541 |
196.8 |
-1.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 6 |
12 |
|
A |
24 |
8 |
8783 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
8644 |
169.7 |
-1.8 |
0.310 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
B |
14 |
6 |
8541 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
15 |
4 |
8644 |
135.3 |
-0.7 |
0.503 |
1 |
0 |
0 |
0.000 |
| 8 |
14 |
|
A |
14 |
6 |
8783 |
◊ |
C |
x,y-1,z |
1_545 |
17 |
5 |
8860 |
117.3 |
-0.7 |
0.512 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
C |
11 |
4 |
8860 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
8783 |
92.8 |
-0.1 |
0.579 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
C |
10 |
4 |
8860 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8541 |
87.0 |
1.0 |
0.786 |
1 |
3 |
0 |
0.000 |
| 11 |
17 |
|
A |
7 |
2 |
8783 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
6 |
8783 |
66.6 |
-0.7 |
0.476 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
C |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
8860 |
66.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.028 |
19 |
|
[CL]D:203 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
8644 |
65.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.028 |
20 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8541 |
62.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
64.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 13 |
21 |
|
[2UK]A:201 |
5 |
1 |
817 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8860 |
64.1 |
-1.6 |
0.292 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[2UK]D:201 |
6 |
1 |
792 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
2 |
8860 |
57.9 |
-1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
D |
4 |
2 |
8644 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
2 |
8860 |
53.3 |
-0.7 |
0.352 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8541 |
41.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.021 |
25 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
8644 |
41.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.021 |
26 |
|
[MG]C:202 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
8860 |
40.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.021 |
27 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8783 |
40.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
40.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 17 |
28 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
[2UK]A:201 |
x,y,z |
1_555 |
5 |
1 |
817 |
34.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.018 |
29 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
[2UK]D:201 |
x,y,z |
1_555 |
5 |
1 |
792 |
33.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.018 |
30 |
|
[MG]C:202 |
1 |
1 |
98 |
f |
[2UK]C:201 |
x,y,z |
1_555 |
5 |
1 |
818 |
33.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.018 |
31 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
[2UK]B:201 |
x,y,z |
1_555 |
6 |
1 |
780 |
32.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
33.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| 18 |
32 |
|
B |
3 |
3 |
8541 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
9 |
3 |
8541 |
33.6 |
-0.2 |
0.499 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[CL]B:203 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8644 |
30.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8783 |
30.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[CL]D:203 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
8541 |
29.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
30.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
36 |
|
B |
3 |
1 |
8541 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
8860 |
20.2 |
0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
D |
2 |
2 |
8644 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
8860 |
6.3 |
0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
[2UK]B:201 |
1 |
1 |
780 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
8644 |
3.8 |
-0.0 |
0.413 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
B |
1 |
1 |
8541 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8783 |
1.1 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
D |
1 |
1 |
8644 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
8860 |
0.8 |
0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
|