| ## |
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 |
|
C |
103 |
32 |
16402 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
102 |
31 |
15921 |
1006.4 |
-7.0 |
0.192 |
14 |
11 |
0 |
0.228 |
2 |
|
D |
104 |
31 |
16291 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
110 |
31 |
16646 |
997.4 |
-5.7 |
0.279 |
16 |
11 |
0 |
0.228 |
| Average: |
1001.9 |
-6.3 |
0.236 |
15 |
11 |
0 |
0.228 |
| 2 |
3 |
|
D |
62 |
22 |
16291 |
◊ |
B |
-x,y,-z+1 |
2_556 |
46 |
14 |
16646 |
451.9 |
-6.0 |
0.126 |
1 |
1 |
0 |
0.000 |
4 |
|
C |
40 |
13 |
16402 |
◊ |
A |
-x,y,-z |
2_555 |
55 |
20 |
15921 |
417.8 |
-5.5 |
0.124 |
1 |
1 |
0 |
0.000 |
| Average: |
434.9 |
-5.8 |
0.125 |
1 |
1 |
0 |
0.000 |
| 3 |
5 |
|
B |
31 |
9 |
16646 |
x |
B |
x,y-1,z |
1_545 |
24 |
8 |
16646 |
268.2 |
-0.2 |
0.570 |
5 |
0 |
0 |
0.000 |
6 |
|
C |
28 |
11 |
16402 |
x |
C |
x,y-1,z |
1_545 |
25 |
8 |
16402 |
223.7 |
-0.5 |
0.477 |
1 |
0 |
0 |
0.000 |
| Average: |
245.9 |
-0.4 |
0.524 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
B |
30 |
12 |
16646 |
◊ |
A |
x,y,z |
1_555 |
28 |
12 |
15921 |
267.4 |
0.9 |
0.526 |
2 |
3 |
0 |
0.000 |
| 5 |
8 |
|
D |
25 |
5 |
16291 |
◊ |
D |
-x,y,-z+1 |
2_556 |
25 |
5 |
16291 |
226.6 |
-2.3 |
0.278 |
6 |
6 |
0 |
0.000 |
| 6 |
9 |
|
C |
35 |
7 |
16402 |
◊ |
B |
x,y,z |
1_555 |
30 |
7 |
16646 |
225.3 |
-4.7 |
0.103 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
D |
27 |
8 |
16291 |
◊ |
B |
-x,y-1,-z+1 |
2_546 |
20 |
7 |
16646 |
192.9 |
-1.1 |
0.418 |
2 |
1 |
0 |
0.000 |
11 |
|
A |
20 |
9 |
15921 |
◊ |
C |
-x,y-1,-z |
2_545 |
15 |
6 |
16402 |
172.1 |
-1.6 |
0.234 |
1 |
0 |
0 |
0.000 |
| Average: |
182.5 |
-1.3 |
0.326 |
2 |
1 |
0 |
0.000 |
| 8 |
12 |
|
D |
22 |
8 |
16291 |
x |
D |
x,y-1,z |
1_545 |
15 |
5 |
16291 |
173.6 |
2.3 |
0.837 |
2 |
3 |
0 |
0.000 |
13 |
|
A |
23 |
8 |
15921 |
x |
A |
x,y-1,z |
1_545 |
13 |
4 |
15921 |
170.7 |
3.3 |
0.904 |
4 |
2 |
0 |
0.000 |
| Average: |
172.1 |
2.8 |
0.871 |
3 |
3 |
0 |
0.000 |
| 9 |
14 |
|
[TAR]D:503 |
10 |
1 |
269 |
f |
D |
x,y,z |
1_555 |
24 |
14 |
16291 |
168.2 |
-1.0 |
0.359 |
12 |
0 |
0 |
0.100 |
| 10 |
15 |
|
[TAR]C:503 |
10 |
1 |
271 |
f |
C |
x,y,z |
1_555 |
21 |
13 |
16402 |
163.1 |
0.8 |
0.561 |
9 |
0 |
0 |
0.014 |
| 11 |
16 |
|
[TAR]A:504 |
10 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
23 |
14 |
15921 |
162.4 |
1.8 |
0.658 |
11 |
0 |
0 |
0.012 |
| 12 |
17 |
|
[TAR]B:503 |
10 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
16646 |
155.8 |
1.3 |
0.632 |
8 |
0 |
0 |
0.036 |
| 13 |
18 |
|
[TAR]A:503 |
10 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
15921 |
142.2 |
-0.7 |
0.422 |
3 |
0 |
0 |
0.008 |
| 14 |
19 |
|
D |
12 |
4 |
16291 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
16646 |
99.4 |
1.8 |
0.760 |
2 |
3 |
0 |
0.000 |
| 15 |
20 |
|
C |
15 |
5 |
16402 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15921 |
87.2 |
1.8 |
0.734 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
D |
11 |
3 |
16291 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
6 |
2 |
15921 |
65.9 |
1.9 |
0.852 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
C |
11 |
5 |
16402 |
◊ |
[TAR]A:503 |
x-1/2,y+1/2,z |
3_455 |
5 |
1 |
267 |
65.8 |
1.2 |
0.640 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
C |
6 |
3 |
16402 |
x |
C |
-x-1/2,y-1/2,-z |
4_445 |
12 |
5 |
16402 |
62.2 |
0.8 |
0.753 |
1 |
2 |
0 |
0.000 |
24 |
|
B |
7 |
4 |
16646 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
4 |
16646 |
62.1 |
1.4 |
0.836 |
1 |
2 |
0 |
0.000 |
| Average: |
62.1 |
1.1 |
0.795 |
1 |
2 |
0 |
0.000 |
| 19 |
25 |
|
D |
6 |
2 |
16291 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
9 |
3 |
15921 |
58.9 |
1.7 |
0.862 |
2 |
2 |
0 |
0.000 |
| 20 |
26 |
|
A |
8 |
4 |
15921 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
3 |
16646 |
55.9 |
-1.3 |
0.216 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
D |
9 |
5 |
16291 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
16402 |
55.5 |
1.9 |
0.876 |
0 |
1 |
0 |
0.000 |
| 22 |
28 |
|
[MG]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
16646 |
51.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.307 |
29 |
|
[MG]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16402 |
50.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.307 |
30 |
|
[MG]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
16291 |
50.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.307 |
31 |
|
[MG]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15921 |
40.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.307 |
| Average: |
48.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.307 |
| 23 |
32 |
|
D |
4 |
1 |
16291 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
16646 |
42.4 |
-0.2 |
0.372 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
A |
4 |
2 |
15921 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
2 |
15921 |
41.8 |
-0.3 |
0.438 |
1 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
16291 |
38.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.218 |
35 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
15921 |
36.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.218 |
36 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
16402 |
36.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.218 |
37 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
16646 |
36.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.218 |
| Average: |
36.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.218 |
| 26 |
38 |
|
A |
3 |
1 |
15921 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
2 |
16402 |
32.8 |
-0.6 |
0.239 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[TAR]B:503 |
4 |
1 |
267 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.064 |
40 |
|
[TAR]A:503 |
3 |
1 |
267 |
f |
[MG]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
27.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.064 |
| 28 |
41 |
|
[TAR]C:503 |
4 |
1 |
271 |
f |
[MG]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.013 |
| 29 |
42 |
|
[TAR]A:504 |
3 |
1 |
271 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| 30 |
43 |
|
[TAR]D:503 |
3 |
1 |
269 |
f |
[MG]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.046 |
|