| ## |
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 |
92 |
23 |
17493 |
◊ |
B |
x,y,z |
1_555 |
93 |
30 |
17792 |
872.4 |
-6.0 |
0.305 |
8 |
4 |
0 |
0.000 |
2 |
|
A |
95 |
23 |
17329 |
◊ |
C |
x-1,y,z |
1_455 |
91 |
27 |
17512 |
872.1 |
-4.0 |
0.398 |
10 |
4 |
0 |
0.000 |
3 |
|
C |
94 |
23 |
17512 |
◊ |
A |
x,y,z |
1_555 |
92 |
27 |
17329 |
863.3 |
-5.7 |
0.323 |
8 |
4 |
0 |
0.000 |
4 |
|
B |
91 |
23 |
17792 |
◊ |
D |
x-1,y,z |
1_455 |
96 |
28 |
17493 |
860.8 |
-4.2 |
0.420 |
9 |
4 |
0 |
0.000 |
| Average: |
867.1 |
-5.0 |
0.361 |
9 |
4 |
0 |
0.000 |
| 2 |
5 |
|
C |
28 |
10 |
17512 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
25 |
9 |
17329 |
230.9 |
-2.3 |
0.321 |
0 |
0 |
0 |
0.000 |
6 |
|
B |
23 |
8 |
17792 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
24 |
8 |
17493 |
224.3 |
-2.7 |
0.238 |
0 |
0 |
0 |
0.000 |
| Average: |
227.6 |
-2.5 |
0.280 |
0 |
0 |
0 |
0.000 |
| 3 |
7 |
|
[NGW]C:2041 |
14 |
1 |
358 |
f |
C |
x,y,z |
1_555 |
43 |
11 |
17512 |
230.1 |
3.9 |
0.558 |
4 |
0 |
0 |
0.000 |
8 |
|
[NGW]A:2042 |
14 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
44 |
11 |
17329 |
230.1 |
3.6 |
0.538 |
4 |
0 |
0 |
0.000 |
9 |
|
[NGW]B:2044 |
14 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
41 |
11 |
17792 |
228.1 |
3.9 |
0.569 |
4 |
0 |
0 |
0.000 |
10 |
|
[NGW]D:2040 |
14 |
1 |
356 |
f |
D |
x,y,z |
1_555 |
42 |
11 |
17493 |
226.9 |
3.8 |
0.558 |
4 |
0 |
0 |
0.000 |
| Average: |
228.8 |
3.8 |
0.556 |
4 |
0 |
0 |
0.000 |
| 4 |
11 |
|
B |
25 |
8 |
17792 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
17329 |
167.4 |
2.3 |
0.817 |
2 |
5 |
0 |
0.000 |
12 |
|
C |
23 |
10 |
17512 |
◊ |
D |
x,y,z-1 |
1_554 |
21 |
9 |
17493 |
153.8 |
0.6 |
0.659 |
0 |
1 |
0 |
0.000 |
| Average: |
160.6 |
1.4 |
0.738 |
1 |
3 |
0 |
0.000 |
| 5 |
13 |
|
B |
12 |
5 |
17792 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
11 |
5 |
17493 |
128.1 |
-1.7 |
0.246 |
0 |
0 |
0 |
0.043 |
14 |
|
C |
12 |
5 |
17512 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
5 |
17329 |
125.0 |
-2.4 |
0.154 |
0 |
0 |
0 |
0.043 |
| Average: |
126.6 |
-2.0 |
0.200 |
0 |
0 |
0 |
0.043 |
| 6 |
15 |
|
A |
13 |
6 |
17329 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
14 |
6 |
17512 |
125.2 |
-0.8 |
0.459 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
12 |
5 |
17493 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
13 |
5 |
17792 |
122.5 |
-0.7 |
0.464 |
0 |
0 |
0 |
0.000 |
| Average: |
123.8 |
-0.8 |
0.462 |
0 |
0 |
0 |
0.000 |
| 7 |
17 |
|
[EDO]C:2046 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
17512 |
112.1 |
3.1 |
0.418 |
2 |
0 |
0 |
0.000 |
| 8 |
18 |
|
[EDO]A:2047 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17329 |
87.7 |
2.2 |
0.286 |
4 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[EDO]C:2047 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
17512 |
81.1 |
1.5 |
0.194 |
0 |
0 |
0 |
0.000 |
| 10 |
20 |
|
[EDO]C:2045 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
17512 |
70.6 |
1.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[MG]A:2043 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17329 |
56.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.279 |
22 |
|
[MG]C:2042 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
17512 |
55.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.279 |
23 |
|
[MG]B:2045 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17792 |
54.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.279 |
| Average: |
55.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.279 |
| 12 |
24 |
|
[MG]A:2046 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17329 |
53.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.301 |
25 |
|
[MG]C:2044 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
17512 |
53.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.301 |
| Average: |
53.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.301 |
| 13 |
26 |
|
[MG]C:2043 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17512 |
52.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.144 |
| 14 |
27 |
|
A |
8 |
1 |
17329 |
f |
[EDO]C:2045 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
49.2 |
0.7 |
0.492 |
0 |
0 |
0 |
0.000 |
| 15 |
28 |
|
[MG]A:2045 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
17329 |
49.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.179 |
| 16 |
29 |
|
[MG]A:2044 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17329 |
38.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.190 |
30 |
|
C |
6 |
3 |
17512 |
◊ |
[MG]A:2044 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
98 |
37.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
38.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.190 |
| 17 |
31 |
|
D |
4 |
3 |
17493 |
x |
D |
-x,y-1/2,-z |
2_545 |
6 |
3 |
17493 |
15.7 |
-0.3 |
0.474 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
2 |
1 |
17792 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
17792 |
9.0 |
-0.2 |
0.420 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
2 |
1 |
17329 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
17329 |
4.9 |
-0.1 |
0.464 |
0 |
0 |
0 |
0.000 |
| Average: |
9.9 |
-0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
| 18 |
34 |
|
A |
1 |
1 |
17329 |
f |
[EDO]C:2047 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
1.7 |
0.1 |
0.899 |
0 |
0 |
0 |
0.000 |
|