| ## |
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 |
78 |
21 |
8671 |
◊ |
A |
x,y,z |
1_555 |
76 |
21 |
8598 |
780.7 |
-10.4 |
0.030 |
10 |
4 |
0 |
0.320 |
| 2 |
2 |
|
[XNV]B:190 |
34 |
1 |
789 |
cf |
B |
x,y,z |
1_555 |
58 |
23 |
8671 |
436.2 |
-6.5 |
0.191 |
8 |
0 |
0 |
0.414 |
3 |
|
[XNV]A:190 |
34 |
1 |
795 |
cf |
A |
x,y,z |
1_555 |
58 |
23 |
8598 |
431.2 |
-6.4 |
0.196 |
8 |
0 |
0 |
0.414 |
| Average: |
433.7 |
-6.4 |
0.193 |
8 |
0 |
0 |
0.414 |
| 3 |
4 |
|
A |
50 |
15 |
8598 |
◊ |
B |
x-1,y,z |
1_455 |
51 |
15 |
8671 |
435.3 |
0.5 |
0.547 |
7 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
49 |
16 |
8671 |
x |
B |
-x,y-1/2,-z |
2_545 |
44 |
14 |
8671 |
382.2 |
-1.8 |
0.337 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
39 |
14 |
8598 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
38 |
11 |
8598 |
300.9 |
-1.8 |
0.348 |
5 |
0 |
0 |
0.000 |
| Average: |
341.6 |
-1.8 |
0.343 |
5 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
32 |
8 |
8598 |
x |
A |
x-1,y,z |
1_455 |
33 |
7 |
8598 |
317.6 |
1.0 |
0.613 |
7 |
0 |
0 |
0.000 |
8 |
|
B |
31 |
6 |
8671 |
x |
B |
x-1,y,z |
1_455 |
31 |
8 |
8671 |
298.2 |
0.5 |
0.553 |
7 |
0 |
0 |
0.000 |
| Average: |
307.9 |
0.7 |
0.583 |
7 |
0 |
0 |
0.000 |
| 6 |
9 |
|
A |
15 |
6 |
8598 |
◊ |
B |
x,y,z-1 |
1_554 |
19 |
9 |
8671 |
165.4 |
1.6 |
0.736 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[EDO]B:191 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
8671 |
113.1 |
4.3 |
0.687 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[EDO]A:191 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
8598 |
111.8 |
4.3 |
0.663 |
4 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[PI]B:195 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
8671 |
107.1 |
-6.4 |
0.664 |
6 |
0 |
0 |
0.189 |
| 10 |
13 |
|
[EDO]B:192 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
8671 |
104.8 |
3.1 |
0.382 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[PI]A:195 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
8598 |
100.7 |
-6.0 |
0.697 |
5 |
0 |
0 |
0.170 |
| 12 |
15 |
|
[PI]A:196 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8598 |
97.7 |
-5.6 |
0.711 |
2 |
0 |
0 |
0.134 |
| 13 |
16 |
|
[EDO]A:192 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
8598 |
97.3 |
2.2 |
0.357 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[EDO]B:193 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
8671 |
82.4 |
3.2 |
0.318 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[EDO]A:193 |
4 |
1 |
185 |
f |
[XNV]A:190 |
x,y,z |
1_555 |
8 |
1 |
795 |
69.3 |
1.7 |
0.835 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]A:194 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8598 |
67.6 |
1.3 |
0.160 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[EDO]B:194 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
8671 |
59.6 |
1.4 |
0.753 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
A |
8 |
4 |
8598 |
◊ |
[PI]A:196 |
x-1,y,z |
1_455 |
5 |
1 |
189 |
59.0 |
-2.7 |
0.824 |
3 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[NH4]A:198 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
8671 |
55.6 |
0.6 |
0.659 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[EDO]B:194 |
4 |
1 |
184 |
f |
B |
x-1,y,z |
1_455 |
11 |
5 |
8671 |
55.2 |
0.4 |
0.528 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[NH4]A:197 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
8598 |
53.9 |
0.8 |
0.690 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]A:193 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8598 |
50.2 |
0.8 |
0.569 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
A |
4 |
2 |
8598 |
◊ |
[XNV]A:190 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
795 |
50.0 |
0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
A |
7 |
2 |
8598 |
◊ |
[EDO]A:193 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
185 |
47.7 |
1.2 |
0.757 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
A |
6 |
4 |
8598 |
f |
[EDO]B:193 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
43.6 |
2.3 |
0.938 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[XNV]A:190 |
2 |
1 |
795 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
8671 |
40.8 |
-1.1 |
0.300 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
6 |
2 |
8598 |
◊ |
[XNV]B:190 |
x-1,y,z |
1_455 |
1 |
1 |
789 |
40.5 |
-1.2 |
0.216 |
0 |
0 |
0 |
0.000 |
| Average: |
40.7 |
-1.2 |
0.258 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
B |
3 |
2 |
8671 |
◊ |
[XNV]B:190 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
789 |
39.8 |
0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
A |
3 |
1 |
8598 |
f |
[EDO]A:192 |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
185 |
37.3 |
1.2 |
0.898 |
1 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[NH4]A:198 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
8598 |
34.8 |
0.5 |
0.781 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
A |
4 |
3 |
8598 |
f |
[NH4]A:197 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
117 |
32.6 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.003 |
| 31 |
35 |
|
B |
3 |
1 |
8671 |
f |
[EDO]B:192 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
185 |
30.5 |
0.8 |
0.858 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[EDO]A:194 |
2 |
1 |
186 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
2 |
8598 |
28.4 |
1.3 |
0.948 |
1 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[EDO]B:193 |
2 |
1 |
184 |
f |
[EDO]B:191 |
x,y,z |
1_555 |
3 |
1 |
184 |
19.1 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
|