## |
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 |
225 |
64 |
12800 |
◊ |
A |
x,y,z |
1_555 |
229 |
55 |
11295 |
2093.0 |
-25.1 |
0.050 |
26 |
6 |
1 |
0.432 |
2 |
|
D |
222 |
60 |
12645 |
◊ |
C |
x,y,z |
1_555 |
218 |
50 |
11110 |
1996.5 |
-22.2 |
0.071 |
26 |
7 |
1 |
0.432 |
Average: |
2044.7 |
-23.7 |
0.061 |
26 |
7 |
1 |
0.432 |
2 |
3 |
|
D |
72 |
22 |
12645 |
x |
D |
-x+1/2,y-1/2,-z |
4_545 |
68 |
15 |
12645 |
655.9 |
-0.3 |
0.632 |
6 |
0 |
0 |
0.000 |
4 |
|
B |
67 |
15 |
12800 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
73 |
22 |
12800 |
640.0 |
-1.3 |
0.533 |
8 |
2 |
0 |
0.000 |
Average: |
647.9 |
-0.8 |
0.582 |
7 |
1 |
0 |
0.000 |
3 |
5 |
|
C |
59 |
19 |
11110 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
58 |
20 |
11295 |
573.6 |
-4.2 |
0.400 |
8 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
56 |
16 |
12800 |
◊ |
C |
x,y,z |
1_555 |
51 |
13 |
11110 |
492.6 |
-0.6 |
0.613 |
7 |
1 |
0 |
0.000 |
5 |
7 |
|
A |
53 |
14 |
11295 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
53 |
14 |
11295 |
406.8 |
1.4 |
0.826 |
3 |
10 |
0 |
0.000 |
6 |
8 |
|
D |
15 |
5 |
12645 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
12800 |
127.3 |
-0.7 |
0.508 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
16 |
4 |
11295 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
7 |
11110 |
120.7 |
-1.5 |
0.334 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
13 |
5 |
11110 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
11295 |
113.6 |
2.9 |
0.944 |
2 |
2 |
0 |
0.000 |
9 |
11 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11295 |
73.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.109 |
10 |
12 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
12645 |
73.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.137 |
13 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12800 |
73.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
73.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.137 |
11 |
14 |
|
[NO3]D:301 |
4 |
1 |
167 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12645 |
70.0 |
1.5 |
0.642 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[NA]D:306 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
12645 |
69.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.127 |
16 |
|
[NA]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12800 |
66.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
68.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.127 |
13 |
17 |
|
[NO3]B:301 |
4 |
1 |
169 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12800 |
69.3 |
1.5 |
0.628 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
12645 |
65.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.105 |
19 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12800 |
64.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
65.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.105 |
15 |
20 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12800 |
63.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.098 |
21 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12645 |
62.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
63.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.098 |
16 |
22 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
12645 |
63.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.108 |
23 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12800 |
62.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
62.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.108 |
17 |
24 |
|
[NO3]B:301 |
4 |
1 |
169 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
3 |
12800 |
50.6 |
-0.0 |
0.325 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
D |
12 |
3 |
12645 |
◊ |
[NO3]D:301 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
167 |
50.4 |
-0.0 |
0.323 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
B |
4 |
2 |
12800 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
11110 |
34.9 |
0.9 |
0.731 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
B |
5 |
2 |
12800 |
◊ |
[CL]B:303 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
30.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[CL]D:305 |
1 |
1 |
125 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
12645 |
29.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
B |
6 |
1 |
12800 |
◊ |
[CL]B:302 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
29.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
12645 |
28.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
29.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[CL]D:303 |
1 |
1 |
125 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
12645 |
26.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
3 |
1 |
12800 |
◊ |
[CL]B:304 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
23.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
25.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[CL]D:305 |
1 |
1 |
125 |
◊ |
[NO3]D:301 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
167 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[NO3]B:301 |
3 |
1 |
169 |
◊ |
[CL]B:303 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
125 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|