## |
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 |
117 |
36 |
7173 |
◊ |
A |
x,y,z |
1_555 |
117 |
37 |
7181 |
1204.3 |
-25.9 |
0.016 |
7 |
0 |
1 |
0.856 |
2 |
2 |
|
C |
55 |
17 |
5375 |
◊ |
B |
x,y,z |
1_555 |
50 |
12 |
7173 |
535.3 |
-10.1 |
0.104 |
1 |
0 |
0 |
0.612 |
3 |
|
D |
53 |
16 |
5565 |
◊ |
A |
x,y,z |
1_555 |
46 |
11 |
7181 |
494.1 |
-11.2 |
0.070 |
1 |
0 |
0 |
0.612 |
Average: |
514.7 |
-10.7 |
0.087 |
1 |
0 |
0 |
0.612 |
3 |
4 |
|
D |
39 |
14 |
5565 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
50 |
20 |
7173 |
487.3 |
-5.5 |
0.407 |
8 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
44 |
8 |
5565 |
◊ |
B |
x,y,z |
1_555 |
50 |
12 |
7173 |
387.0 |
-4.5 |
0.453 |
7 |
3 |
0 |
0.149 |
6 |
|
C |
44 |
8 |
5375 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
7181 |
359.8 |
-3.3 |
0.503 |
4 |
1 |
0 |
0.149 |
Average: |
373.4 |
-3.9 |
0.478 |
6 |
2 |
0 |
0.149 |
5 |
7 |
|
A |
30 |
7 |
7181 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
37 |
12 |
7181 |
302.7 |
-1.7 |
0.654 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
21 |
8 |
7181 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
7 |
5565 |
249.7 |
-3.7 |
0.313 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
C |
27 |
8 |
5375 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
26 |
7 |
7173 |
241.1 |
-2.9 |
0.347 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
A |
20 |
4 |
7181 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
14 |
3 |
5375 |
135.9 |
-1.9 |
0.404 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
13 |
4 |
7181 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
11 |
5 |
7173 |
95.3 |
0.4 |
0.740 |
2 |
2 |
0 |
0.000 |
10 |
12 |
|
[NO3]B:1398 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
7173 |
85.0 |
1.4 |
0.650 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
[NO3]B:1397 |
4 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
7173 |
82.9 |
0.5 |
0.546 |
3 |
0 |
0 |
0.050 |
12 |
14 |
|
A |
14 |
6 |
7181 |
◊ |
[EDO]D:1131 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
185 |
81.8 |
1.5 |
0.248 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]C:1129 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
12 |
8 |
5375 |
76.1 |
3.4 |
0.332 |
2 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:1401 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
7181 |
75.3 |
2.1 |
0.306 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]B:1401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
7173 |
74.1 |
1.7 |
0.275 |
3 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]D:1131 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
5565 |
70.7 |
1.4 |
0.777 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[NO3]B:1400 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7173 |
69.7 |
0.9 |
0.509 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[NO3]D:1130 |
4 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7173 |
66.0 |
1.3 |
0.514 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[NO3]B:1400 |
4 |
1 |
161 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
7181 |
65.8 |
0.4 |
0.462 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[CL]A:1398 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7181 |
65.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.393 |
21 |
23 |
|
[NO3]A:1397 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7181 |
60.6 |
1.0 |
0.488 |
2 |
0 |
0 |
0.000 |
22 |
24 |
|
[NO3]B:1399 |
4 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
7173 |
57.2 |
1.2 |
0.499 |
2 |
0 |
0 |
0.000 |
23 |
25 |
|
[NO3]A:1397 |
3 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7173 |
48.2 |
0.6 |
0.102 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[NO3]B:1399 |
3 |
1 |
161 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
5565 |
46.0 |
0.5 |
0.099 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[CL]A:1399 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
5375 |
44.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.338 |
26 |
28 |
|
[NO3]B:1397 |
3 |
1 |
160 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
5375 |
43.3 |
0.4 |
0.093 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[NO3]D:1130 |
4 |
1 |
160 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
5565 |
43.2 |
0.8 |
0.881 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[CL]A:1399 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7181 |
39.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.049 |
29 |
31 |
|
A |
5 |
2 |
7181 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
7181 |
35.7 |
0.7 |
0.687 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[CL]A:1398 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
5565 |
35.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.170 |
31 |
33 |
|
D |
3 |
2 |
5565 |
f |
[NO3]D:1130 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
160 |
33.8 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
C |
5 |
2 |
5375 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
2 |
5565 |
31.0 |
-0.7 |
0.445 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
B |
2 |
1 |
7173 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
5375 |
28.7 |
0.8 |
0.669 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[NO3]B:1399 |
2 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
7181 |
26.0 |
0.6 |
0.915 |
1 |
0 |
0 |
0.000 |
35 |
37 |
|
[CL]A:1399 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7173 |
18.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.094 |
36 |
38 |
|
C |
1 |
1 |
5375 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
7181 |
16.9 |
0.9 |
0.908 |
0 |
1 |
0 |
0.000 |
37 |
39 |
|
[NO3]B:1399 |
1 |
1 |
161 |
f |
[NO3]A:1397 |
x,y,z |
1_555 |
1 |
1 |
161 |
2.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[EDO]C:1129 |
1 |
1 |
187 |
f |
D |
x,y,z-1 |
1_554 |
1 |
1 |
5565 |
1.7 |
0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
|