## |
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 |
271 |
75 |
17133 |
◊ |
A |
x,y,z |
1_555 |
278 |
81 |
17186 |
2615.2 |
-15.5 |
0.157 |
22 |
16 |
0 |
0.235 |
2 |
|
D |
267 |
75 |
16690 |
◊ |
C |
x,y,z |
1_555 |
260 |
73 |
17250 |
2473.9 |
-9.4 |
0.343 |
20 |
11 |
0 |
0.235 |
Average: |
2544.5 |
-12.4 |
0.250 |
21 |
14 |
0 |
0.235 |
2 |
3 |
|
D |
66 |
16 |
16690 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
67 |
18 |
17186 |
620.3 |
-4.3 |
0.267 |
6 |
1 |
0 |
0.000 |
4 |
|
D |
49 |
15 |
16690 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
44 |
13 |
17186 |
418.1 |
1.1 |
0.665 |
2 |
2 |
0 |
0.000 |
Average: |
519.2 |
-1.6 |
0.466 |
4 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
64 |
18 |
17250 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
63 |
16 |
17133 |
589.3 |
-3.6 |
0.328 |
8 |
0 |
0 |
0.000 |
6 |
|
C |
54 |
14 |
17250 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
58 |
18 |
17133 |
519.1 |
-2.0 |
0.433 |
6 |
0 |
0 |
0.000 |
Average: |
554.2 |
-2.8 |
0.381 |
7 |
0 |
0 |
0.000 |
4 |
7 |
|
D |
48 |
15 |
16690 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
61 |
16 |
17250 |
445.1 |
0.4 |
0.609 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
38 |
11 |
17250 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
49 |
16 |
17186 |
412.5 |
-2.4 |
0.360 |
6 |
4 |
0 |
0.000 |
9 |
|
D |
50 |
14 |
16690 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
9 |
17133 |
405.1 |
-2.4 |
0.372 |
5 |
0 |
0 |
0.000 |
Average: |
408.8 |
-2.4 |
0.366 |
6 |
2 |
0 |
0.000 |
6 |
10 |
|
B |
48 |
14 |
17133 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
12 |
17186 |
376.3 |
-1.0 |
0.497 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
33 |
9 |
17250 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
44 |
16 |
16690 |
367.9 |
2.4 |
0.777 |
5 |
4 |
0 |
0.000 |
8 |
12 |
|
A |
45 |
12 |
17186 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
12 |
17133 |
322.5 |
-1.7 |
0.415 |
4 |
1 |
0 |
0.000 |
9 |
13 |
|
C |
33 |
11 |
17250 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
23 |
9 |
17186 |
246.1 |
1.4 |
0.595 |
3 |
0 |
0 |
0.000 |
14 |
|
D |
22 |
8 |
16690 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
35 |
11 |
17133 |
214.5 |
3.9 |
0.865 |
5 |
2 |
0 |
0.000 |
Average: |
230.3 |
2.6 |
0.730 |
4 |
1 |
0 |
0.000 |
10 |
15 |
|
B |
17 |
6 |
17133 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
8 |
17133 |
166.3 |
1.2 |
0.725 |
1 |
3 |
0 |
0.000 |
11 |
16 |
|
D |
15 |
5 |
16690 |
x |
D |
-x+2,y-1/2,-z |
2_745 |
20 |
7 |
16690 |
148.2 |
-0.8 |
0.410 |
1 |
1 |
0 |
0.000 |
12 |
17 |
|
[SO4]C:402 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
12 |
17250 |
111.7 |
-17.5 |
0.628 |
5 |
0 |
0 |
0.389 |
18 |
|
[SO4]D:404 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
16690 |
110.0 |
-17.1 |
0.636 |
5 |
0 |
0 |
0.389 |
Average: |
110.9 |
-17.3 |
0.632 |
5 |
0 |
0 |
0.389 |
13 |
19 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
12 |
17133 |
111.7 |
-17.7 |
0.636 |
7 |
0 |
0 |
0.177 |
14 |
20 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
17186 |
109.3 |
-17.2 |
0.598 |
6 |
0 |
0 |
0.168 |
15 |
21 |
|
A |
11 |
3 |
17186 |
◊ |
C |
x-1,y+1,z |
1_465 |
11 |
6 |
17250 |
106.3 |
0.7 |
0.521 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
A |
14 |
6 |
17186 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
16690 |
101.1 |
0.7 |
0.677 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17186 |
74.6 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.225 |
24 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
16690 |
74.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.225 |
25 |
|
[CL]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
17250 |
73.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.225 |
26 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17133 |
72.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.225 |
Average: |
73.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.225 |
18 |
27 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
16690 |
64.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.168 |
28 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17186 |
63.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.168 |
29 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17133 |
58.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
62.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.168 |
19 |
30 |
|
C |
6 |
1 |
17250 |
x |
C |
-x+2,y-1/2,-z |
2_745 |
5 |
2 |
17250 |
54.0 |
0.6 |
0.725 |
1 |
1 |
0 |
0.000 |
20 |
31 |
|
[CL]D:401 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
16690 |
48.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.064 |
21 |
32 |
|
[CL]B:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17186 |
29.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.040 |
33 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17133 |
26.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
34 |
|
[CL]D:403 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17250 |
26.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
27.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
22 |
35 |
|
[CL]D:401 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
17186 |
10.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
[SO4]C:402 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16690 |
1.0 |
-0.2 |
0.736 |
0 |
0 |
0 |
0.002 |
|