## |
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 |
208 |
57 |
9547 |
◊ |
C |
x,y,z |
1_555 |
213 |
57 |
9678 |
1945.4 |
-21.7 |
0.179 |
20 |
6 |
0 |
0.510 |
2 |
|
E |
207 |
56 |
9530 |
◊ |
E |
x,-y,-z+2 |
4_557 |
207 |
56 |
9530 |
1935.0 |
-22.2 |
0.147 |
10 |
6 |
0 |
0.510 |
3 |
|
B |
174 |
50 |
9917 |
◊ |
A |
x,y,z |
1_555 |
174 |
50 |
8644 |
1639.6 |
-17.4 |
0.243 |
17 |
4 |
0 |
0.510 |
Average: |
1840.0 |
-20.4 |
0.189 |
16 |
5 |
0 |
0.510 |
2 |
4 |
|
C |
65 |
21 |
9678 |
◊ |
B |
x,y,z |
1_555 |
65 |
20 |
9917 |
596.9 |
-11.9 |
0.054 |
0 |
0 |
0 |
0.072 |
5 |
|
A |
53 |
19 |
8644 |
◊ |
A |
x,-y,-z+2 |
4_557 |
53 |
19 |
8644 |
555.9 |
-10.8 |
0.057 |
0 |
0 |
0 |
0.072 |
6 |
|
E |
58 |
20 |
9530 |
◊ |
D |
x,y,z |
1_555 |
57 |
20 |
9547 |
551.2 |
-10.7 |
0.061 |
0 |
0 |
0 |
0.072 |
Average: |
568.0 |
-11.1 |
0.057 |
0 |
0 |
0 |
0.072 |
3 |
7 |
|
C |
34 |
11 |
9678 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
37 |
9 |
8644 |
337.0 |
-2.4 |
0.485 |
2 |
3 |
0 |
0.000 |
4 |
8 |
|
B |
34 |
13 |
9917 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
8_457 |
34 |
14 |
9547 |
272.3 |
2.2 |
0.870 |
2 |
0 |
0 |
0.000 |
5 |
9 |
|
E |
28 |
8 |
9530 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
9678 |
200.5 |
-2.5 |
0.131 |
2 |
0 |
0 |
0.028 |
10 |
|
E |
16 |
6 |
9530 |
◊ |
D |
x,-y,-z+2 |
4_557 |
28 |
7 |
9547 |
195.8 |
-3.8 |
0.068 |
0 |
0 |
0 |
0.028 |
11 |
|
D |
17 |
6 |
9547 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
9917 |
192.1 |
-3.4 |
0.114 |
1 |
0 |
0 |
0.028 |
12 |
|
B |
16 |
5 |
9917 |
◊ |
A |
x,-y,-z+2 |
4_557 |
32 |
7 |
8644 |
186.6 |
-3.8 |
0.093 |
0 |
0 |
0 |
0.028 |
Average: |
193.8 |
-3.4 |
0.102 |
1 |
0 |
0 |
0.028 |
6 |
13 |
|
C |
21 |
8 |
9678 |
◊ |
C |
-x+1,y,-z+3/2 |
3_656 |
21 |
8 |
9678 |
192.6 |
-0.7 |
0.617 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
A |
14 |
5 |
8644 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
14 |
5 |
8644 |
111.0 |
-2.4 |
0.283 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
B |
9 |
1 |
9917 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
14 |
5 |
8644 |
99.3 |
-2.6 |
0.136 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[K]A:204 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
15 |
6 |
8644 |
96.5 |
-63.0 |
0.000 |
0 |
0 |
0 |
0.726 |
17 |
|
[K]D:203 |
1 |
1 |
216 |
x |
E |
x,y,z |
1_555 |
14 |
6 |
9530 |
86.9 |
-54.1 |
0.000 |
0 |
0 |
0 |
0.726 |
18 |
|
[K]B:203 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
14 |
6 |
9917 |
86.6 |
-53.8 |
0.000 |
0 |
0 |
0 |
0.726 |
19 |
|
[K]B:203 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
14 |
6 |
9678 |
86.5 |
-54.4 |
0.000 |
0 |
0 |
0 |
0.726 |
20 |
|
[K]D:203 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
12 |
6 |
9547 |
86.0 |
-53.8 |
0.000 |
0 |
0 |
0 |
0.726 |
Average: |
88.5 |
-55.8 |
0.000 |
0 |
0 |
0 |
0.726 |
10 |
21 |
|
[SO4]B:201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
9917 |
85.5 |
-13.5 |
0.654 |
2 |
0 |
0 |
0.190 |
11 |
22 |
|
[CL]D:202 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
11 |
7 |
9547 |
63.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
23 |
|
[CL]C:202 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
11 |
7 |
9678 |
61.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.100 |
24 |
|
[CL]A:202 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
9 |
6 |
8644 |
44.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.100 |
25 |
|
[CL]C:202 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
9917 |
33.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
|
[CL]D:202 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
6 |
3 |
9530 |
31.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
47.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.100 |
12 |
27 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
9547 |
62.8 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.338 |
28 |
|
[CL]E:201 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
9530 |
62.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.338 |
29 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8644 |
62.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.338 |
30 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9917 |
61.7 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.338 |
31 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
9678 |
61.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.338 |
Average: |
62.1 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.338 |
13 |
32 |
|
[SO4]B:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8644 |
61.4 |
-8.7 |
0.670 |
1 |
0 |
0 |
0.121 |
14 |
33 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
C |
-x,y,-z+3/2 |
3_556 |
12 |
5 |
9678 |
58.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.123 |
15 |
34 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
[CL]A:202 |
x,-y,-z+2 |
4_557 |
1 |
1 |
125 |
46.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.100 |
16 |
35 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8644 |
26.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
[CL]D:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9678 |
25.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.105 |
37 |
|
[CL]E:201 |
1 |
1 |
125 |
◊ |
E |
x,-y,-z+2 |
4_557 |
4 |
2 |
9530 |
25.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.105 |
38 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
9547 |
25.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.105 |
39 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9917 |
25.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.105 |
40 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8644 |
24.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
25.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.105 |
18 |
41 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z+3/2 |
3_556 |
2 |
1 |
9917 |
14.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.009 |
19 |
42 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
[CL]A:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.035 |
20 |
43 |
|
[CL]D:201 |
1 |
1 |
125 |
◊ |
[CL]C:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.039 |
21 |
44 |
|
[CL]E:201 |
1 |
1 |
125 |
◊ |
[CL]E:201 |
x,-y,-z+2 |
4_557 |
1 |
1 |
125 |
12.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.047 |
22 |
45 |
|
[K]D:203 |
1 |
1 |
216 |
f |
[CL]D:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.100 |
23 |
46 |
|
[K]B:203 |
1 |
1 |
216 |
f |
[CL]C:202 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.100 |
|