## |
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 |
|
C |
118 |
30 |
6528 |
◊ |
B |
x,y,z |
1_555 |
129 |
32 |
6681 |
1100.0 |
-10.9 |
0.362 |
15 |
0 |
0 |
0.463 |
2 |
|
B |
122 |
31 |
6681 |
◊ |
A |
x,y,z |
1_555 |
127 |
33 |
6675 |
1083.0 |
-10.8 |
0.290 |
15 |
0 |
0 |
0.463 |
3 |
|
C |
125 |
33 |
6528 |
◊ |
A |
x,y,z |
1_555 |
116 |
29 |
6675 |
1046.6 |
-11.5 |
0.363 |
18 |
0 |
0 |
0.463 |
Average: |
1076.5 |
-11.1 |
0.338 |
16 |
0 |
0 |
0.463 |
2 |
4 |
|
A |
45 |
11 |
6675 |
◊ |
B |
x-y-1,-y-1,-z+2/3 |
6_445 |
35 |
11 |
6681 |
375.5 |
-0.7 |
0.649 |
5 |
7 |
0 |
0.000 |
3 |
5 |
|
A |
42 |
12 |
6675 |
◊ |
A |
-x,-x+y,-z+1/3 |
5_555 |
42 |
12 |
6675 |
361.0 |
0.3 |
0.788 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
36 |
11 |
6681 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
35 |
11 |
6675 |
338.8 |
-2.3 |
0.477 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
[1Q2]C:201 |
17 |
1 |
426 |
f |
C |
x,y,z |
1_555 |
40 |
12 |
6528 |
253.6 |
1.4 |
0.573 |
2 |
0 |
0 |
0.014 |
8 |
|
[1Q2]B:201 |
17 |
1 |
426 |
f |
B |
x,y,z |
1_555 |
43 |
12 |
6681 |
230.5 |
0.3 |
0.427 |
4 |
0 |
0 |
0.014 |
9 |
|
[1Q2]A:201 |
17 |
1 |
418 |
f |
A |
x,y,z |
1_555 |
42 |
11 |
6675 |
182.6 |
0.2 |
0.491 |
2 |
0 |
0 |
0.014 |
Average: |
222.2 |
0.6 |
0.497 |
3 |
0 |
0 |
0.014 |
6 |
10 |
|
[1Q1]A:202 |
17 |
1 |
415 |
f |
A |
x,y,z |
1_555 |
39 |
10 |
6675 |
172.1 |
0.4 |
0.482 |
3 |
0 |
0 |
0.008 |
7 |
11 |
|
C |
16 |
4 |
6528 |
◊ |
B |
x-y-1,-y-1,-z+2/3 |
6_445 |
21 |
6 |
6681 |
170.6 |
1.1 |
0.841 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[1Q1]A:202 |
17 |
1 |
415 |
f |
[1Q2]A:201 |
x,y,z |
1_555 |
17 |
1 |
418 |
114.2 |
0.7 |
0.355 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[1Q2]C:201 |
9 |
1 |
426 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
6675 |
78.4 |
1.8 |
0.656 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
B |
8 |
4 |
6681 |
◊ |
A |
-x,-x+y,-z+1/3 |
5_555 |
11 |
5 |
6675 |
73.8 |
1.2 |
0.796 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[1Q2]B:201 |
9 |
1 |
426 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
6528 |
73.4 |
1.5 |
0.661 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6681 |
64.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.238 |
17 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6675 |
63.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.238 |
18 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
6528 |
62.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.238 |
Average: |
63.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.238 |
13 |
19 |
|
[CL]B:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6681 |
62.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.156 |
20 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6675 |
61.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
61.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.156 |
14 |
21 |
|
[SO4]A:206 |
5 |
1 |
184 |
f |
B |
x-y-1,-y-1,-z+2/3 |
6_445 |
7 |
4 |
6681 |
61.0 |
-7.7 |
0.691 |
2 |
0 |
0 |
0.073 |
15 |
22 |
|
[1Q2]A:201 |
9 |
1 |
418 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
6681 |
56.0 |
1.1 |
0.647 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
C |
6 |
2 |
6528 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
9 |
4 |
6675 |
52.8 |
0.2 |
0.751 |
1 |
0 |
0 |
0.000 |
24 |
|
B |
7 |
3 |
6681 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
6 |
4 |
6681 |
41.6 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
Average: |
47.2 |
0.1 |
0.680 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[1Q1]A:202 |
7 |
1 |
415 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
6681 |
49.7 |
0.9 |
0.637 |
1 |
0 |
0 |
0.000 |
18 |
26 |
|
C |
5 |
1 |
6528 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
5 |
1 |
6681 |
49.7 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6675 |
48.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.053 |
20 |
28 |
|
[1Q2]B:201 |
2 |
1 |
426 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
5 |
2 |
6675 |
40.4 |
-0.8 |
0.314 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
5 |
2 |
6681 |
◊ |
[1Q2]A:201 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
418 |
28.2 |
-1.1 |
0.246 |
0 |
0 |
0 |
0.000 |
Average: |
34.3 |
-0.9 |
0.280 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
B |
5 |
2 |
6681 |
◊ |
[1Q1]A:202 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
415 |
35.4 |
-0.6 |
0.312 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[SO4]A:206 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6675 |
33.7 |
-3.5 |
0.972 |
1 |
0 |
0 |
0.000 |
23 |
32 |
|
[1Q2]B:201 |
3 |
1 |
426 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
6681 |
32.4 |
-0.9 |
0.272 |
0 |
0 |
0 |
0.000 |
33 |
|
C |
3 |
1 |
6528 |
◊ |
[1Q2]A:201 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
418 |
16.0 |
-0.7 |
0.286 |
0 |
0 |
0 |
0.000 |
Average: |
24.2 |
-0.8 |
0.279 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
B |
-x,-x+y,-z+1/3 |
5_555 |
2 |
1 |
6681 |
30.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
C |
3 |
1 |
6528 |
◊ |
[1Q1]A:202 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
415 |
23.3 |
-0.6 |
0.298 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[SO4]A:206 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6528 |
20.6 |
-2.3 |
0.896 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6528 |
10.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
38 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
6681 |
9.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.023 |
39 |
|
[CL]C:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6675 |
8.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
9.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.023 |
|