## |
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 |
78 |
22 |
4823 |
◊ |
A |
x,y,z |
1_555 |
83 |
22 |
4908 |
880.5 |
-17.3 |
0.099 |
4 |
7 |
0 |
0.670 |
2 |
|
C |
82 |
23 |
4858 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
4908 |
870.1 |
-15.9 |
0.144 |
3 |
5 |
0 |
0.670 |
3 |
|
C |
70 |
21 |
4858 |
◊ |
B |
x,y,z |
1_555 |
84 |
21 |
4823 |
868.3 |
-16.7 |
0.099 |
5 |
9 |
0 |
0.670 |
Average: |
873.0 |
-16.6 |
0.114 |
4 |
7 |
0 |
0.670 |
2 |
4 |
|
B |
40 |
11 |
4823 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
40 |
11 |
4858 |
369.9 |
2.0 |
0.892 |
5 |
4 |
0 |
0.000 |
3 |
5 |
|
C |
16 |
4 |
4858 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
12 |
3 |
4823 |
123.6 |
-1.1 |
0.599 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
13 |
3 |
4908 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
18 |
5 |
4908 |
118.6 |
-0.6 |
0.622 |
1 |
0 |
0 |
0.000 |
Average: |
121.1 |
-0.8 |
0.611 |
1 |
0 |
0 |
0.000 |
4 |
7 |
|
B |
15 |
3 |
4823 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
2 |
4823 |
96.4 |
-0.2 |
0.657 |
4 |
0 |
0 |
0.000 |
8 |
|
C |
18 |
3 |
4858 |
x |
C |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
2 |
4858 |
95.2 |
-0.5 |
0.643 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
12 |
3 |
4908 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
4908 |
90.1 |
-0.1 |
0.638 |
3 |
0 |
0 |
0.000 |
Average: |
93.9 |
-0.3 |
0.646 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
C |
9 |
5 |
4858 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
4908 |
89.2 |
-1.6 |
0.469 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
7 |
3 |
4858 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
4 |
4908 |
88.5 |
-0.3 |
0.640 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
4 |
2 |
4823 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
4823 |
31.3 |
-0.7 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
59.9 |
-0.5 |
0.580 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
[ACE]C:0 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
4858 |
67.0 |
-0.6 |
0.777 |
2 |
0 |
0 |
0.018 |
8 |
14 |
|
[ACE]B:0 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
4823 |
66.9 |
-0.5 |
0.789 |
2 |
0 |
0 |
0.018 |
9 |
15 |
|
C |
13 |
2 |
4858 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
2 |
4908 |
65.9 |
-0.7 |
0.422 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
9 |
2 |
4823 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
4858 |
56.3 |
-1.1 |
0.298 |
0 |
0 |
0 |
0.000 |
17 |
|
A |
7 |
2 |
4908 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
4823 |
33.2 |
-0.9 |
0.119 |
0 |
0 |
0 |
0.000 |
Average: |
51.8 |
-0.9 |
0.279 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
A |
8 |
3 |
4908 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
4 |
4908 |
65.0 |
1.6 |
0.838 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
4 |
3 |
4823 |
x |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
4858 |
19.4 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
42.2 |
0.9 |
0.796 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
4908 |
62.3 |
-0.4 |
0.779 |
2 |
0 |
0 |
0.015 |
12 |
21 |
|
B |
6 |
3 |
4823 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
4823 |
48.4 |
0.9 |
0.802 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
4 |
3 |
4908 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
4858 |
15.5 |
0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
Average: |
32.0 |
0.6 |
0.760 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
A |
6 |
2 |
4908 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
4858 |
44.4 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
4908 |
42.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.159 |
25 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
4858 |
39.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.159 |
26 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
4823 |
32.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
38.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.159 |
15 |
27 |
|
B |
8 |
3 |
4823 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
4908 |
41.2 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
4858 |
40.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.131 |
29 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
4823 |
39.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.131 |
30 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
4908 |
39.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
39.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.131 |
17 |
31 |
|
B |
6 |
2 |
4823 |
◊ |
[ACE]B:0 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
172 |
37.5 |
-0.7 |
0.675 |
0 |
0 |
0 |
0.000 |
18 |
32 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
4908 |
37.3 |
0.4 |
0.789 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
C |
6 |
2 |
4858 |
◊ |
[ACE]C:0 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
172 |
36.1 |
-0.7 |
0.675 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
B |
4 |
1 |
4823 |
◊ |
[CL]B:202 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
31.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
4 |
1 |
4908 |
◊ |
[CL]A:204 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
31.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
6 |
1 |
4858 |
◊ |
[CL]C:203 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
28.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
A |
6 |
2 |
4908 |
◊ |
[ACE]A:0 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
171 |
30.2 |
-0.5 |
0.785 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4823 |
26.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.059 |
39 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4908 |
24.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.059 |
40 |
|
[CL]C:203 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4858 |
23.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
24.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.059 |
23 |
41 |
|
B |
3 |
1 |
4823 |
◊ |
[ACE]C:0 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
172 |
25.2 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
24 |
42 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
[ACE]B:0 |
x,y,z |
1_555 |
2 |
1 |
172 |
22.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
25 |
43 |
|
C |
5 |
2 |
4858 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
4823 |
20.5 |
0.7 |
0.819 |
0 |
0 |
0 |
0.000 |
26 |
44 |
|
B |
4 |
2 |
4823 |
◊ |
[CL]A:204 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
19.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
4 |
2 |
4908 |
◊ |
[CL]C:203 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
14.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
4 |
2 |
4858 |
◊ |
[CL]B:202 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
125 |
11.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
14.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
A |
1 |
1 |
4908 |
◊ |
[ACE]B:0 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
172 |
18.4 |
-0.0 |
0.757 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
[CL]C:203 |
1 |
1 |
125 |
f |
[ACE]A:0 |
x,y,z |
1_555 |
3 |
1 |
171 |
17.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.040 |
49 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
[ACE]C:0 |
x,y,z |
1_555 |
3 |
1 |
172 |
14.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
16.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.040 |
29 |
50 |
|
C |
1 |
1 |
4858 |
◊ |
[ACE]A:0 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
171 |
15.9 |
-0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
B |
1 |
1 |
4823 |
◊ |
[ACE]C:0 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
172 |
11.5 |
-0.0 |
0.863 |
0 |
0 |
0 |
0.000 |
31 |
52 |
|
C |
1 |
1 |
4858 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
4823 |
6.5 |
-0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
53 |
|
A |
2 |
1 |
4908 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
4858 |
6.3 |
-0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
54 |
|
B |
1 |
1 |
4823 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
4908 |
2.1 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
-0.2 |
0.420 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[ACE]B:0 |
1 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4908 |
4.2 |
0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
|