## |
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 |
54 |
12 |
6298 |
◊ |
B |
x,y,z |
1_555 |
63 |
21 |
6044 |
586.2 |
-10.5 |
0.178 |
5 |
7 |
0 |
0.314 |
2 |
|
F |
65 |
21 |
6161 |
◊ |
E |
x,y,z |
1_555 |
51 |
12 |
6242 |
579.5 |
-9.8 |
0.233 |
5 |
7 |
0 |
0.314 |
3 |
|
C |
59 |
21 |
6298 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
6324 |
564.9 |
-10.0 |
0.198 |
4 |
5 |
0 |
0.314 |
4 |
|
E |
60 |
21 |
6242 |
◊ |
D |
x,y,z |
1_555 |
48 |
11 |
6272 |
556.6 |
-10.4 |
0.164 |
4 |
6 |
0 |
0.314 |
5 |
|
F |
48 |
12 |
6161 |
◊ |
D |
x,y,z |
1_555 |
58 |
21 |
6272 |
554.4 |
-10.4 |
0.166 |
4 |
5 |
0 |
0.314 |
6 |
|
B |
45 |
11 |
6044 |
◊ |
A |
x,y,z |
1_555 |
41 |
16 |
6324 |
460.4 |
-6.1 |
0.353 |
4 |
6 |
0 |
0.314 |
Average: |
550.3 |
-9.5 |
0.215 |
4 |
6 |
0 |
0.314 |
2 |
7 |
|
C |
28 |
6 |
6298 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
9 |
6272 |
283.1 |
-5.6 |
0.208 |
0 |
0 |
0 |
0.000 |
8 |
|
E |
24 |
9 |
6242 |
◊ |
A |
x,y,z |
1_555 |
29 |
7 |
6324 |
283.0 |
-5.6 |
0.218 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
28 |
6 |
6044 |
◊ |
F |
x-1/2,y+1/2,z |
5_455 |
24 |
9 |
6161 |
281.6 |
-5.0 |
0.233 |
0 |
0 |
0 |
0.000 |
Average: |
282.5 |
-5.4 |
0.220 |
0 |
0 |
0 |
0.000 |
3 |
10 |
|
B |
25 |
9 |
6044 |
◊ |
E |
x-1/2,y+1/2,z |
5_455 |
25 |
9 |
6242 |
246.1 |
-3.1 |
0.331 |
3 |
0 |
0 |
0.000 |
11 |
|
D |
23 |
10 |
6272 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
6324 |
228.5 |
-3.7 |
0.404 |
2 |
0 |
0 |
0.000 |
12 |
|
C |
27 |
9 |
6298 |
◊ |
F |
x-1,y,z |
1_455 |
22 |
9 |
6161 |
221.3 |
-3.7 |
0.402 |
2 |
0 |
0 |
0.000 |
Average: |
232.0 |
-3.5 |
0.379 |
2 |
0 |
0 |
0.000 |
4 |
13 |
|
D |
16 |
7 |
6272 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
6044 |
178.6 |
-0.7 |
0.622 |
2 |
0 |
0 |
0.000 |
14 |
|
A |
18 |
6 |
6324 |
◊ |
F |
x-1,y,z |
1_455 |
17 |
6 |
6161 |
174.6 |
-0.8 |
0.637 |
2 |
0 |
0 |
0.000 |
15 |
|
C |
20 |
7 |
6298 |
◊ |
E |
x-1/2,y+1/2,z |
5_455 |
16 |
7 |
6242 |
137.8 |
-1.5 |
0.578 |
1 |
0 |
0 |
0.000 |
Average: |
163.7 |
-1.0 |
0.612 |
2 |
0 |
0 |
0.000 |
5 |
16 |
|
C |
13 |
2 |
6298 |
◊ |
B |
x,-y+1,-z |
4_565 |
16 |
5 |
6044 |
118.5 |
0.6 |
0.788 |
3 |
0 |
0 |
0.000 |
17 |
|
E |
14 |
4 |
6242 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
12 |
2 |
6272 |
115.7 |
1.4 |
0.859 |
3 |
0 |
0 |
0.000 |
Average: |
117.1 |
1.0 |
0.824 |
3 |
0 |
0 |
0.000 |
6 |
18 |
|
[EDO]F:204 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
19 |
9 |
6161 |
110.6 |
3.5 |
0.517 |
2 |
0 |
0 |
0.000 |
7 |
19 |
|
A |
9 |
2 |
6324 |
◊ |
A |
x,-y+1,-z |
4_565 |
9 |
2 |
6324 |
76.0 |
1.1 |
0.852 |
2 |
0 |
0 |
0.000 |
20 |
|
F |
3 |
2 |
6161 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
3 |
2 |
6161 |
16.4 |
0.6 |
0.835 |
0 |
0 |
0 |
0.000 |
Average: |
46.2 |
0.9 |
0.844 |
1 |
0 |
0 |
0.000 |
8 |
21 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
6242 |
74.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.085 |
9 |
22 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
6044 |
61.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.224 |
23 |
|
[CL]F:203 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
6161 |
61.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.224 |
24 |
|
[CL]F:202 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
6242 |
59.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.224 |
25 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
6272 |
59.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.224 |
26 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6324 |
58.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.224 |
27 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
6298 |
57.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
59.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.224 |
10 |
28 |
|
[CL]F:201 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
6161 |
47.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.161 |
29 |
|
[CL]E:201 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
6242 |
46.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.161 |
30 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6044 |
46.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.161 |
31 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
6272 |
46.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.161 |
32 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6298 |
46.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.161 |
33 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6324 |
45.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
46.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.161 |
11 |
34 |
|
[CL]F:201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6272 |
47.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
35 |
|
[CL]D:201 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
6242 |
46.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.133 |
36 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6298 |
46.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.133 |
37 |
|
[CL]C:202 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6044 |
45.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
38 |
|
[CL]B:201 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
6324 |
43.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.133 |
39 |
|
[CL]E:201 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
6161 |
43.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
45.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.133 |
12 |
40 |
|
D |
7 |
4 |
6272 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
7 |
4 |
6272 |
43.4 |
-0.7 |
0.530 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
4 |
2 |
6298 |
◊ |
C |
x,-y+1,-z |
4_565 |
4 |
2 |
6298 |
25.5 |
-0.7 |
0.413 |
0 |
0 |
0 |
0.000 |
Average: |
34.5 |
-0.7 |
0.471 |
0 |
0 |
0 |
0.000 |
13 |
42 |
|
F |
10 |
5 |
6161 |
◊ |
E |
-x+1,y,-z+1/2 |
3_655 |
6 |
3 |
6242 |
42.3 |
-0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
7 |
4 |
6044 |
◊ |
A |
x,-y+1,-z |
4_565 |
9 |
5 |
6324 |
34.4 |
0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
Average: |
38.3 |
-0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
14 |
44 |
|
[CL]F:203 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6272 |
29.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.053 |
45 |
|
[CL]D:202 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6242 |
28.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.053 |
46 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6044 |
27.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.053 |
47 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6298 |
26.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.053 |
48 |
|
[CL]F:202 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
6161 |
25.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.053 |
49 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6324 |
24.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
27.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.053 |
15 |
50 |
|
[CL]C:202 |
1 |
1 |
125 |
f |
[CL]C:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.040 |
16 |
51 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
[CL]A:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.039 |
17 |
52 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
[CL]A:203 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.038 |
18 |
53 |
|
[CL]D:202 |
1 |
1 |
125 |
f |
[CL]D:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.034 |
19 |
54 |
|
[CL]F:202 |
1 |
1 |
125 |
f |
[CL]E:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.033 |
20 |
55 |
|
[CL]F:203 |
1 |
1 |
125 |
f |
[CL]F:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.029 |
21 |
56 |
|
A |
1 |
1 |
6324 |
f |
[EDO]F:204 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
8.0 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
|