## |
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 |
|
A |
190 |
45 |
13501 |
◊ |
A |
-x,y,-z |
2_555 |
191 |
45 |
13501 |
1830.9 |
-11.7 |
0.476 |
40 |
10 |
0 |
0.537 |
2 |
|
B |
192 |
44 |
13346 |
◊ |
B |
-x,y,-z |
2_555 |
191 |
44 |
13346 |
1826.5 |
-11.3 |
0.621 |
38 |
10 |
0 |
0.537 |
3 |
|
D |
182 |
42 |
13131 |
◊ |
D |
-x,y,-z+1 |
2_556 |
182 |
42 |
13131 |
1792.1 |
-9.7 |
0.567 |
38 |
18 |
0 |
0.537 |
4 |
|
C |
186 |
44 |
13200 |
◊ |
C |
-x,y,-z+1 |
2_556 |
186 |
44 |
13200 |
1789.6 |
-9.0 |
0.587 |
38 |
10 |
0 |
0.537 |
Average: |
1809.8 |
-10.4 |
0.563 |
39 |
12 |
0 |
0.537 |
2 |
5 |
|
B |
139 |
36 |
13346 |
◊ |
A |
x,y,z |
1_555 |
138 |
36 |
13501 |
1366.0 |
-14.3 |
0.212 |
21 |
4 |
0 |
0.439 |
6 |
|
D |
112 |
34 |
13131 |
◊ |
C |
x,y,z |
1_555 |
118 |
30 |
13200 |
1138.0 |
-15.2 |
0.079 |
8 |
0 |
0 |
0.439 |
Average: |
1252.0 |
-14.8 |
0.146 |
15 |
2 |
0 |
0.439 |
3 |
7 |
|
[M9Z]C:301 |
32 |
1 |
683 |
f |
C |
x,y,z |
1_555 |
58 |
20 |
13200 |
403.2 |
-4.3 |
0.543 |
2 |
0 |
0 |
0.176 |
8 |
|
[M9Z]A:301 |
32 |
1 |
675 |
f |
A |
x,y,z |
1_555 |
60 |
20 |
13501 |
401.1 |
-3.8 |
0.597 |
2 |
0 |
0 |
0.176 |
9 |
|
[M9Z]D:301 |
32 |
1 |
678 |
f |
D |
x,y,z |
1_555 |
61 |
20 |
13131 |
400.5 |
-3.9 |
0.590 |
2 |
0 |
0 |
0.176 |
10 |
|
[M9Z]B:301 |
31 |
1 |
676 |
f |
B |
x,y,z |
1_555 |
59 |
19 |
13346 |
399.5 |
-4.1 |
0.601 |
2 |
0 |
0 |
0.176 |
Average: |
401.1 |
-4.0 |
0.583 |
2 |
0 |
0 |
0.176 |
4 |
11 |
|
C |
43 |
12 |
13200 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
13501 |
351.7 |
-4.0 |
0.330 |
3 |
0 |
0 |
0.004 |
5 |
12 |
|
D |
32 |
9 |
13131 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
13501 |
290.2 |
1.1 |
0.828 |
3 |
0 |
0 |
0.000 |
6 |
13 |
|
C |
35 |
10 |
13200 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
31 |
9 |
13131 |
251.2 |
-1.5 |
0.568 |
4 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
21 |
8 |
13200 |
◊ |
C |
-x-1,y,-z+1 |
2_456 |
21 |
8 |
13200 |
199.3 |
-0.5 |
0.627 |
2 |
2 |
0 |
0.000 |
15 |
|
A |
19 |
6 |
13501 |
◊ |
A |
-x-1,y,-z |
2_455 |
19 |
6 |
13501 |
197.3 |
-0.6 |
0.602 |
2 |
2 |
0 |
0.000 |
Average: |
198.3 |
-0.5 |
0.614 |
2 |
2 |
0 |
0.000 |
8 |
16 |
|
[MES]C:302 |
12 |
1 |
340 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
13200 |
175.0 |
4.1 |
0.174 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
[MES]A:302 |
12 |
1 |
339 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
13501 |
171.6 |
3.7 |
0.127 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
A |
19 |
7 |
13501 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
22 |
8 |
13346 |
162.2 |
-0.6 |
0.627 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
C |
20 |
8 |
13200 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
13346 |
143.1 |
-1.0 |
0.484 |
2 |
0 |
0 |
0.001 |
12 |
20 |
|
[M9Z]B:301 |
13 |
1 |
676 |
◊ |
B |
-x,y,-z |
2_555 |
10 |
2 |
13346 |
88.2 |
-0.7 |
0.681 |
0 |
0 |
0 |
0.026 |
21 |
|
[M9Z]D:301 |
12 |
1 |
678 |
◊ |
D |
-x,y,-z+1 |
2_556 |
10 |
2 |
13131 |
87.7 |
-0.7 |
0.660 |
0 |
0 |
0 |
0.026 |
22 |
|
[M9Z]C:301 |
12 |
1 |
683 |
◊ |
C |
-x,y,-z+1 |
2_556 |
10 |
2 |
13200 |
87.0 |
-0.7 |
0.673 |
0 |
0 |
0 |
0.026 |
23 |
|
[M9Z]A:301 |
13 |
1 |
675 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
2 |
13501 |
86.8 |
-0.7 |
0.680 |
0 |
0 |
0 |
0.026 |
Average: |
87.4 |
-0.7 |
0.673 |
0 |
0 |
0 |
0.026 |
13 |
24 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
13131 |
70.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.206 |
14 |
25 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
13131 |
67.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.181 |
15 |
26 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13346 |
62.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.206 |
16 |
27 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
-x,y,-z |
2_555 |
7 |
4 |
13346 |
48.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.244 |
28 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
-x,y,-z |
2_555 |
6 |
4 |
13501 |
48.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.244 |
29 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
-x,y,-z+1 |
2_556 |
7 |
4 |
13131 |
47.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.244 |
30 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
-x,y,-z+1 |
2_556 |
7 |
4 |
13200 |
47.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.244 |
Average: |
48.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.244 |
17 |
31 |
|
[CL]C:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
13200 |
48.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.191 |
18 |
32 |
|
[CL]C:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13501 |
45.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.004 |
19 |
33 |
|
[MES]C:302 |
3 |
1 |
340 |
f |
C |
-x,y,-z+1 |
2_556 |
8 |
1 |
13200 |
39.8 |
0.8 |
0.326 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
[MES]A:302 |
3 |
1 |
339 |
f |
A |
-x,y,-z |
2_555 |
7 |
1 |
13501 |
38.0 |
0.8 |
0.317 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13501 |
37.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.120 |
36 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13346 |
37.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.120 |
37 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
13200 |
37.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.120 |
38 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
13131 |
37.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
37.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.120 |
22 |
39 |
|
B |
1 |
1 |
13346 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
13501 |
22.2 |
0.6 |
0.927 |
1 |
0 |
0 |
0.000 |
40 |
|
D |
2 |
1 |
13131 |
◊ |
C |
-x,y,-z+1 |
2_556 |
3 |
1 |
13200 |
16.1 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
Average: |
19.1 |
0.5 |
0.870 |
1 |
0 |
0 |
0.000 |
23 |
41 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
[M9Z]D:301 |
x,y,z |
1_555 |
5 |
1 |
678 |
22.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.074 |
42 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
[M9Z]C:301 |
x,y,z |
1_555 |
5 |
1 |
683 |
21.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.074 |
43 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
[M9Z]B:301 |
x,y,z |
1_555 |
5 |
1 |
676 |
20.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.074 |
44 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
[M9Z]A:301 |
x,y,z |
1_555 |
5 |
1 |
675 |
19.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
20.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
45 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
13346 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
|