## |
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 |
89 |
21 |
15752 |
◊ |
C |
-x-1/2,-y-1/2,z |
6_445 |
94 |
30 |
15603 |
918.4 |
6.9 |
0.894 |
14 |
4 |
0 |
0.061 |
2 |
|
B |
83 |
20 |
15445 |
◊ |
A |
x,y,z |
1_555 |
97 |
25 |
15420 |
853.4 |
2.5 |
0.780 |
10 |
7 |
0 |
0.061 |
3 |
|
D |
83 |
25 |
15752 |
◊ |
C |
x,y,z |
1_555 |
75 |
20 |
15603 |
732.3 |
2.2 |
0.726 |
12 |
1 |
0 |
0.061 |
4 |
|
B |
64 |
21 |
15445 |
◊ |
A |
-x-1/2,-y-1/2,z |
6_445 |
59 |
17 |
15420 |
588.0 |
0.6 |
0.650 |
9 |
0 |
0 |
0.061 |
Average: |
773.0 |
3.1 |
0.762 |
11 |
3 |
0 |
0.061 |
2 |
5 |
|
C |
92 |
31 |
15603 |
◊ |
A |
x,y,z |
1_555 |
95 |
28 |
15420 |
843.6 |
-13.9 |
0.027 |
5 |
0 |
0 |
0.516 |
6 |
|
D |
82 |
27 |
15752 |
◊ |
B |
x,y,z |
1_555 |
80 |
28 |
15445 |
752.4 |
-13.8 |
0.017 |
4 |
0 |
0 |
0.516 |
Average: |
798.0 |
-13.9 |
0.022 |
5 |
0 |
0 |
0.516 |
3 |
7 |
|
B |
70 |
20 |
15445 |
◊ |
B |
x,-y,-z+1 |
4_556 |
70 |
20 |
15445 |
641.3 |
-2.0 |
0.490 |
12 |
0 |
0 |
0.000 |
8 |
|
A |
68 |
18 |
15420 |
◊ |
A |
-x,y,-z+1 |
3_556 |
67 |
18 |
15420 |
608.6 |
-1.1 |
0.572 |
10 |
0 |
0 |
0.000 |
Average: |
625.0 |
-1.5 |
0.531 |
11 |
0 |
0 |
0.000 |
4 |
9 |
|
D |
55 |
16 |
15752 |
◊ |
A |
-x-1/2,-y-1/2,z |
6_445 |
55 |
15 |
15420 |
521.9 |
-1.1 |
0.526 |
8 |
1 |
0 |
0.080 |
10 |
|
C |
53 |
14 |
15603 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
15445 |
473.2 |
-0.9 |
0.505 |
7 |
0 |
0 |
0.080 |
Average: |
497.6 |
-1.0 |
0.515 |
8 |
1 |
0 |
0.080 |
5 |
11 |
|
[1M3]A:1204 |
35 |
1 |
750 |
◊ |
A |
x,y,z |
1_555 |
71 |
28 |
15420 |
502.4 |
4.2 |
0.453 |
1 |
0 |
0 |
0.000 |
12 |
|
[1M3]C:1201 |
35 |
1 |
745 |
◊ |
C |
x,y,z |
1_555 |
71 |
28 |
15603 |
493.6 |
4.0 |
0.459 |
1 |
0 |
0 |
0.000 |
13 |
|
[1M3]D:1203 |
35 |
1 |
755 |
◊ |
D |
x,y,z |
1_555 |
69 |
29 |
15752 |
487.1 |
4.9 |
0.466 |
2 |
0 |
0 |
0.000 |
14 |
|
[1M3]B:1203 |
34 |
1 |
746 |
◊ |
B |
x,y,z |
1_555 |
68 |
27 |
15445 |
469.3 |
3.7 |
0.419 |
1 |
0 |
0 |
0.000 |
Average: |
488.1 |
4.2 |
0.449 |
1 |
0 |
0 |
0.000 |
6 |
15 |
|
C |
47 |
11 |
15603 |
◊ |
C |
-x,y,-z |
3_555 |
47 |
11 |
15603 |
488.9 |
-1.7 |
0.444 |
6 |
4 |
0 |
0.000 |
16 |
|
D |
46 |
11 |
15752 |
◊ |
D |
x,-y,-z |
4_555 |
46 |
11 |
15752 |
413.9 |
-1.6 |
0.450 |
2 |
6 |
0 |
0.000 |
Average: |
451.4 |
-1.7 |
0.447 |
4 |
5 |
0 |
0.000 |
7 |
17 |
|
[1M3]A:1203 |
26 |
1 |
683 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
15420 |
342.0 |
0.8 |
0.367 |
4 |
0 |
0 |
0.152 |
18 |
|
[1M3]C:1202 |
26 |
1 |
675 |
◊ |
C |
x,y,z |
1_555 |
38 |
14 |
15603 |
320.0 |
-1.7 |
0.206 |
4 |
0 |
0 |
0.152 |
19 |
|
[1M3]D:1202 |
26 |
1 |
673 |
◊ |
D |
x,y,z |
1_555 |
36 |
14 |
15752 |
318.3 |
-1.4 |
0.189 |
4 |
0 |
0 |
0.152 |
20 |
|
[1M3]B:1202 |
25 |
1 |
683 |
◊ |
B |
x,y,z |
1_555 |
37 |
14 |
15445 |
313.8 |
-2.1 |
0.213 |
3 |
0 |
0 |
0.152 |
Average: |
323.5 |
-1.1 |
0.244 |
4 |
0 |
0 |
0.152 |
8 |
21 |
|
[1M3]A:1203 |
24 |
1 |
683 |
f |
C |
x,y,z |
1_555 |
24 |
7 |
15603 |
206.4 |
0.3 |
0.189 |
0 |
0 |
0 |
0.000 |
22 |
|
[1M3]B:1202 |
24 |
1 |
683 |
f |
D |
x,y,z |
1_555 |
24 |
7 |
15752 |
202.9 |
0.4 |
0.202 |
0 |
0 |
0 |
0.000 |
23 |
|
[1M3]C:1202 |
24 |
1 |
675 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
15420 |
194.5 |
0.3 |
0.155 |
0 |
0 |
0 |
0.000 |
24 |
|
[1M3]D:1202 |
24 |
1 |
673 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
15445 |
191.8 |
0.5 |
0.166 |
0 |
0 |
0 |
0.000 |
Average: |
198.9 |
0.4 |
0.178 |
0 |
0 |
0 |
0.000 |
9 |
25 |
|
[1M3]D:1203 |
8 |
1 |
755 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
15603 |
84.3 |
0.3 |
0.435 |
0 |
0 |
0 |
0.000 |
26 |
|
[1M3]B:1203 |
6 |
1 |
746 |
f |
A |
-x-1/2,-y-1/2,z |
6_445 |
6 |
1 |
15420 |
59.7 |
0.5 |
0.532 |
0 |
0 |
0 |
0.000 |
Average: |
72.0 |
0.4 |
0.484 |
0 |
0 |
0 |
0.000 |
10 |
27 |
|
[1M3]A:1204 |
7 |
1 |
750 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
15445 |
83.1 |
0.0 |
0.413 |
0 |
0 |
0 |
0.000 |
28 |
|
[1M3]C:1201 |
6 |
1 |
745 |
f |
D |
-x-1/2,-y-1/2,z |
6_445 |
6 |
1 |
15752 |
58.4 |
0.7 |
0.563 |
0 |
0 |
0 |
0.000 |
Average: |
70.8 |
0.4 |
0.488 |
0 |
0 |
0 |
0.000 |
11 |
29 |
|
[CL]B:1201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
15445 |
41.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.184 |
30 |
|
[CL]A:1201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15420 |
40.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.184 |
31 |
|
[CL]D:1201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
15752 |
38.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
40.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.184 |
12 |
32 |
|
[1M3]C:1202 |
5 |
1 |
675 |
f |
[CL]A:1201 |
x,y,z |
1_555 |
1 |
1 |
125 |
40.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.182 |
33 |
|
[1M3]B:1202 |
4 |
1 |
683 |
f |
[CL]D:1201 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.182 |
34 |
|
[1M3]D:1202 |
5 |
1 |
673 |
f |
[CL]B:1201 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.182 |
Average: |
37.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.182 |
13 |
35 |
|
[ZN]A:1202 |
1 |
1 |
98 |
◊ |
D |
-x-1/2,-y-1/2,z |
6_445 |
6 |
3 |
15752 |
36.3 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.790 |
36 |
|
[ZN]B:1204 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15603 |
35.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.790 |
37 |
|
[ZN]B:1204 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
15445 |
35.6 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.790 |
38 |
|
[ZN]A:1202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15420 |
35.4 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.790 |
Average: |
35.7 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.790 |
14 |
39 |
|
[CL]D:1201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15445 |
27.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.157 |
40 |
|
[CL]B:1201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15752 |
27.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.157 |
41 |
|
[CL]A:1201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
15603 |
25.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.157 |
Average: |
26.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.157 |
|