## |
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 |
123 |
37 |
14363 |
◊ |
B |
x,y,z |
1_555 |
130 |
40 |
14790 |
1232.8 |
-20.4 |
0.192 |
6 |
0 |
0 |
0.109 |
2 |
|
D |
122 |
38 |
13846 |
◊ |
A |
x,y,z |
1_555 |
122 |
38 |
14050 |
1190.6 |
-20.2 |
0.161 |
6 |
1 |
0 |
0.109 |
Average: |
1211.7 |
-20.3 |
0.176 |
6 |
1 |
0 |
0.109 |
2 |
3 |
|
[HEC]A:803 |
43 |
1 |
844 |
f |
A |
x,y,z |
1_555 |
93 |
35 |
14050 |
625.5 |
-25.0 |
0.392 |
4 |
0 |
0 |
0.259 |
4 |
|
[HEC]B:402 |
43 |
1 |
843 |
f |
B |
x,y,z |
1_555 |
88 |
35 |
14790 |
623.1 |
-25.1 |
0.339 |
4 |
0 |
0 |
0.259 |
5 |
|
[HEC]C:402 |
43 |
1 |
843 |
f |
C |
x,y,z |
1_555 |
89 |
35 |
14363 |
621.0 |
-24.9 |
0.386 |
4 |
0 |
0 |
0.259 |
6 |
|
[HEC]D:402 |
43 |
1 |
841 |
f |
D |
x,y,z |
1_555 |
87 |
35 |
13846 |
617.8 |
-25.0 |
0.336 |
4 |
0 |
0 |
0.259 |
Average: |
621.9 |
-25.0 |
0.363 |
4 |
0 |
0 |
0.259 |
3 |
7 |
|
[HEC]A:802 |
43 |
1 |
844 |
f |
A |
x,y,z |
1_555 |
85 |
34 |
14050 |
619.5 |
-23.3 |
0.497 |
3 |
0 |
0 |
0.238 |
8 |
|
[HEC]D:401 |
43 |
1 |
844 |
f |
D |
x,y,z |
1_555 |
87 |
34 |
13846 |
618.8 |
-23.2 |
0.497 |
3 |
0 |
0 |
0.238 |
9 |
|
[HEC]C:401 |
43 |
1 |
843 |
f |
C |
x,y,z |
1_555 |
86 |
34 |
14363 |
616.6 |
-23.3 |
0.515 |
3 |
0 |
0 |
0.238 |
10 |
|
[HEC]B:401 |
43 |
1 |
844 |
f |
B |
x,y,z |
1_555 |
82 |
33 |
14790 |
616.3 |
-23.5 |
0.458 |
3 |
0 |
0 |
0.238 |
Average: |
617.8 |
-23.3 |
0.492 |
3 |
0 |
0 |
0.238 |
4 |
11 |
|
D |
63 |
19 |
13846 |
◊ |
C |
-x-1/2,-y+1,z-1/2 |
2_464 |
65 |
20 |
14363 |
563.4 |
-11.7 |
0.177 |
1 |
0 |
0 |
0.033 |
5 |
12 |
|
D |
60 |
16 |
13846 |
◊ |
C |
x,y,z |
1_555 |
54 |
18 |
14363 |
563.1 |
-9.3 |
0.236 |
2 |
0 |
0 |
0.049 |
13 |
|
B |
59 |
19 |
14790 |
◊ |
A |
x,y,z |
1_555 |
60 |
16 |
14050 |
541.2 |
-9.4 |
0.282 |
1 |
0 |
0 |
0.049 |
Average: |
552.2 |
-9.4 |
0.259 |
2 |
0 |
0 |
0.049 |
6 |
14 |
|
B |
35 |
11 |
14790 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
37 |
12 |
14363 |
299.4 |
-5.6 |
0.338 |
0 |
0 |
0 |
0.015 |
7 |
15 |
|
D |
24 |
9 |
13846 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
29 |
8 |
14790 |
223.7 |
-0.6 |
0.763 |
1 |
0 |
0 |
0.004 |
8 |
16 |
|
C |
17 |
8 |
14363 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
10 |
14050 |
139.5 |
-0.4 |
0.750 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
D |
17 |
8 |
13846 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
15 |
6 |
14790 |
122.0 |
-0.2 |
0.741 |
1 |
0 |
0 |
0.002 |
10 |
18 |
|
C |
14 |
5 |
14363 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
12 |
4 |
14050 |
103.2 |
2.5 |
0.970 |
0 |
6 |
0 |
0.000 |
11 |
19 |
|
B |
8 |
3 |
14790 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
10 |
4 |
14790 |
64.0 |
-1.2 |
0.445 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[CA]C:601 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
14363 |
44.1 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.108 |
21 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14790 |
44.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.108 |
22 |
|
[CA]D:701 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
13846 |
43.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.108 |
23 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
14050 |
43.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
43.6 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.108 |
13 |
24 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
14790 |
43.6 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.095 |
14 |
25 |
|
B |
7 |
3 |
14790 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
3 |
14363 |
41.6 |
-0.4 |
0.612 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[ZN]D:702 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
13846 |
41.1 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.196 |
27 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14050 |
41.1 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.196 |
28 |
|
[ZN]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
14363 |
40.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.196 |
29 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14790 |
39.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.196 |
Average: |
40.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.196 |
16 |
30 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14790 |
41.1 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.090 |
17 |
31 |
|
D |
6 |
3 |
13846 |
f |
[ZN]B:802 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
39.2 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.092 |
18 |
32 |
|
[ZN]B:802 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14790 |
38.1 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.186 |
33 |
|
[ZN]A:801 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
14050 |
34.8 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.186 |
34 |
|
C |
7 |
3 |
14363 |
c |
[ZN]A:801 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
98 |
34.8 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.186 |
Average: |
35.9 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.186 |
19 |
35 |
|
D |
4 |
1 |
13846 |
◊ |
A |
x-1/2,-y+3/2,-z-1 |
4_464 |
3 |
1 |
14050 |
33.9 |
-1.1 |
0.219 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
[HEC]B:401 |
3 |
1 |
844 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.062 |
21 |
37 |
|
D |
5 |
3 |
13846 |
◊ |
[ZN]B:504 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
98 |
24.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.028 |
22 |
38 |
|
[HEC]A:803 |
3 |
1 |
844 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.025 |
39 |
|
[HEC]B:402 |
3 |
1 |
843 |
f |
[CA]B:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.025 |
40 |
|
[HEC]C:402 |
3 |
1 |
843 |
f |
[CA]C:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
41 |
|
[HEC]D:402 |
3 |
1 |
841 |
f |
[CA]D:701 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
23 |
42 |
|
C |
2 |
2 |
14363 |
◊ |
[ZN]B:504 |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
98 |
11.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
43 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14050 |
11.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.039 |
44 |
|
[ZN]C:602 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13846 |
11.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.039 |
45 |
|
[ZN]D:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14363 |
7.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.039 |
46 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14790 |
7.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
9.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.039 |
25 |
47 |
|
D |
2 |
1 |
13846 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
14050 |
7.3 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
26 |
48 |
|
C |
1 |
1 |
14363 |
◊ |
[HEC]A:803 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
844 |
5.9 |
-0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
27 |
49 |
|
C |
1 |
1 |
14363 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
14790 |
3.7 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
28 |
50 |
|
C |
2 |
1 |
14363 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
13846 |
2.4 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
|