## |
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 |
82 |
24 |
45359 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
87 |
23 |
45981 |
881.6 |
-14.6 |
0.080 |
4 |
1 |
0 |
0.051 |
2 |
2 |
|
[TG1]A:1000 |
41 |
1 |
875 |
f |
A |
x,y,z |
1_555 |
77 |
24 |
45359 |
626.8 |
-9.2 |
0.090 |
0 |
0 |
0 |
0.028 |
3 |
3 |
|
A |
66 |
22 |
45359 |
◊ |
B |
x,y-1,z |
1_545 |
56 |
16 |
45981 |
599.0 |
-0.4 |
0.820 |
8 |
1 |
0 |
0.000 |
4 |
4 |
|
[TG1]B:1000 |
41 |
1 |
828 |
f |
B |
x,y,z |
1_555 |
81 |
24 |
45981 |
592.9 |
-8.5 |
0.184 |
0 |
0 |
0 |
0.026 |
5 |
5 |
|
[128]B:1002 |
44 |
1 |
792 |
f |
B |
x,y,z |
1_555 |
77 |
25 |
45981 |
579.3 |
0.6 |
0.668 |
13 |
0 |
0 |
0.024 |
6 |
|
[128]A:1002 |
44 |
1 |
776 |
f |
A |
x,y,z |
1_555 |
76 |
28 |
45359 |
572.0 |
1.6 |
0.693 |
9 |
0 |
0 |
0.024 |
Average: |
575.7 |
1.1 |
0.681 |
11 |
0 |
0 |
0.024 |
6 |
7 |
|
A |
61 |
18 |
45359 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
55 |
18 |
45981 |
553.7 |
-0.9 |
0.730 |
5 |
1 |
0 |
0.000 |
7 |
8 |
|
B |
42 |
16 |
45981 |
◊ |
A |
x,y,z |
1_555 |
43 |
15 |
45359 |
381.5 |
-0.6 |
0.762 |
2 |
1 |
0 |
0.000 |
8 |
9 |
|
A |
37 |
13 |
45359 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
39 |
11 |
45359 |
326.0 |
-0.9 |
0.612 |
3 |
2 |
0 |
0.000 |
9 |
10 |
|
A |
16 |
6 |
45359 |
x |
A |
-x,y-1/2,-z |
2_545 |
21 |
7 |
45359 |
159.8 |
0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
15 |
7 |
45981 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
45981 |
132.7 |
-0.4 |
0.650 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[K]A:1008 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
45359 |
115.3 |
-105.9 |
0.000 |
0 |
0 |
0 |
0.658 |
13 |
|
[K]B:1008 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
45981 |
111.1 |
-107.2 |
0.000 |
0 |
0 |
0 |
0.658 |
Average: |
113.2 |
-106.6 |
0.000 |
0 |
0 |
0 |
0.658 |
12 |
14 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
14 |
7 |
45359 |
101.6 |
-1.5 |
0.702 |
0 |
0 |
0 |
0.005 |
13 |
15 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
16 |
8 |
45981 |
100.1 |
-1.5 |
0.712 |
1 |
0 |
0 |
0.006 |
14 |
16 |
|
[VN4]A:1001 |
4 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
45359 |
97.3 |
-3.7 |
0.662 |
0 |
0 |
0 |
0.023 |
17 |
|
[VN4]B:1001 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
45981 |
94.0 |
-3.7 |
0.669 |
0 |
0 |
0 |
0.023 |
Average: |
95.6 |
-3.7 |
0.665 |
0 |
0 |
0 |
0.023 |
15 |
18 |
|
[CL]A:1009 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
45359 |
63.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.060 |
19 |
|
[CL]B:1009 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
45981 |
61.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
62.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.060 |
16 |
20 |
|
[MG]B:1004 |
1 |
1 |
98 |
f |
[128]B:1002 |
x,y,z |
1_555 |
8 |
1 |
792 |
43.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.036 |
21 |
|
[MG]A:1004 |
1 |
1 |
98 |
f |
[128]A:1002 |
x,y,z |
1_555 |
9 |
1 |
776 |
43.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
43.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.036 |
17 |
22 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
45359 |
42.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.044 |
23 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
45981 |
42.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
42.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.044 |
18 |
24 |
|
[MG]A:1004 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
45359 |
40.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.023 |
25 |
|
[MG]B:1004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
45981 |
38.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
39.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.023 |
19 |
26 |
|
[MG]B:1003 |
1 |
1 |
98 |
f |
[VN4]B:1001 |
x,y,z |
1_555 |
2 |
1 |
196 |
26.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
27 |
|
[MG]A:1003 |
1 |
1 |
98 |
f |
[VN4]A:1001 |
x,y,z |
1_555 |
2 |
1 |
196 |
25.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.018 |
|