## |
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 |
|
[STI]B:1 |
37 |
1 |
796 |
f |
B |
x,y,z |
1_555 |
79 |
28 |
14118 |
573.8 |
-6.3 |
0.355 |
4 |
0 |
0 |
0.159 |
2 |
|
[STI]A:1 |
37 |
1 |
792 |
f |
A |
x,y,z |
1_555 |
78 |
29 |
13723 |
572.5 |
-6.4 |
0.333 |
4 |
0 |
0 |
0.159 |
Average: |
573.1 |
-6.4 |
0.344 |
4 |
0 |
0 |
0.159 |
2 |
3 |
|
B |
50 |
13 |
14118 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
13723 |
490.9 |
-3.4 |
0.426 |
8 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
49 |
14 |
13723 |
◊ |
B |
x,y-1/2,z-1/2 |
5_544 |
46 |
14 |
14118 |
453.9 |
-1.9 |
0.578 |
6 |
0 |
0 |
0.045 |
4 |
5 |
|
A |
46 |
14 |
13723 |
◊ |
A |
-x+1/2,y,-z+1/2 |
11_555 |
48 |
14 |
13723 |
431.9 |
-5.1 |
0.275 |
4 |
0 |
0 |
0.033 |
5 |
6 |
|
B |
35 |
10 |
14118 |
◊ |
B |
-x,-y+1,z |
2_565 |
36 |
10 |
14118 |
326.9 |
-2.8 |
0.432 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
36 |
8 |
14118 |
◊ |
B |
-x+1/2,y,-z+1/2 |
11_555 |
36 |
8 |
14118 |
288.6 |
-0.6 |
0.676 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
37 |
7 |
13723 |
◊ |
A |
-x,-y+1,z |
2_565 |
37 |
7 |
13723 |
286.2 |
-0.7 |
0.653 |
0 |
0 |
0 |
0.000 |
Average: |
287.4 |
-0.6 |
0.664 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[MS9]B:516 |
12 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
14118 |
230.9 |
-6.1 |
0.362 |
1 |
0 |
0 |
0.129 |
10 |
|
[MS9]A:516 |
12 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
13723 |
230.5 |
-6.2 |
0.336 |
1 |
0 |
0 |
0.129 |
Average: |
230.7 |
-6.2 |
0.349 |
1 |
0 |
0 |
0.129 |
8 |
11 |
|
B |
18 |
5 |
14118 |
◊ |
B |
-x,y,-z+1 |
3_556 |
18 |
5 |
14118 |
194.6 |
1.9 |
0.873 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
21 |
7 |
14118 |
◊ |
A |
-x,-y+1,z |
2_565 |
21 |
6 |
13723 |
186.0 |
-0.1 |
0.586 |
0 |
1 |
0 |
0.000 |
13 |
|
B |
9 |
3 |
14118 |
◊ |
A |
-x+1/2,y,-z+1/2 |
11_555 |
8 |
3 |
13723 |
67.3 |
0.5 |
0.609 |
0 |
0 |
0 |
0.000 |
Average: |
126.7 |
0.2 |
0.597 |
0 |
1 |
0 |
0.000 |
10 |
14 |
|
A |
10 |
5 |
13723 |
◊ |
B |
-x,y-1/2,-z+1/2 |
7_545 |
17 |
8 |
14118 |
104.3 |
1.0 |
0.615 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
B |
8 |
3 |
14118 |
◊ |
B |
-x+1/2,-y+3/2,z |
14_565 |
8 |
3 |
14118 |
78.6 |
0.2 |
0.704 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
A |
6 |
2 |
13723 |
◊ |
A |
-x+1/2,-y+1/2,z |
14_555 |
6 |
2 |
13723 |
74.6 |
2.8 |
0.955 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[CL]A:5 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
13723 |
69.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.195 |
18 |
|
[CL]B:6 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14118 |
66.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
67.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.195 |
14 |
19 |
|
[CL]A:4 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13723 |
67.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.096 |
15 |
20 |
|
[CL]B:3 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14118 |
58.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.152 |
21 |
|
[CL]A:2 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13723 |
57.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.152 |
Average: |
57.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.152 |
16 |
22 |
|
[CL]A:517 |
1 |
1 |
125 |
◊ |
B |
x,y-1/2,z-1/2 |
5_544 |
7 |
2 |
14118 |
45.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.117 |
23 |
|
[CL]A:517 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13723 |
44.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
45.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.117 |
17 |
24 |
|
[CL]A:2 |
1 |
1 |
125 |
f |
[STI]A:1 |
x,y,z |
1_555 |
4 |
1 |
792 |
29.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
25 |
|
[CL]B:3 |
1 |
1 |
125 |
f |
[STI]B:1 |
x,y,z |
1_555 |
4 |
1 |
796 |
29.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
29.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.071 |
18 |
26 |
|
[CL]A:5 |
1 |
1 |
125 |
f |
[STI]A:1 |
x,y,z |
1_555 |
2 |
1 |
792 |
26.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
27 |
|
[CL]B:6 |
1 |
1 |
125 |
f |
[STI]B:1 |
x,y,z |
1_555 |
2 |
1 |
796 |
25.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
25.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
19 |
28 |
|
A |
3 |
2 |
13723 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
10_564 |
4 |
2 |
14118 |
23.0 |
0.5 |
0.796 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
A |
2 |
2 |
13723 |
◊ |
A |
-x,y,-z |
3_555 |
2 |
2 |
13723 |
18.8 |
0.4 |
0.828 |
0 |
0 |
0 |
0.000 |
|