| ## |
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 |
169 |
47 |
14867 |
◊ |
B |
x,y,z |
1_555 |
178 |
46 |
14873 |
1680.8 |
-8.1 |
0.392 |
30 |
13 |
0 |
0.220 |
2 |
|
C |
172 |
48 |
15047 |
◊ |
A |
x,y,z |
1_555 |
173 |
48 |
15041 |
1655.4 |
-9.2 |
0.354 |
29 |
14 |
0 |
0.220 |
| Average: |
1668.1 |
-8.7 |
0.373 |
30 |
14 |
0 |
0.220 |
| 2 |
3 |
|
D |
169 |
46 |
14867 |
◊ |
C |
x,y,z |
1_555 |
173 |
47 |
15047 |
1620.0 |
-21.0 |
0.030 |
23 |
6 |
0 |
0.255 |
4 |
|
B |
171 |
47 |
14873 |
◊ |
A |
x,y,z |
1_555 |
166 |
46 |
15041 |
1593.8 |
-20.4 |
0.027 |
23 |
7 |
0 |
0.255 |
| Average: |
1606.9 |
-20.7 |
0.029 |
23 |
7 |
0 |
0.255 |
| 3 |
5 |
|
C |
122 |
27 |
15047 |
◊ |
B |
x,y,z |
1_555 |
124 |
28 |
14873 |
1214.8 |
-22.9 |
0.003 |
9 |
0 |
0 |
0.237 |
6 |
|
D |
125 |
27 |
14867 |
◊ |
A |
x,y,z |
1_555 |
121 |
28 |
15041 |
1191.5 |
-21.9 |
0.005 |
12 |
0 |
0 |
0.237 |
| Average: |
1203.2 |
-22.4 |
0.004 |
11 |
0 |
0 |
0.237 |
| 4 |
7 |
|
[NAD]B:1450 |
44 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
100 |
35 |
14873 |
563.8 |
-6.9 |
0.450 |
9 |
0 |
0 |
0.213 |
8 |
|
[NAD]C:750 |
44 |
1 |
818 |
f |
C |
x,y,z |
1_555 |
91 |
35 |
15047 |
560.9 |
-6.8 |
0.457 |
11 |
0 |
0 |
0.213 |
9 |
|
[NAD]A:650 |
43 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
99 |
35 |
15041 |
556.5 |
-6.8 |
0.466 |
11 |
0 |
0 |
0.213 |
10 |
|
[NAD]D:550 |
44 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
90 |
34 |
14867 |
547.7 |
-6.7 |
0.481 |
11 |
0 |
0 |
0.213 |
| Average: |
557.2 |
-6.8 |
0.463 |
11 |
0 |
0 |
0.213 |
| 5 |
11 |
|
D |
46 |
12 |
14867 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
12 |
14867 |
365.9 |
-0.7 |
0.539 |
4 |
0 |
0 |
0.000 |
| 6 |
12 |
|
A |
25 |
6 |
15041 |
x |
A |
-x,y-1/2,-z |
2_545 |
32 |
12 |
15041 |
276.3 |
1.1 |
0.720 |
2 |
1 |
0 |
0.000 |
| 7 |
13 |
|
B |
30 |
8 |
14873 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
6 |
14867 |
269.9 |
-0.4 |
0.526 |
1 |
1 |
0 |
0.000 |
| 8 |
14 |
|
[TCL]A:705 |
15 |
1 |
442 |
f |
A |
x,y,z |
1_555 |
49 |
20 |
15041 |
259.4 |
-16.0 |
0.340 |
1 |
0 |
0 |
0.298 |
15 |
|
[TCL]D:707 |
15 |
1 |
445 |
f |
D |
x,y,z |
1_555 |
50 |
20 |
14867 |
258.1 |
-16.0 |
0.369 |
1 |
0 |
0 |
0.298 |
16 |
|
[TCL]B:706 |
15 |
1 |
445 |
f |
B |
x,y,z |
1_555 |
47 |
21 |
14873 |
256.9 |
-15.8 |
0.342 |
1 |
0 |
0 |
0.298 |
17 |
|
[TCL]C:708 |
16 |
1 |
443 |
f |
C |
x,y,z |
1_555 |
47 |
19 |
15047 |
255.9 |
-15.7 |
0.382 |
1 |
0 |
0 |
0.298 |
| Average: |
257.6 |
-15.9 |
0.358 |
1 |
0 |
0 |
0.298 |
| 9 |
18 |
|
D |
27 |
9 |
14867 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
8 |
15047 |
221.0 |
0.6 |
0.713 |
4 |
0 |
0 |
0.005 |
| 10 |
19 |
|
B |
12 |
5 |
14873 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
24 |
8 |
14873 |
159.4 |
-1.5 |
0.191 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[TCL]C:708 |
12 |
1 |
443 |
f |
[NAD]C:750 |
x,y,z |
1_555 |
20 |
1 |
818 |
115.2 |
-6.1 |
0.709 |
1 |
0 |
0 |
0.119 |
21 |
|
[TCL]B:706 |
12 |
1 |
445 |
f |
[NAD]B:1450 |
x,y,z |
1_555 |
18 |
1 |
819 |
114.9 |
-6.2 |
0.689 |
1 |
0 |
0 |
0.119 |
22 |
|
[TCL]A:705 |
12 |
1 |
442 |
f |
[NAD]A:650 |
x,y,z |
1_555 |
18 |
1 |
812 |
113.6 |
-6.0 |
0.686 |
1 |
0 |
0 |
0.119 |
23 |
|
[TCL]D:707 |
12 |
1 |
445 |
f |
[NAD]D:550 |
x,y,z |
1_555 |
17 |
1 |
816 |
113.2 |
-5.9 |
0.680 |
1 |
0 |
0 |
0.119 |
| Average: |
114.2 |
-6.1 |
0.691 |
1 |
0 |
0 |
0.119 |
| 12 |
24 |
|
[SO4]D:713 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
14867 |
89.5 |
-13.0 |
0.756 |
0 |
0 |
0 |
0.108 |
| 13 |
25 |
|
[CL]D:709 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
15047 |
62.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.149 |
26 |
|
[CL]C:712 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
14867 |
62.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.149 |
27 |
|
[CL]B:711 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
15041 |
61.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.149 |
28 |
|
[CL]A:710 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
14873 |
61.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.149 |
| Average: |
62.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.149 |
| 14 |
29 |
|
A |
9 |
4 |
15041 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
9 |
4 |
15047 |
58.4 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[CL]C:712 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
15047 |
33.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.062 |
31 |
|
[CL]D:709 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
14867 |
33.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.062 |
32 |
|
[CL]B:711 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14873 |
32.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.062 |
33 |
|
[CL]A:710 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15041 |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
32.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| 16 |
34 |
|
A |
5 |
3 |
15041 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
14873 |
24.9 |
0.5 |
0.706 |
0 |
0 |
0 |
0.000 |
| 17 |
35 |
|
C |
5 |
3 |
15047 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
15047 |
22.5 |
-0.3 |
0.423 |
0 |
0 |
0 |
0.000 |
| 18 |
36 |
|
[CL]D:709 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14873 |
11.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.017 |
37 |
|
[CL]A:710 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15047 |
11.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.017 |
38 |
|
[CL]C:712 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15041 |
9.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
|
[CL]B:711 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14867 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
10.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| 19 |
40 |
|
A |
1 |
1 |
15041 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15047 |
3.4 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
| 20 |
41 |
|
[SO4]D:713 |
1 |
1 |
185 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
15047 |
1.1 |
-0.1 |
0.876 |
0 |
0 |
0 |
0.000 |
|