| ## |
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 |
239 |
60 |
15229 |
◊ |
C |
x,y,z |
1_555 |
245 |
62 |
14328 |
2295.5 |
-14.1 |
0.277 |
31 |
7 |
0 |
0.381 |
2 |
|
B |
246 |
62 |
15213 |
◊ |
A |
x,y,z |
1_555 |
237 |
58 |
15481 |
2264.8 |
-13.5 |
0.265 |
28 |
8 |
0 |
0.381 |
| Average: |
2280.1 |
-13.8 |
0.271 |
30 |
8 |
0 |
0.381 |
| 2 |
3 |
|
A |
73 |
18 |
15481 |
◊ |
C |
x,y-1,z |
1_545 |
65 |
18 |
14328 |
612.1 |
0.4 |
0.722 |
9 |
1 |
0 |
0.002 |
| 3 |
4 |
|
B |
57 |
19 |
15213 |
◊ |
D |
x,y-1,z |
1_545 |
57 |
19 |
15229 |
575.6 |
-4.3 |
0.280 |
7 |
0 |
0 |
0.004 |
| 4 |
5 |
|
D |
68 |
14 |
15229 |
◊ |
B |
x,y,z |
1_555 |
70 |
14 |
15213 |
566.5 |
-0.8 |
0.585 |
7 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
56 |
19 |
15213 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
63 |
20 |
14328 |
516.8 |
-4.7 |
0.317 |
2 |
0 |
0 |
0.000 |
7 |
|
A |
55 |
16 |
15481 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
54 |
17 |
15229 |
490.5 |
-3.2 |
0.390 |
4 |
1 |
0 |
0.000 |
| Average: |
503.6 |
-3.9 |
0.354 |
3 |
1 |
0 |
0.000 |
| 6 |
8 |
|
[THF]B:401 |
34 |
1 |
687 |
f |
B |
x,y,z |
1_555 |
67 |
29 |
15213 |
477.7 |
-1.6 |
0.203 |
4 |
0 |
0 |
0.044 |
| 7 |
9 |
|
A |
48 |
13 |
15481 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
13 |
15213 |
426.2 |
-0.2 |
0.629 |
3 |
3 |
0 |
0.000 |
| 8 |
10 |
|
[SS7]D:402 |
27 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
60 |
23 |
15229 |
398.6 |
-0.6 |
0.252 |
0 |
0 |
0 |
0.008 |
| 9 |
11 |
|
C |
40 |
14 |
14328 |
◊ |
D |
x-1,y,z |
1_455 |
35 |
11 |
15229 |
307.0 |
1.0 |
0.752 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
25 |
8 |
15481 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
23 |
8 |
15229 |
209.7 |
1.0 |
0.696 |
3 |
0 |
0 |
0.000 |
13 |
|
B |
24 |
10 |
15213 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
24 |
7 |
14328 |
184.4 |
-0.5 |
0.522 |
3 |
0 |
0 |
0.000 |
| Average: |
197.0 |
0.3 |
0.609 |
3 |
0 |
0 |
0.000 |
| 11 |
14 |
|
B |
12 |
4 |
15213 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
4 |
14328 |
117.0 |
-1.0 |
0.424 |
1 |
0 |
0 |
0.002 |
15 |
|
A |
12 |
4 |
15481 |
◊ |
D |
x,y-1,z |
1_545 |
11 |
4 |
15229 |
114.2 |
-0.9 |
0.416 |
1 |
0 |
0 |
0.002 |
| Average: |
115.6 |
-1.0 |
0.420 |
1 |
0 |
0 |
0.002 |
| 12 |
16 |
|
[EDO]C:402 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
14328 |
92.6 |
2.0 |
0.261 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15213 |
92.4 |
-11.4 |
0.860 |
5 |
0 |
0 |
0.176 |
| 14 |
18 |
|
[SO4]D:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
15229 |
90.9 |
-12.0 |
0.822 |
6 |
0 |
0 |
0.194 |
| 15 |
19 |
|
[SO4]A:402 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
15213 |
85.4 |
-10.8 |
0.881 |
4 |
0 |
0 |
0.162 |
| 16 |
20 |
|
[SO4]C:401 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
12 |
2 |
15229 |
80.7 |
-9.5 |
0.882 |
4 |
0 |
0 |
0.149 |
| 17 |
21 |
|
[SO4]A:401 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
15481 |
77.9 |
-8.1 |
0.874 |
5 |
0 |
0 |
0.133 |
| 18 |
22 |
|
[SO4]D:401 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
14328 |
77.5 |
-7.9 |
0.900 |
6 |
0 |
0 |
0.139 |
| 19 |
23 |
|
[EDO]D:403 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
15229 |
77.2 |
2.1 |
0.446 |
2 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[EDO]D:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
15213 |
76.4 |
2.1 |
0.450 |
2 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[SO4]C:401 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
14328 |
71.0 |
-9.8 |
0.857 |
4 |
0 |
0 |
0.152 |
| 22 |
26 |
|
[SO4]A:402 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15481 |
64.3 |
-9.0 |
0.844 |
3 |
0 |
0 |
0.134 |
| 23 |
27 |
|
D |
3 |
2 |
15229 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
15481 |
19.3 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
1 |
1 |
14328 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15213 |
0.3 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| Average: |
9.8 |
0.2 |
0.696 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
A |
2 |
2 |
15481 |
◊ |
D |
x-1,y-1,z |
1_445 |
5 |
2 |
15229 |
12.6 |
0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
A |
2 |
2 |
15481 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
3 |
3 |
15213 |
9.9 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[THF]B:401 |
1 |
1 |
687 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15481 |
5.6 |
0.3 |
0.682 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[THF]B:401 |
2 |
1 |
687 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.6 |
-0.2 |
0.670 |
0 |
0 |
0 |
0.003 |
| 28 |
33 |
|
[SS7]D:402 |
1 |
1 |
540 |
f |
[SO4]D:401 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.5 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|