## |
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 |
195 |
57 |
12704 |
◊ |
B |
x,y,z |
1_555 |
213 |
62 |
11380 |
1892.7 |
-26.6 |
0.043 |
21 |
5 |
0 |
0.755 |
2 |
|
H |
174 |
49 |
11742 |
◊ |
L |
x,y,z |
1_555 |
189 |
52 |
11117 |
1614.1 |
-23.3 |
0.038 |
14 |
2 |
0 |
0.755 |
Average: |
1753.4 |
-25.0 |
0.040 |
18 |
4 |
0 |
0.755 |
2 |
3 |
|
G |
133 |
35 |
7022 |
◊ |
C |
x,y,z |
1_555 |
138 |
34 |
6795 |
1280.7 |
-22.1 |
0.088 |
15 |
2 |
0 |
1.000 |
3 |
4 |
|
G |
76 |
18 |
7022 |
◊ |
A |
x,y,z |
1_555 |
91 |
22 |
12704 |
760.5 |
-5.3 |
0.522 |
16 |
0 |
0 |
0.248 |
5 |
|
C |
80 |
19 |
6795 |
◊ |
H |
x,y,z |
1_555 |
88 |
22 |
11742 |
759.5 |
-4.7 |
0.564 |
16 |
1 |
0 |
0.248 |
Average: |
760.0 |
-5.0 |
0.543 |
16 |
1 |
0 |
0.248 |
4 |
6 |
|
H |
56 |
20 |
11742 |
◊ |
A |
x-1,y,z |
1_455 |
58 |
21 |
12704 |
507.2 |
3.6 |
0.923 |
8 |
6 |
0 |
0.000 |
5 |
7 |
|
G |
45 |
12 |
7022 |
◊ |
A |
x-1,y,z |
1_455 |
40 |
14 |
12704 |
340.5 |
0.4 |
0.798 |
8 |
4 |
0 |
0.051 |
8 |
|
H |
39 |
14 |
11742 |
◊ |
C |
x-1,y,z |
1_455 |
32 |
11 |
6795 |
298.4 |
0.5 |
0.721 |
6 |
0 |
0 |
0.051 |
Average: |
319.5 |
0.4 |
0.759 |
7 |
2 |
0 |
0.051 |
6 |
9 |
|
H |
29 |
11 |
11742 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
28 |
10 |
11380 |
296.3 |
2.1 |
0.849 |
8 |
1 |
0 |
0.000 |
7 |
10 |
|
H |
30 |
14 |
11742 |
◊ |
L |
-x-1,y-1/2,-z+2 |
2_447 |
28 |
11 |
11117 |
266.6 |
-1.4 |
0.496 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
L |
32 |
16 |
11117 |
◊ |
C |
-x-1,y-1/2,-z+2 |
2_447 |
25 |
7 |
6795 |
242.1 |
-1.6 |
0.472 |
1 |
2 |
0 |
0.000 |
9 |
12 |
|
L |
25 |
9 |
11117 |
◊ |
A |
x-2,y,z-1 |
1_354 |
24 |
6 |
12704 |
204.1 |
-0.3 |
0.631 |
7 |
2 |
0 |
0.000 |
10 |
13 |
|
L |
16 |
5 |
11117 |
◊ |
B |
-x,y-1/2,-z+3 |
2_548 |
18 |
5 |
11380 |
150.9 |
0.3 |
0.662 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[MES]H:302 |
12 |
1 |
336 |
◊ |
H |
x,y,z |
1_555 |
25 |
7 |
11742 |
149.1 |
4.4 |
0.158 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[MES]H:301 |
9 |
1 |
338 |
◊ |
G |
x,y,z |
1_555 |
24 |
5 |
7022 |
123.3 |
3.4 |
0.297 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
G |
11 |
2 |
7022 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
11380 |
98.4 |
-0.8 |
0.365 |
0 |
0 |
0 |
0.025 |
17 |
|
C |
10 |
2 |
6795 |
◊ |
L |
x,y,z |
1_555 |
10 |
5 |
11117 |
95.6 |
-0.8 |
0.379 |
1 |
0 |
0 |
0.025 |
Average: |
97.0 |
-0.8 |
0.372 |
1 |
0 |
0 |
0.025 |
14 |
18 |
|
G |
7 |
2 |
7022 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
11 |
3 |
11380 |
93.7 |
1.2 |
0.809 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[MES]H:302 |
9 |
1 |
336 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
5 |
12704 |
93.5 |
1.9 |
0.051 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[MES]H:301 |
9 |
1 |
338 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
6 |
12704 |
92.9 |
2.1 |
0.047 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[SO4]L:301 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
11 |
4 |
11117 |
92.2 |
-10.6 |
0.939 |
4 |
0 |
0 |
0.293 |
18 |
22 |
|
C |
10 |
3 |
6795 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
12704 |
90.2 |
-1.3 |
0.364 |
0 |
0 |
0 |
0.017 |
23 |
|
G |
8 |
2 |
7022 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
11742 |
71.5 |
-1.1 |
0.339 |
0 |
0 |
0 |
0.017 |
Average: |
80.9 |
-1.2 |
0.351 |
0 |
0 |
0 |
0.017 |
19 |
24 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11380 |
85.5 |
-10.6 |
0.892 |
3 |
0 |
0 |
0.245 |
20 |
25 |
|
H |
5 |
2 |
11742 |
x |
H |
-x-1,y-1/2,-z+2 |
2_447 |
9 |
4 |
11742 |
66.1 |
0.7 |
0.798 |
4 |
0 |
0 |
0.000 |
21 |
26 |
|
L |
5 |
1 |
11117 |
x |
L |
-x-1,y-1/2,-z+2 |
2_447 |
8 |
3 |
11117 |
62.1 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[MES]H:301 |
6 |
1 |
338 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
11742 |
44.3 |
0.9 |
0.075 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[MES]H:302 |
2 |
1 |
336 |
f |
[MES]H:301 |
x,y,z |
1_555 |
6 |
1 |
338 |
38.4 |
1.8 |
0.030 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
L |
5 |
2 |
11117 |
◊ |
B |
x-2,y,z-1 |
1_354 |
5 |
1 |
11380 |
27.3 |
-0.4 |
0.429 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[MES]H:301 |
2 |
1 |
338 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
6795 |
9.1 |
-0.0 |
0.127 |
0 |
0 |
0 |
0.002 |
26 |
31 |
|
C |
1 |
1 |
6795 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
1 |
1 |
11380 |
3.5 |
0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
H |
1 |
1 |
11742 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
7022 |
2.4 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
33 |
|
C |
2 |
1 |
6795 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
12704 |
1.1 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
Average: |
1.8 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
L |
1 |
1 |
11117 |
◊ |
G |
-x-1,y-1/2,-z+2 |
2_447 |
1 |
1 |
7022 |
2.3 |
0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
|