## |
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 |
|
C |
94 |
23 |
8890 |
◊ |
A |
x,y,z |
1_555 |
121 |
38 |
9127 |
923.4 |
-13.4 |
0.056 |
10 |
4 |
0 |
0.401 |
2 |
|
B |
107 |
34 |
8117 |
◊ |
A |
x,y,z |
1_555 |
96 |
23 |
9127 |
887.4 |
-12.5 |
0.061 |
9 |
4 |
0 |
0.401 |
3 |
|
C |
116 |
35 |
8890 |
◊ |
B |
x,y,z |
1_555 |
88 |
21 |
8117 |
884.7 |
-11.4 |
0.073 |
9 |
4 |
0 |
0.401 |
Average: |
898.5 |
-12.4 |
0.063 |
9 |
4 |
0 |
0.401 |
2 |
4 |
|
A |
58 |
17 |
9127 |
x |
A |
-y,x,z+1/4 |
3_555 |
61 |
14 |
9127 |
547.2 |
2.1 |
0.792 |
11 |
1 |
0 |
0.000 |
5 |
|
C |
52 |
17 |
8890 |
x |
C |
-y+1,x,z+1/4 |
3_655 |
58 |
14 |
8890 |
481.3 |
0.7 |
0.661 |
7 |
1 |
0 |
0.000 |
Average: |
514.3 |
1.4 |
0.727 |
9 |
1 |
0 |
0.000 |
3 |
6 |
|
[DU3]B:201 |
26 |
1 |
559 |
◊ |
B |
x,y,z |
1_555 |
38 |
14 |
8117 |
294.4 |
1.6 |
0.266 |
3 |
0 |
0 |
0.000 |
4 |
7 |
|
[DU3]C:201 |
26 |
1 |
558 |
◊ |
C |
x,y,z |
1_555 |
39 |
13 |
8890 |
289.3 |
1.3 |
0.310 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
[DU3]A:201 |
25 |
1 |
549 |
◊ |
A |
x,y,z |
1_555 |
40 |
15 |
9127 |
287.9 |
1.3 |
0.327 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
26 |
8 |
8890 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
39 |
10 |
8117 |
267.1 |
-2.8 |
0.286 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
25 |
7 |
9127 |
◊ |
C |
-y,x,z+1/4 |
3_555 |
37 |
10 |
8890 |
248.9 |
-3.3 |
0.237 |
2 |
0 |
0 |
0.000 |
Average: |
258.0 |
-3.1 |
0.261 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
F |
15 |
3 |
493 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
9127 |
162.0 |
-0.3 |
0.637 |
3 |
0 |
0 |
0.012 |
8 |
12 |
|
F |
11 |
3 |
493 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
8117 |
152.8 |
-1.9 |
0.402 |
0 |
0 |
0 |
0.015 |
9 |
13 |
|
[DU3]A:201 |
10 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8117 |
108.1 |
0.6 |
0.388 |
0 |
0 |
0 |
0.003 |
14 |
|
[DU3]C:201 |
8 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9127 |
74.8 |
-0.5 |
0.257 |
0 |
0 |
0 |
0.003 |
Average: |
91.4 |
0.0 |
0.323 |
0 |
0 |
0 |
0.003 |
10 |
15 |
|
B |
9 |
2 |
8117 |
x |
B |
-x,-y+1,z-1/2 |
2_564 |
14 |
4 |
8117 |
98.9 |
0.7 |
0.688 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]C:203 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
8890 |
89.4 |
-13.4 |
0.832 |
4 |
0 |
0 |
0.118 |
12 |
17 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
8117 |
82.9 |
-11.2 |
0.845 |
3 |
0 |
0 |
0.097 |
13 |
18 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
8890 |
79.6 |
-10.8 |
0.840 |
4 |
0 |
0 |
0.097 |
14 |
19 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9127 |
79.1 |
-10.7 |
0.849 |
3 |
0 |
0 |
0.094 |
15 |
20 |
|
[DU3]B:201 |
7 |
1 |
559 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8890 |
74.3 |
1.1 |
0.427 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
B |
7 |
4 |
8117 |
◊ |
A |
-x,-y+1,z-1/2 |
2_564 |
6 |
2 |
9127 |
63.1 |
0.4 |
0.694 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]C:202 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8117 |
42.5 |
-5.3 |
0.805 |
0 |
0 |
0 |
0.041 |
18 |
23 |
|
[SO4]B:202 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9127 |
39.6 |
-4.8 |
0.816 |
0 |
0 |
0 |
0.038 |
19 |
24 |
|
[SO4]A:202 |
4 |
1 |
186 |
f |
[DU3]C:201 |
x,y,z |
1_555 |
5 |
1 |
558 |
39.5 |
-4.3 |
0.695 |
0 |
0 |
0 |
0.033 |
20 |
25 |
|
A |
3 |
1 |
9127 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
8890 |
36.6 |
-0.6 |
0.267 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[SO4]A:202 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8890 |
36.1 |
-4.7 |
0.768 |
0 |
0 |
0 |
0.036 |
22 |
27 |
|
[SO4]C:202 |
4 |
1 |
186 |
f |
[DU3]B:201 |
x,y,z |
1_555 |
5 |
1 |
559 |
34.5 |
-3.7 |
0.667 |
0 |
0 |
0 |
0.029 |
23 |
28 |
|
[SO4]B:202 |
2 |
1 |
185 |
f |
[DU3]A:201 |
x,y,z |
1_555 |
6 |
1 |
549 |
29.2 |
-3.2 |
0.639 |
0 |
0 |
0 |
0.025 |
|