## |
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 |
244 |
43 |
5389 |
◊ |
B |
x,y,z |
1_555 |
358 |
89 |
11223 |
2978.5 |
-29.3 |
0.479 |
64 |
5 |
0 |
0.560 |
2 |
|
C |
248 |
43 |
5454 |
◊ |
A |
x,y,z |
1_555 |
348 |
86 |
11102 |
2959.2 |
-32.7 |
0.418 |
61 |
6 |
0 |
0.560 |
Average: |
2968.8 |
-31.0 |
0.448 |
63 |
6 |
0 |
0.560 |
2 |
3 |
|
A |
83 |
21 |
11102 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
82 |
21 |
11102 |
729.5 |
5.0 |
0.951 |
10 |
0 |
0 |
0.000 |
4 |
|
B |
66 |
21 |
11223 |
◊ |
B |
x,-y-1,-z |
4_545 |
66 |
21 |
11223 |
618.4 |
2.5 |
0.872 |
10 |
2 |
0 |
0.000 |
Average: |
673.9 |
3.8 |
0.912 |
10 |
1 |
0 |
0.000 |
3 |
5 |
|
B |
59 |
17 |
11223 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
57 |
18 |
11102 |
581.5 |
-7.6 |
0.208 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
53 |
19 |
11223 |
◊ |
A |
x,y,z |
1_555 |
59 |
16 |
11102 |
535.5 |
-6.6 |
0.255 |
2 |
0 |
0 |
0.000 |
Average: |
558.5 |
-7.1 |
0.232 |
3 |
0 |
0 |
0.000 |
4 |
7 |
|
[06R]A:2115 |
21 |
1 |
461 |
f |
A |
x,y,z |
1_555 |
56 |
18 |
11102 |
328.7 |
-2.8 |
0.416 |
5 |
0 |
0 |
0.047 |
5 |
8 |
|
[06R]B:2116 |
21 |
1 |
461 |
f |
B |
x,y,z |
1_555 |
56 |
18 |
11223 |
326.0 |
-2.8 |
0.408 |
5 |
0 |
0 |
0.047 |
6 |
9 |
|
D |
25 |
8 |
5389 |
◊ |
D |
x,-y-1,-z |
4_545 |
25 |
8 |
5389 |
304.3 |
-0.8 |
0.790 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
22 |
9 |
5454 |
◊ |
C |
-x-1,y,-z+1/2 |
3_455 |
21 |
9 |
5454 |
165.6 |
3.3 |
0.963 |
6 |
0 |
0 |
0.000 |
Average: |
235.0 |
1.2 |
0.877 |
4 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
16 |
7 |
5389 |
◊ |
B |
x,-y-1,-z |
4_545 |
14 |
6 |
11223 |
145.6 |
-1.9 |
0.340 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
12 |
6 |
5454 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
16 |
4 |
11102 |
136.3 |
-2.3 |
0.322 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[SO4]B:2115 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11223 |
112.4 |
-18.1 |
0.695 |
7 |
0 |
0 |
0.200 |
10 |
14 |
|
[SO4]A:2114 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11102 |
100.6 |
-15.3 |
0.852 |
6 |
0 |
0 |
0.165 |
11 |
15 |
|
B |
9 |
5 |
11223 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
5 |
3 |
5454 |
86.7 |
-1.0 |
0.386 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
5 |
3 |
5389 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11102 |
60.7 |
-1.1 |
0.388 |
0 |
0 |
0 |
0.000 |
Average: |
73.7 |
-1.1 |
0.387 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[GOL]C:2163 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
5454 |
83.0 |
-0.1 |
0.670 |
2 |
0 |
0 |
0.009 |
13 |
18 |
|
[SO4]C:2162 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11102 |
75.6 |
-8.9 |
0.889 |
2 |
0 |
0 |
0.091 |
14 |
19 |
|
A |
10 |
3 |
11102 |
◊ |
A |
x,-y,-z |
4_555 |
10 |
3 |
11102 |
73.4 |
0.3 |
0.718 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[SO4]D:2162 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11223 |
69.7 |
-8.3 |
0.897 |
3 |
0 |
0 |
0.091 |
16 |
21 |
|
[GOL]C:2163 |
5 |
1 |
219 |
◊ |
C |
-x-1,y,-z+1/2 |
3_455 |
15 |
6 |
5454 |
68.7 |
0.2 |
0.651 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]C:2162 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
5454 |
68.4 |
-10.0 |
0.813 |
1 |
0 |
0 |
0.097 |
18 |
23 |
|
[SO4]D:2162 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
5389 |
65.7 |
-9.5 |
0.792 |
1 |
0 |
0 |
0.100 |
19 |
24 |
|
C |
3 |
1 |
5454 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
10 |
3 |
11223 |
62.2 |
-1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
3 |
1 |
5389 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
6 |
2 |
11102 |
55.6 |
-1.7 |
0.172 |
0 |
0 |
0 |
0.000 |
Average: |
58.9 |
-1.6 |
0.189 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[GOL]C:2163 |
5 |
1 |
219 |
◊ |
[GOL]C:2163 |
-x-1,y,-z+1/2 |
3_455 |
5 |
1 |
219 |
59.3 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
C |
2 |
1 |
5454 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11223 |
43.3 |
-0.6 |
0.301 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
2 |
1 |
5389 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
11102 |
40.7 |
-0.5 |
0.328 |
0 |
0 |
0 |
0.000 |
Average: |
42.0 |
-0.6 |
0.314 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[06R]B:2116 |
2 |
1 |
461 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
5389 |
39.3 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[06R]A:2115 |
2 |
1 |
461 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
5454 |
39.0 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
B |
6 |
2 |
11223 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
11102 |
36.7 |
0.3 |
0.708 |
1 |
1 |
0 |
0.000 |
25 |
32 |
|
B |
2 |
1 |
11223 |
◊ |
A |
-x-1,y,-z+1/2 |
3_455 |
3 |
1 |
11102 |
31.7 |
0.5 |
0.822 |
1 |
1 |
0 |
0.000 |
26 |
33 |
|
[SO4]A:2114 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
5454 |
31.1 |
-3.6 |
0.870 |
0 |
0 |
0 |
0.033 |
27 |
34 |
|
B |
5 |
3 |
11223 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
5 |
3 |
11223 |
30.1 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[SO4]B:2115 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5389 |
16.6 |
-1.9 |
0.864 |
0 |
0 |
0 |
0.018 |
29 |
36 |
|
[SO4]A:2114 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11223 |
11.0 |
-1.1 |
0.810 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[SO4]B:2115 |
1 |
1 |
185 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
11102 |
7.0 |
-0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
|