## |
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 |
|
B |
97 |
27 |
9685 |
◊ |
A |
x,y,z |
1_555 |
97 |
27 |
9133 |
891.9 |
2.9 |
0.789 |
3 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
61 |
14 |
9133 |
◊ |
A |
-y,-x,-z+1/4 |
8_555 |
60 |
14 |
9133 |
573.1 |
4.2 |
0.820 |
8 |
0 |
0 |
0.011 |
3 |
|
B |
61 |
13 |
9685 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
60 |
13 |
9685 |
552.8 |
2.2 |
0.784 |
8 |
2 |
0 |
0.011 |
Average: |
563.0 |
3.2 |
0.802 |
8 |
1 |
0 |
0.011 |
3 |
4 |
|
B |
31 |
11 |
9685 |
◊ |
A |
x,y-1,z |
1_545 |
38 |
13 |
9133 |
319.3 |
-3.8 |
0.238 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
[C2E]A:405 |
32 |
1 |
776 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
9133 |
313.2 |
2.3 |
0.784 |
11 |
0 |
0 |
0.041 |
6 |
|
[C2E]A:407 |
30 |
1 |
765 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
9685 |
304.5 |
1.3 |
0.748 |
6 |
0 |
0 |
0.041 |
Average: |
308.8 |
1.8 |
0.766 |
9 |
0 |
0 |
0.041 |
5 |
7 |
|
[C2E]A:401 |
25 |
1 |
676 |
◊ |
A |
x,y,z |
1_555 |
26 |
12 |
9133 |
245.7 |
-1.0 |
0.436 |
5 |
0 |
0 |
0.034 |
6 |
8 |
|
[C2E]A:401 |
25 |
1 |
676 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
9685 |
241.5 |
-3.4 |
0.375 |
5 |
0 |
0 |
0.074 |
7 |
9 |
|
[C2E]A:407 |
23 |
1 |
765 |
f |
A |
x,y,z |
1_555 |
25 |
4 |
9133 |
208.0 |
-0.5 |
0.610 |
7 |
0 |
0 |
0.071 |
10 |
|
[C2E]A:405 |
17 |
1 |
776 |
f |
B |
x,y,z |
1_555 |
22 |
5 |
9685 |
156.8 |
-1.6 |
0.481 |
3 |
0 |
0 |
0.071 |
Average: |
182.4 |
-1.1 |
0.545 |
5 |
0 |
0 |
0.071 |
8 |
11 |
|
[C2E]A:406 |
26 |
1 |
777 |
f |
[C2E]A:405 |
x,y,z |
1_555 |
25 |
1 |
776 |
204.6 |
-4.6 |
0.420 |
2 |
0 |
0 |
0.071 |
9 |
12 |
|
[C2E]B:404 |
22 |
1 |
772 |
f |
[C2E]A:407 |
x,y,z |
1_555 |
23 |
1 |
765 |
199.3 |
-1.9 |
0.514 |
3 |
0 |
0 |
0.064 |
10 |
13 |
|
[C2E]B:404 |
18 |
1 |
772 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
9685 |
169.6 |
3.9 |
0.807 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
15 |
5 |
9685 |
◊ |
B |
-x,y,-z |
5_555 |
15 |
5 |
9685 |
164.6 |
-1.2 |
0.440 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[C2E]A:406 |
18 |
1 |
777 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
9133 |
157.9 |
2.4 |
0.767 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[C2E]B:404 |
21 |
1 |
772 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
9133 |
152.4 |
-2.5 |
0.468 |
2 |
0 |
0 |
0.066 |
14 |
17 |
|
[C2E]A:406 |
18 |
1 |
777 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
9685 |
122.4 |
0.9 |
0.731 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[C2E]A:406 |
14 |
1 |
777 |
◊ |
B |
-x,y,-z |
5_555 |
9 |
4 |
9685 |
116.9 |
-2.0 |
0.295 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
9685 |
104.1 |
-17.2 |
0.646 |
6 |
0 |
0 |
0.259 |
17 |
20 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9133 |
100.6 |
-15.1 |
0.703 |
4 |
0 |
0 |
0.330 |
18 |
21 |
|
[C2E]B:404 |
13 |
1 |
772 |
◊ |
A |
-x+1,y,-z |
5_655 |
13 |
2 |
9133 |
98.9 |
-1.0 |
0.327 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[C2E]B:404 |
13 |
1 |
772 |
◊ |
[C2E]B:404 |
-x+1,y,-z |
5_655 |
13 |
1 |
772 |
94.5 |
-0.7 |
0.556 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
B |
6 |
2 |
9685 |
◊ |
A |
-y,-x,-z+1/4 |
8_555 |
6 |
2 |
9133 |
63.3 |
1.0 |
0.814 |
2 |
4 |
0 |
0.003 |
21 |
24 |
|
[SO4]B:402 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
9685 |
62.8 |
-8.2 |
0.736 |
5 |
0 |
0 |
0.136 |
22 |
25 |
|
[C2E]A:405 |
12 |
1 |
776 |
◊ |
B |
-x,y,-z |
5_555 |
6 |
1 |
9685 |
62.8 |
-0.0 |
0.460 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]A:402 |
5 |
1 |
185 |
◊ |
A |
-y,-x,-z+1/4 |
8_555 |
14 |
5 |
9133 |
61.5 |
-7.9 |
0.709 |
4 |
0 |
0 |
0.188 |
24 |
27 |
|
[SO4]A:402 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
9133 |
59.1 |
-7.8 |
0.676 |
3 |
0 |
0 |
0.179 |
25 |
28 |
|
[SO4]B:402 |
5 |
1 |
185 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
12 |
5 |
9685 |
57.4 |
-7.3 |
0.713 |
4 |
0 |
0 |
0.119 |
26 |
29 |
|
[SO4]B:402 |
5 |
1 |
185 |
f |
[SO4]B:402 |
-y,-x,-z+1/4 |
8_555 |
5 |
1 |
185 |
51.3 |
-11.1 |
0.993 |
0 |
0 |
0 |
0.100 |
27 |
30 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
[SO4]A:402 |
-y,-x,-z+1/4 |
8_555 |
5 |
1 |
185 |
49.8 |
-11.1 |
0.993 |
0 |
0 |
0 |
0.108 |
28 |
31 |
|
[SO4]B:403 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
9685 |
48.7 |
-5.8 |
0.906 |
3 |
0 |
0 |
0.093 |
29 |
32 |
|
[SO4]A:403 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
9685 |
47.0 |
-5.8 |
0.730 |
0 |
0 |
0 |
0.061 |
30 |
33 |
|
[SO4]A:404 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
9685 |
42.6 |
-5.0 |
0.849 |
1 |
0 |
0 |
0.072 |
31 |
34 |
|
[SO4]A:404 |
4 |
1 |
186 |
◊ |
A |
-y,-x,-z+1/4 |
8_555 |
3 |
1 |
9133 |
40.7 |
-3.4 |
0.969 |
2 |
0 |
0 |
0.033 |
32 |
35 |
|
[SO4]B:403 |
4 |
1 |
186 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
3 |
1 |
9685 |
39.8 |
-3.4 |
0.967 |
3 |
0 |
0 |
0.062 |
33 |
36 |
|
[SO4]A:404 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
9133 |
39.5 |
-4.9 |
0.918 |
1 |
0 |
0 |
0.056 |
34 |
37 |
|
[SO4]B:403 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
9133 |
37.9 |
-4.5 |
0.823 |
0 |
0 |
0 |
0.047 |
35 |
38 |
|
[C2E]A:401 |
4 |
1 |
676 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
3 |
1 |
9685 |
32.2 |
0.9 |
0.722 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[C2E]A:401 |
4 |
1 |
676 |
◊ |
A |
-y,-x,-z+1/4 |
8_555 |
3 |
1 |
9133 |
30.1 |
0.5 |
0.656 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[SO4]B:401 |
2 |
1 |
185 |
◊ |
[C2E]A:407 |
x,y,z |
1_555 |
1 |
1 |
765 |
20.4 |
-2.2 |
0.809 |
1 |
0 |
0 |
0.028 |
38 |
41 |
|
[SO4]B:401 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9133 |
15.0 |
-1.8 |
0.735 |
0 |
0 |
0 |
0.019 |
39 |
42 |
|
[C2E]A:401 |
2 |
1 |
676 |
◊ |
[C2E]A:401 |
-y,-x,-z+1/4 |
8_555 |
2 |
1 |
676 |
12.8 |
-0.5 |
0.301 |
0 |
0 |
0 |
0.004 |
40 |
43 |
|
[SO4]A:403 |
1 |
1 |
186 |
◊ |
[C2E]A:405 |
x,y,z |
1_555 |
1 |
1 |
776 |
3.0 |
-0.3 |
0.723 |
0 |
0 |
0 |
0.003 |
41 |
44 |
|
A |
1 |
1 |
9133 |
◊ |
A |
-x+1,y,-z |
5_655 |
1 |
1 |
9133 |
1.2 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
|