## |
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 |
445 |
117 |
23561 |
◊ |
A |
x,y,z |
1_555 |
441 |
114 |
23777 |
4259.0 |
-45.9 |
0.085 |
54 |
14 |
0 |
0.603 |
2 |
|
D |
434 |
114 |
23750 |
◊ |
C |
x,y,z |
1_555 |
441 |
116 |
23773 |
4215.4 |
-44.7 |
0.053 |
53 |
14 |
0 |
0.603 |
Average: |
4237.2 |
-45.3 |
0.069 |
54 |
14 |
0 |
0.603 |
2 |
3 |
|
B |
71 |
23 |
23561 |
◊ |
A |
x-1,y,z |
1_455 |
73 |
22 |
23777 |
622.1 |
-4.7 |
0.490 |
9 |
4 |
0 |
0.010 |
4 |
|
D |
57 |
20 |
23750 |
◊ |
C |
x-1,y,z |
1_455 |
45 |
18 |
23773 |
462.9 |
-4.3 |
0.362 |
5 |
0 |
0 |
0.010 |
Average: |
542.5 |
-4.5 |
0.426 |
7 |
2 |
0 |
0.010 |
3 |
5 |
|
[KRS]D:602 |
21 |
1 |
474 |
f |
D |
x,y,z |
1_555 |
61 |
22 |
23750 |
340.9 |
0.9 |
0.554 |
5 |
0 |
0 |
0.015 |
6 |
|
[KRS]B:602 |
21 |
1 |
470 |
f |
B |
x,y,z |
1_555 |
61 |
22 |
23561 |
338.4 |
1.2 |
0.574 |
5 |
0 |
0 |
0.015 |
7 |
|
[KRS]C:602 |
21 |
1 |
470 |
f |
C |
x,y,z |
1_555 |
59 |
22 |
23773 |
337.2 |
0.8 |
0.527 |
3 |
0 |
0 |
0.015 |
8 |
|
[KRS]A:602 |
21 |
1 |
472 |
f |
A |
x,y,z |
1_555 |
61 |
22 |
23777 |
336.9 |
1.0 |
0.558 |
4 |
0 |
0 |
0.015 |
Average: |
338.4 |
1.0 |
0.553 |
4 |
0 |
0 |
0.015 |
4 |
9 |
|
C |
37 |
12 |
23773 |
◊ |
A |
x,y-1,z |
1_545 |
34 |
14 |
23777 |
270.4 |
-0.2 |
0.695 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
D |
28 |
12 |
23750 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
23561 |
237.6 |
-1.3 |
0.570 |
2 |
1 |
0 |
0.000 |
6 |
11 |
|
C |
18 |
6 |
23773 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
30 |
8 |
23773 |
192.5 |
-1.4 |
0.508 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
25 |
8 |
23777 |
x |
A |
-x,y-1/2,-z |
2_545 |
18 |
6 |
23777 |
183.6 |
-1.7 |
0.465 |
1 |
0 |
0 |
0.000 |
Average: |
188.1 |
-1.5 |
0.486 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
C |
18 |
5 |
23773 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
5 |
23561 |
153.9 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
21 |
7 |
23750 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
4 |
23777 |
141.1 |
-0.5 |
0.611 |
0 |
0 |
0 |
0.000 |
Average: |
147.5 |
-0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
C |
12 |
4 |
23773 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
23777 |
121.5 |
-2.0 |
0.256 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
D |
16 |
5 |
23750 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
6 |
23777 |
104.5 |
-0.2 |
0.591 |
0 |
2 |
0 |
0.000 |
17 |
|
C |
7 |
3 |
23773 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
10 |
3 |
23561 |
71.4 |
0.5 |
0.739 |
1 |
1 |
0 |
0.000 |
Average: |
88.0 |
0.1 |
0.665 |
1 |
2 |
0 |
0.000 |
10 |
18 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
23561 |
97.9 |
-14.5 |
0.821 |
1 |
0 |
0 |
0.125 |
11 |
19 |
|
[SO4]C:603 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
23773 |
97.2 |
-14.2 |
0.805 |
2 |
0 |
0 |
0.127 |
12 |
20 |
|
D |
11 |
3 |
23750 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
8 |
4 |
23561 |
96.5 |
-0.6 |
0.488 |
1 |
2 |
0 |
0.000 |
21 |
|
D |
5 |
4 |
23750 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
4 |
23561 |
38.1 |
-0.4 |
0.568 |
0 |
0 |
0 |
0.000 |
Average: |
67.3 |
-0.5 |
0.528 |
1 |
1 |
0 |
0.000 |
13 |
22 |
|
[SO4]A:604 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
23777 |
96.5 |
-12.3 |
0.893 |
0 |
0 |
0 |
0.103 |
14 |
23 |
|
[SO4]D:603 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
23750 |
95.7 |
-14.6 |
0.581 |
0 |
0 |
0 |
0.123 |
15 |
24 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
23777 |
93.1 |
-13.4 |
0.802 |
1 |
0 |
0 |
0.116 |
16 |
25 |
|
[SO4]D:604 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
23750 |
88.2 |
-13.5 |
0.788 |
1 |
0 |
0 |
0.117 |
17 |
26 |
|
[EDO]D:605 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
23750 |
79.3 |
1.4 |
0.699 |
2 |
0 |
0 |
0.000 |
18 |
27 |
|
[SO4]D:603 |
4 |
1 |
184 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
3 |
23773 |
50.3 |
-7.2 |
0.758 |
1 |
0 |
0 |
0.012 |
19 |
28 |
|
D |
5 |
3 |
23750 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
5 |
3 |
23773 |
42.9 |
0.7 |
0.803 |
1 |
2 |
0 |
0.000 |
29 |
|
A |
2 |
2 |
23777 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
2 |
23561 |
7.9 |
0.1 |
0.667 |
0 |
0 |
0 |
0.000 |
Average: |
25.4 |
0.4 |
0.735 |
1 |
1 |
0 |
0.000 |
20 |
30 |
|
[SO4]B:603 |
3 |
1 |
185 |
f |
[KRS]B:602 |
x,y,z |
1_555 |
3 |
1 |
470 |
23.6 |
-2.3 |
0.763 |
0 |
0 |
0 |
0.020 |
21 |
31 |
|
[SO4]A:603 |
3 |
1 |
185 |
f |
[KRS]A:602 |
x,y,z |
1_555 |
4 |
1 |
472 |
22.1 |
-2.2 |
0.741 |
0 |
0 |
0 |
0.018 |
22 |
32 |
|
[SO4]D:604 |
4 |
1 |
185 |
f |
[KRS]D:602 |
x,y,z |
1_555 |
4 |
1 |
474 |
20.8 |
-1.7 |
0.746 |
0 |
0 |
0 |
0.014 |
23 |
33 |
|
[SO4]C:603 |
2 |
1 |
186 |
f |
[KRS]C:602 |
x,y,z |
1_555 |
4 |
1 |
470 |
20.6 |
-2.1 |
0.706 |
0 |
0 |
0 |
0.018 |
|