## |
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 |
49 |
15 |
10084 |
x |
A |
x,y-1,z |
1_545 |
59 |
20 |
10084 |
563.1 |
-8.1 |
0.161 |
5 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
48 |
15 |
9618 |
◊ |
A |
-x+3/2,y-1/2,-z+3 |
4_648 |
44 |
15 |
10084 |
424.2 |
-7.8 |
0.136 |
3 |
0 |
0 |
0.000 |
3 |
3 |
|
P |
30 |
3 |
1369 |
◊ |
B |
x,y,z |
1_555 |
36 |
13 |
9618 |
318.5 |
-2.7 |
0.489 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
42 |
14 |
10084 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
31 |
3 |
1359 |
302.3 |
-2.9 |
0.619 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
E |
32 |
3 |
1359 |
◊ |
B |
x,y,z |
1_555 |
43 |
15 |
9618 |
278.6 |
-2.1 |
0.705 |
4 |
0 |
0 |
0.000 |
6 |
6 |
|
P |
32 |
3 |
1369 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
10084 |
274.5 |
-1.0 |
0.735 |
4 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
27 |
11 |
9618 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
10084 |
261.8 |
-1.6 |
0.519 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
25 |
9 |
9618 |
x |
B |
x,y-1,z |
1_545 |
26 |
8 |
9618 |
255.7 |
-3.1 |
0.291 |
4 |
2 |
0 |
0.000 |
9 |
9 |
|
[CPQ]B:401 |
18 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
34 |
9 |
9618 |
232.7 |
-0.4 |
0.372 |
0 |
0 |
0 |
0.001 |
10 |
10 |
|
A |
19 |
6 |
10084 |
◊ |
B |
x-1/2,y+3/2,z |
3_465 |
29 |
9 |
9618 |
220.5 |
-2.3 |
0.405 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[BRU]E:5 |
19 |
1 |
447 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
9618 |
205.9 |
2.1 |
0.726 |
3 |
0 |
0 |
0.000 |
12 |
12 |
|
A |
19 |
7 |
10084 |
x |
A |
-x+1,y-1,-z+3 |
2_648 |
16 |
6 |
10084 |
190.6 |
0.6 |
0.749 |
2 |
1 |
0 |
0.000 |
13 |
13 |
|
A |
24 |
10 |
10084 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
24 |
7 |
9618 |
188.8 |
-0.9 |
0.603 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[BRU]P:5 |
19 |
1 |
445 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
10084 |
183.6 |
1.1 |
0.598 |
3 |
0 |
0 |
0.000 |
15 |
15 |
|
[BRU]P:4 |
17 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
10084 |
178.4 |
-1.0 |
0.502 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
[BRU]E:4 |
17 |
1 |
450 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
9618 |
170.8 |
-0.1 |
0.541 |
3 |
0 |
0 |
0.000 |
17 |
17 |
|
A |
23 |
7 |
10084 |
◊ |
E |
-x+3/2,y-1/2,-z+3 |
4_648 |
18 |
2 |
1359 |
155.3 |
-0.9 |
0.554 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
B |
14 |
5 |
9618 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
14 |
5 |
9618 |
139.1 |
1.2 |
0.835 |
4 |
0 |
0 |
0.000 |
19 |
19 |
|
[DIO]A:402 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
10084 |
125.8 |
4.0 |
0.216 |
0 |
0 |
0 |
0.000 |
20 |
20 |
|
A |
10 |
4 |
10084 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
10 |
4 |
10084 |
122.1 |
0.9 |
0.808 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
A |
19 |
8 |
10084 |
◊ |
[BRU]E:4 |
x-1/2,y+1/2,z |
3_455 |
15 |
1 |
450 |
117.1 |
0.7 |
0.571 |
1 |
0 |
0 |
0.000 |
22 |
22 |
|
[BRU]P:4 |
15 |
1 |
451 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
9618 |
116.7 |
0.7 |
0.586 |
1 |
0 |
0 |
0.000 |
23 |
23 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
10084 |
109.0 |
-15.6 |
0.805 |
2 |
0 |
0 |
0.041 |
24 |
24 |
|
[DIO]B:402 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
9618 |
103.3 |
4.0 |
0.119 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
[DIO]B:403 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9618 |
92.5 |
2.6 |
0.144 |
1 |
0 |
0 |
0.000 |
26 |
26 |
|
[GOL]A:405 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
10084 |
89.8 |
0.3 |
0.652 |
6 |
0 |
0 |
0.006 |
27 |
27 |
|
[CPQ]B:401 |
6 |
1 |
559 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
10 |
2 |
9618 |
86.0 |
1.0 |
0.491 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[SO4]P:101 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
10084 |
84.4 |
-12.4 |
0.780 |
1 |
0 |
0 |
0.032 |
29 |
29 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9618 |
82.1 |
-12.0 |
0.821 |
3 |
0 |
0 |
0.047 |
30 |
30 |
|
[BRU]E:5 |
10 |
1 |
447 |
cf |
E |
x,y,z |
1_555 |
12 |
2 |
1359 |
81.3 |
0.5 |
0.567 |
0 |
0 |
0 |
0.000 |
31 |
31 |
|
[BRU]P:4 |
10 |
1 |
451 |
cf |
P |
x,y,z |
1_555 |
9 |
1 |
1369 |
80.9 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
32 |
32 |
|
[BRU]E:4 |
10 |
1 |
450 |
cf |
E |
x,y,z |
1_555 |
12 |
1 |
1359 |
79.7 |
-0.4 |
0.546 |
0 |
0 |
0 |
1.000 |
33 |
33 |
|
[BRU]P:5 |
10 |
1 |
445 |
cf |
P |
x,y,z |
1_555 |
14 |
2 |
1369 |
78.7 |
0.8 |
0.592 |
0 |
0 |
0 |
0.000 |
34 |
34 |
|
[DIO]A:401 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
10084 |
77.2 |
1.7 |
0.027 |
0 |
0 |
0 |
0.000 |
35 |
35 |
|
[CPQ]B:401 |
8 |
1 |
559 |
◊ |
[CPQ]B:401 |
-x+1,y,-z+2 |
2_657 |
8 |
1 |
559 |
77.0 |
2.9 |
0.604 |
0 |
0 |
0 |
0.000 |
36 |
36 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10084 |
74.6 |
-8.9 |
0.948 |
3 |
0 |
0 |
0.025 |
37 |
37 |
|
[SO4]B:406 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9618 |
73.7 |
-10.6 |
0.726 |
4 |
0 |
0 |
0.044 |
38 |
38 |
|
[BRU]E:5 |
7 |
1 |
447 |
cf |
[BRU]E:4 |
x,y,z |
1_555 |
9 |
1 |
450 |
71.3 |
-0.1 |
0.441 |
0 |
0 |
0 |
0.323 |
39 |
|
[BRU]P:5 |
7 |
1 |
445 |
cf |
[BRU]P:4 |
x,y,z |
1_555 |
9 |
1 |
451 |
69.3 |
0.2 |
0.480 |
0 |
0 |
0 |
0.323 |
Average: |
70.3 |
0.1 |
0.460 |
0 |
0 |
0 |
0.323 |
39 |
40 |
|
[BRU]P:5 |
7 |
1 |
445 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
9618 |
63.2 |
-1.4 |
0.329 |
1 |
0 |
0 |
0.000 |
40 |
41 |
|
A |
9 |
6 |
10084 |
◊ |
[BRU]E:5 |
x-1/2,y+1/2,z |
3_455 |
6 |
1 |
447 |
59.9 |
-0.7 |
0.325 |
1 |
0 |
0 |
0.000 |
41 |
42 |
|
[SO4]B:405 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
9618 |
57.6 |
-6.5 |
0.960 |
3 |
0 |
0 |
0.028 |
42 |
43 |
|
[DIO]A:402 |
4 |
1 |
217 |
f |
A |
x,y-1,z |
1_545 |
7 |
4 |
10084 |
51.5 |
1.3 |
0.066 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[DIO]B:403 |
4 |
1 |
219 |
f |
B |
x,y-1,z |
1_545 |
7 |
5 |
9618 |
48.2 |
1.3 |
0.082 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
[SO4]P:101 |
4 |
1 |
185 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
1369 |
40.1 |
-5.5 |
0.644 |
1 |
0 |
0 |
0.000 |
45 |
46 |
|
A |
2 |
1 |
10084 |
◊ |
[SO4]B:405 |
-x+3/2,y-1/2,-z+3 |
4_648 |
4 |
1 |
185 |
36.6 |
-2.6 |
0.989 |
1 |
0 |
0 |
0.000 |
46 |
47 |
|
[SO4]P:101 |
4 |
1 |
185 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
10084 |
36.2 |
-3.5 |
0.928 |
2 |
0 |
0 |
0.000 |
47 |
48 |
|
[GOL]A:405 |
6 |
1 |
217 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
9618 |
34.2 |
-0.2 |
0.561 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[DIO]A:401 |
2 |
1 |
218 |
f |
B |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
9618 |
18.5 |
0.4 |
0.166 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[BRU]P:5 |
2 |
1 |
445 |
◊ |
[SO4]A:403 |
x,y,z |
1_555 |
2 |
1 |
186 |
16.3 |
-2.2 |
0.590 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
[SO4]B:405 |
1 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
1359 |
15.0 |
-2.6 |
0.575 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
A |
2 |
1 |
10084 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
9618 |
12.7 |
0.6 |
0.859 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[BRU]E:5 |
2 |
1 |
447 |
◊ |
[SO4]B:405 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.8 |
-1.4 |
0.590 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[BRU]P:4 |
1 |
1 |
451 |
◊ |
[SO4]A:403 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.6 |
-1.4 |
0.400 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[BRU]E:4 |
1 |
1 |
450 |
◊ |
[SO4]B:405 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.9 |
-1.1 |
0.400 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[SO4]B:404 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10084 |
2.8 |
-0.4 |
0.654 |
0 |
0 |
0 |
0.000 |
|