## |
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 |
174 |
43 |
7065 |
◊ |
A |
x,y,z |
1_555 |
173 |
43 |
7064 |
1638.6 |
-25.4 |
0.020 |
31 |
8 |
0 |
0.000 |
2 |
2 |
|
J |
43 |
6 |
1059 |
◊ |
A |
x,y,z |
1_555 |
56 |
19 |
7064 |
326.1 |
-4.0 |
0.636 |
7 |
0 |
0 |
0.000 |
3 |
|
I |
42 |
6 |
1058 |
◊ |
B |
x,y,z |
1_555 |
56 |
19 |
7065 |
325.4 |
-3.9 |
0.639 |
7 |
0 |
0 |
0.000 |
Average: |
325.8 |
-4.0 |
0.637 |
7 |
0 |
0 |
0.000 |
3 |
4 |
|
I |
47 |
6 |
1058 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
7064 |
290.3 |
-5.3 |
0.530 |
4 |
0 |
0 |
0.000 |
5 |
|
J |
47 |
6 |
1059 |
◊ |
B |
x,y,z |
1_555 |
55 |
16 |
7065 |
289.1 |
-5.3 |
0.535 |
4 |
0 |
0 |
0.000 |
Average: |
289.7 |
-5.3 |
0.532 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
J |
57 |
6 |
1059 |
◊ |
I |
x,y,z |
1_555 |
57 |
6 |
1058 |
257.5 |
-5.5 |
0.991 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
34 |
11 |
7065 |
◊ |
A |
x,y-1,z |
1_545 |
22 |
7 |
7064 |
246.6 |
-0.6 |
0.589 |
3 |
0 |
0 |
0.000 |
8 |
|
B |
22 |
7 |
7065 |
◊ |
A |
x-1,y-1,z |
1_445 |
35 |
11 |
7064 |
246.4 |
-0.6 |
0.590 |
3 |
0 |
0 |
0.000 |
Average: |
246.5 |
-0.6 |
0.590 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
35 |
12 |
7065 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
32 |
11 |
7065 |
237.8 |
-0.2 |
0.576 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
33 |
11 |
7064 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
36 |
12 |
7064 |
237.3 |
-0.2 |
0.578 |
1 |
0 |
0 |
0.000 |
Average: |
237.5 |
-0.2 |
0.577 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
17 |
4 |
7065 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
17 |
6 |
7064 |
129.4 |
1.2 |
0.788 |
3 |
0 |
0 |
0.000 |
12 |
|
B |
17 |
6 |
7065 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
16 |
4 |
7064 |
129.4 |
1.2 |
0.787 |
3 |
0 |
0 |
0.000 |
Average: |
129.4 |
1.2 |
0.787 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
B |
17 |
4 |
7065 |
◊ |
[SO4]A:501 |
-y+1,x-y,z+1/3 |
2_655 |
5 |
1 |
182 |
67.7 |
-10.5 |
0.724 |
2 |
0 |
0 |
0.000 |
14 |
|
[SO4]B:502 |
5 |
1 |
182 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
16 |
4 |
7064 |
67.7 |
-10.6 |
0.716 |
2 |
0 |
0 |
0.000 |
Average: |
67.7 |
-10.5 |
0.720 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
[SO4]A:501 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7064 |
55.3 |
-7.1 |
0.836 |
2 |
0 |
0 |
0.000 |
16 |
|
[SO4]B:502 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
7065 |
55.2 |
-7.1 |
0.836 |
2 |
0 |
0 |
0.000 |
Average: |
55.3 |
-7.1 |
0.836 |
2 |
0 |
0 |
0.000 |
10 |
17 |
|
[ACE]I:201 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7064 |
51.5 |
-0.2 |
0.709 |
1 |
0 |
0 |
0.000 |
18 |
|
[ACE]J:201 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
7065 |
51.2 |
-0.2 |
0.708 |
1 |
0 |
0 |
0.000 |
Average: |
51.3 |
-0.2 |
0.708 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
I |
7 |
1 |
1058 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
9 |
4 |
7064 |
48.7 |
-1.0 |
0.461 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
9 |
4 |
7065 |
◊ |
J |
-y,x-y-1,z+1/3 |
2_545 |
7 |
1 |
1059 |
48.3 |
-0.9 |
0.468 |
0 |
0 |
0 |
0.000 |
Average: |
48.5 |
-0.9 |
0.465 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
J |
8 |
1 |
1059 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
7 |
4 |
7064 |
37.9 |
-0.8 |
0.454 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
7 |
4 |
7065 |
◊ |
I |
-y,x-y-1,z+1/3 |
2_545 |
7 |
1 |
1058 |
37.8 |
-0.7 |
0.444 |
0 |
0 |
0 |
0.000 |
Average: |
37.9 |
-0.8 |
0.449 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
[ACE]J:201 |
3 |
1 |
172 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
1058 |
35.3 |
-0.4 |
0.891 |
0 |
0 |
0 |
0.000 |
24 |
|
[ACE]I:201 |
3 |
1 |
172 |
◊ |
J |
x,y,z |
1_555 |
8 |
2 |
1059 |
35.2 |
-0.4 |
0.891 |
0 |
0 |
0 |
0.000 |
Average: |
35.2 |
-0.4 |
0.891 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[ACE]I:201 |
3 |
1 |
172 |
c |
I |
x,y,z |
1_555 |
7 |
2 |
1058 |
31.4 |
-0.3 |
0.900 |
1 |
0 |
0 |
0.000 |
26 |
|
[ACE]J:201 |
3 |
1 |
172 |
c |
J |
x,y,z |
1_555 |
7 |
2 |
1059 |
31.2 |
-0.3 |
0.900 |
1 |
0 |
0 |
0.000 |
Average: |
31.3 |
-0.3 |
0.900 |
1 |
0 |
0 |
0.000 |
15 |
27 |
|
[NH2]J:208 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
7064 |
29.5 |
0.4 |
0.829 |
0 |
0 |
0 |
0.000 |
28 |
|
[NH2]I:208 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
7065 |
29.3 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
Average: |
29.4 |
0.4 |
0.828 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
B |
5 |
2 |
7065 |
◊ |
[ACE]J:201 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
172 |
24.4 |
-0.7 |
0.409 |
0 |
0 |
0 |
0.000 |
30 |
|
[ACE]I:201 |
3 |
1 |
172 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
5 |
2 |
7064 |
24.2 |
-0.7 |
0.414 |
0 |
0 |
0 |
0.000 |
Average: |
24.3 |
-0.7 |
0.411 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
A |
3 |
1 |
7064 |
◊ |
[SO4]A:501 |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
182 |
23.4 |
-2.8 |
0.878 |
1 |
0 |
0 |
0.000 |
32 |
|
[SO4]B:502 |
3 |
1 |
182 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
7065 |
23.1 |
-2.8 |
0.884 |
1 |
0 |
0 |
0.000 |
Average: |
23.3 |
-2.8 |
0.881 |
1 |
0 |
0 |
0.000 |
18 |
33 |
|
[NH2]I:208 |
1 |
1 |
117 |
c |
I |
x,y,z |
1_555 |
5 |
2 |
1058 |
21.0 |
0.1 |
0.886 |
0 |
0 |
0 |
0.000 |
34 |
|
[NH2]J:208 |
1 |
1 |
117 |
c |
J |
x,y,z |
1_555 |
5 |
2 |
1059 |
21.0 |
0.1 |
0.885 |
0 |
0 |
0 |
0.000 |
Average: |
21.0 |
0.1 |
0.886 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
[NH2]I:208 |
1 |
1 |
117 |
c |
[ACE]J:201 |
x,y,z |
1_555 |
3 |
1 |
172 |
20.4 |
0.2 |
0.923 |
0 |
0 |
0 |
0.000 |
36 |
|
[NH2]J:208 |
1 |
1 |
117 |
c |
[ACE]I:201 |
x,y,z |
1_555 |
3 |
1 |
172 |
20.3 |
0.2 |
0.923 |
0 |
0 |
0 |
0.000 |
Average: |
20.4 |
0.2 |
0.923 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
[NH2]J:208 |
1 |
1 |
117 |
◊ |
I |
x,y,z |
1_555 |
4 |
1 |
1058 |
19.1 |
0.3 |
0.961 |
0 |
0 |
0 |
0.000 |
38 |
|
[NH2]I:208 |
1 |
1 |
117 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
1059 |
18.9 |
0.3 |
0.963 |
0 |
0 |
0 |
0.000 |
Average: |
19.0 |
0.3 |
0.962 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
B |
5 |
3 |
7065 |
◊ |
[NH2]I:208 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
117 |
18.5 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
40 |
|
[NH2]J:208 |
1 |
1 |
117 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
5 |
3 |
7064 |
18.2 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
Average: |
18.4 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
22 |
41 |
|
[ACE]J:201 |
2 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7064 |
8.5 |
0.1 |
0.900 |
0 |
0 |
0 |
0.000 |
42 |
|
[ACE]I:201 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7065 |
8.5 |
0.1 |
0.900 |
0 |
0 |
0 |
0.000 |
Average: |
8.5 |
0.1 |
0.900 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
[NH2]I:208 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7064 |
7.9 |
0.3 |
0.955 |
0 |
0 |
0 |
0.000 |
44 |
|
[NH2]J:208 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7065 |
7.8 |
0.3 |
0.955 |
0 |
0 |
0 |
0.000 |
Average: |
7.9 |
0.3 |
0.955 |
0 |
0 |
0 |
0.000 |
|