## |
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 |
|
C |
138 |
37 |
8663 |
◊ |
A |
x,y,z |
1_555 |
138 |
37 |
8641 |
1297.9 |
-16.6 |
0.146 |
9 |
0 |
0 |
0.158 |
2 |
|
D |
125 |
37 |
8423 |
◊ |
B |
x,y,z |
1_555 |
134 |
35 |
8445 |
1199.0 |
-13.4 |
0.235 |
4 |
1 |
0 |
0.158 |
Average: |
1248.5 |
-15.0 |
0.191 |
7 |
1 |
0 |
0.158 |
2 |
3 |
|
C |
76 |
20 |
8663 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
75 |
17 |
8641 |
701.6 |
-8.4 |
0.260 |
3 |
0 |
0 |
0.000 |
4 |
|
D |
71 |
17 |
8423 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
70 |
16 |
8445 |
650.7 |
-9.0 |
0.202 |
2 |
0 |
0 |
0.000 |
Average: |
676.1 |
-8.7 |
0.231 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
52 |
14 |
8663 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
66 |
16 |
8445 |
568.9 |
-5.0 |
0.329 |
8 |
8 |
0 |
0.008 |
4 |
6 |
|
C |
36 |
15 |
8663 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
12 |
8445 |
356.7 |
-3.7 |
0.334 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
25 |
6 |
8445 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
6 |
8423 |
217.9 |
-1.9 |
0.479 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
22 |
6 |
8663 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
7 |
8641 |
203.8 |
-1.7 |
0.471 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[SO4]A:1004 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
8641 |
132.1 |
-18.8 |
0.635 |
1 |
0 |
0 |
0.109 |
8 |
10 |
|
[SO4]A:1007 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
8663 |
105.4 |
-15.5 |
0.737 |
0 |
0 |
0 |
0.088 |
9 |
11 |
|
[SO4]A:1005 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8641 |
97.2 |
-15.5 |
0.693 |
8 |
0 |
0 |
0.108 |
10 |
12 |
|
[GOL]C:1006 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
8663 |
89.7 |
-0.1 |
0.498 |
3 |
0 |
0 |
0.008 |
11 |
13 |
|
[GOL]A:1006 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8641 |
87.8 |
-1.3 |
0.372 |
0 |
0 |
0 |
0.007 |
12 |
14 |
|
[SO4]D:1004 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
8423 |
86.9 |
-12.6 |
0.865 |
5 |
0 |
0 |
0.153 |
13 |
15 |
|
[SO4]C:1005 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
8663 |
86.8 |
-12.8 |
0.733 |
6 |
0 |
0 |
0.088 |
14 |
16 |
|
[SO4]B:1004 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8445 |
85.1 |
-12.7 |
0.768 |
4 |
0 |
0 |
0.149 |
15 |
17 |
|
[GOL]B:1005 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8445 |
84.3 |
-0.3 |
0.533 |
3 |
0 |
0 |
0.016 |
16 |
18 |
|
A |
7 |
4 |
8641 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
8445 |
70.7 |
0.9 |
0.794 |
0 |
1 |
0 |
0.000 |
17 |
19 |
|
C |
6 |
2 |
8663 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
4 |
8423 |
68.6 |
0.7 |
0.764 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
A |
7 |
3 |
8641 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
8423 |
62.3 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[SO4]D:1004 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
8445 |
56.4 |
-6.6 |
0.781 |
1 |
0 |
0 |
0.073 |
20 |
22 |
|
[SO4]C:1005 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8641 |
55.1 |
-6.9 |
0.688 |
1 |
0 |
0 |
0.042 |
21 |
23 |
|
[SO4]A:1007 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8641 |
50.7 |
-6.6 |
0.482 |
0 |
0 |
0 |
0.037 |
22 |
24 |
|
[CA]A:1003 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
8641 |
45.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.131 |
25 |
|
[CA]B:1003 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8445 |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
44.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.131 |
23 |
26 |
|
[SO4]B:1004 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8423 |
44.2 |
-5.1 |
0.864 |
1 |
0 |
0 |
0.057 |
24 |
27 |
|
[CA]A:1002 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8641 |
44.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.262 |
28 |
|
[CA]B:1002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8445 |
43.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.262 |
29 |
|
[CA]D:1002 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8423 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.262 |
30 |
|
[CA]C:1002 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
8663 |
40.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.262 |
Average: |
42.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.262 |
25 |
31 |
|
[SO4]A:1005 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
8663 |
43.3 |
-5.2 |
0.822 |
0 |
0 |
0 |
0.030 |
26 |
32 |
|
[CA]C:1004 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
8663 |
43.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.070 |
27 |
33 |
|
[CA]C:1003 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
8663 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.072 |
28 |
34 |
|
[SO4]A:1004 |
2 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8663 |
19.0 |
-2.7 |
0.349 |
0 |
0 |
0 |
0.015 |
29 |
35 |
|
C |
1 |
1 |
8663 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
8423 |
13.9 |
0.2 |
0.383 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
C |
2 |
1 |
8663 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
8423 |
13.4 |
0.3 |
0.552 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
B |
2 |
2 |
8445 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8641 |
10.4 |
-0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[CA]C:1002 |
1 |
1 |
85 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
8445 |
7.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
C |
1 |
1 |
8663 |
◊ |
[SO4]B:1004 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
184 |
3.3 |
-0.4 |
0.641 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
A |
1 |
1 |
8641 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
8423 |
2.4 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
A |
1 |
1 |
8641 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
8423 |
0.8 |
-0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
|