## |
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 |
276 |
75 |
15597 |
◊ |
A |
x,y,z |
1_555 |
282 |
76 |
15736 |
2543.7 |
-19.2 |
0.315 |
62 |
19 |
0 |
0.962 |
2 |
|
D |
275 |
74 |
15642 |
◊ |
C |
x,y,z |
1_555 |
285 |
74 |
15567 |
2538.4 |
-18.7 |
0.280 |
61 |
18 |
0 |
0.962 |
Average: |
2541.0 |
-18.9 |
0.298 |
62 |
19 |
0 |
0.962 |
2 |
3 |
|
D |
63 |
16 |
15642 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
15736 |
622.1 |
-11.1 |
0.046 |
10 |
1 |
0 |
0.148 |
4 |
|
C |
64 |
16 |
15567 |
◊ |
B |
x,y,z |
1_555 |
63 |
16 |
15597 |
609.4 |
-9.7 |
0.075 |
10 |
1 |
0 |
0.148 |
Average: |
615.8 |
-10.4 |
0.060 |
10 |
1 |
0 |
0.148 |
3 |
5 |
|
[COA]A:1001 |
38 |
1 |
983 |
◊ |
A |
x,y,z |
1_555 |
71 |
30 |
15736 |
537.9 |
3.6 |
0.475 |
3 |
0 |
0 |
0.000 |
6 |
|
[COA]C:3001 |
39 |
1 |
988 |
◊ |
C |
x,y,z |
1_555 |
63 |
29 |
15567 |
530.4 |
4.7 |
0.468 |
4 |
0 |
0 |
0.000 |
7 |
|
[COA]B:2001 |
39 |
1 |
987 |
◊ |
B |
x,y,z |
1_555 |
64 |
29 |
15597 |
527.1 |
3.3 |
0.346 |
3 |
0 |
0 |
0.000 |
8 |
|
[COA]D:4001 |
39 |
1 |
996 |
◊ |
D |
x,y,z |
1_555 |
63 |
29 |
15642 |
514.9 |
4.5 |
0.436 |
4 |
0 |
0 |
0.000 |
Average: |
527.6 |
4.0 |
0.431 |
4 |
0 |
0 |
0.000 |
4 |
9 |
|
A |
58 |
19 |
15736 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
56 |
17 |
15736 |
477.4 |
-3.5 |
0.474 |
5 |
1 |
0 |
0.000 |
10 |
|
B |
53 |
15 |
15597 |
x |
B |
-x,y-1/2,-z |
2_545 |
54 |
17 |
15597 |
467.1 |
-3.5 |
0.434 |
4 |
1 |
0 |
0.000 |
Average: |
472.2 |
-3.5 |
0.454 |
5 |
1 |
0 |
0.000 |
5 |
11 |
|
C |
42 |
12 |
15567 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
13 |
15567 |
347.0 |
-1.1 |
0.607 |
1 |
0 |
0 |
0.000 |
6 |
12 |
|
D |
30 |
10 |
15642 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
15597 |
274.2 |
-2.4 |
0.389 |
5 |
0 |
0 |
0.023 |
7 |
13 |
|
C |
32 |
10 |
15567 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
15736 |
263.1 |
-1.8 |
0.480 |
4 |
0 |
0 |
0.018 |
8 |
14 |
|
C |
30 |
9 |
15567 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
15642 |
213.1 |
-1.6 |
0.430 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[SO4]B:5006 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15597 |
88.2 |
-12.4 |
0.800 |
2 |
0 |
0 |
0.108 |
10 |
16 |
|
D |
8 |
3 |
15642 |
◊ |
C |
x-1,y,z |
1_455 |
11 |
3 |
15567 |
85.4 |
0.5 |
0.704 |
3 |
1 |
0 |
0.000 |
11 |
17 |
|
[SO4]A:5005 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15736 |
83.2 |
-12.0 |
0.754 |
2 |
0 |
0 |
0.105 |
12 |
18 |
|
A |
12 |
4 |
15736 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
4 |
15597 |
77.9 |
0.7 |
0.757 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[SO4]B:5003 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15597 |
75.3 |
-10.3 |
0.850 |
3 |
0 |
0 |
0.094 |
14 |
20 |
|
[SO4]A:5002 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15736 |
72.6 |
-9.6 |
0.887 |
3 |
0 |
0 |
0.088 |
15 |
21 |
|
[SO4]A:5004 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15736 |
65.7 |
-8.3 |
0.916 |
2 |
0 |
0 |
0.074 |
16 |
22 |
|
[SO4]B:5001 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15597 |
64.5 |
-7.6 |
0.957 |
2 |
0 |
0 |
0.069 |
17 |
23 |
|
[COA]A:1001 |
8 |
1 |
983 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
15642 |
47.3 |
-1.0 |
0.052 |
0 |
0 |
0 |
0.100 |
24 |
|
[COA]B:2001 |
8 |
1 |
987 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
15567 |
44.9 |
-0.8 |
0.113 |
0 |
0 |
0 |
0.100 |
25 |
|
[COA]D:4001 |
8 |
1 |
996 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15736 |
40.6 |
-0.8 |
0.124 |
0 |
0 |
0 |
0.100 |
26 |
|
[COA]C:3001 |
1 |
1 |
988 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
15597 |
21.5 |
-1.4 |
0.069 |
0 |
0 |
0 |
0.100 |
Average: |
38.6 |
-1.0 |
0.090 |
0 |
0 |
0 |
0.100 |
18 |
27 |
|
[SO4]B:5001 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
15736 |
25.0 |
-2.9 |
0.858 |
0 |
0 |
0 |
0.024 |
19 |
28 |
|
[SO4]A:5004 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15597 |
23.0 |
-2.3 |
0.863 |
0 |
0 |
0 |
0.018 |
20 |
29 |
|
A |
6 |
4 |
15736 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
4 |
15597 |
22.3 |
0.3 |
0.715 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
5 |
3 |
15736 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
3 |
15597 |
19.1 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
Average: |
20.7 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[COA]A:1001 |
3 |
1 |
983 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15567 |
14.6 |
-0.1 |
0.513 |
0 |
0 |
0 |
0.001 |
32 |
|
[COA]C:3001 |
2 |
1 |
988 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15736 |
4.1 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.001 |
Average: |
9.3 |
-0.1 |
0.516 |
0 |
0 |
0 |
0.001 |
22 |
33 |
|
[SO4]A:5004 |
3 |
1 |
188 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
15597 |
12.6 |
-0.8 |
0.956 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
A |
1 |
1 |
15736 |
◊ |
[SO4]B:5001 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
188 |
9.0 |
-1.2 |
0.428 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[COA]B:2001 |
1 |
1 |
987 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15736 |
3.6 |
-0.1 |
0.422 |
0 |
0 |
0 |
0.001 |
36 |
|
[COA]A:1001 |
1 |
1 |
983 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15597 |
2.4 |
-0.1 |
0.450 |
0 |
0 |
0 |
0.001 |
37 |
|
[COA]C:3001 |
1 |
1 |
988 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15642 |
2.3 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.001 |
38 |
|
[COA]D:4001 |
1 |
1 |
996 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15567 |
0.5 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.001 |
Average: |
2.2 |
-0.1 |
0.473 |
0 |
0 |
0 |
0.001 |
|