## |
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 |
|
D |
177 |
54 |
12499 |
◊ |
B |
x,y,z |
1_555 |
167 |
47 |
13049 |
1719.1 |
-22.3 |
0.017 |
17 |
4 |
0 |
0.206 |
2 |
|
C |
160 |
47 |
12941 |
◊ |
A |
x,y,z |
1_555 |
171 |
50 |
12531 |
1699.1 |
-21.9 |
0.016 |
22 |
6 |
0 |
0.206 |
Average: |
1709.1 |
-22.1 |
0.017 |
20 |
5 |
0 |
0.206 |
2 |
3 |
|
B |
75 |
21 |
13049 |
◊ |
A |
x,y,z |
1_555 |
74 |
17 |
12531 |
628.6 |
-13.5 |
0.014 |
1 |
0 |
0 |
0.097 |
4 |
|
D |
73 |
17 |
12499 |
◊ |
C |
x,y,z |
1_555 |
72 |
21 |
12941 |
622.5 |
-11.9 |
0.030 |
2 |
0 |
0 |
0.097 |
Average: |
625.6 |
-12.7 |
0.022 |
2 |
0 |
0 |
0.097 |
3 |
5 |
|
D |
51 |
13 |
12499 |
◊ |
C |
x,y-1,z |
1_545 |
54 |
13 |
12941 |
463.9 |
-2.2 |
0.462 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
56 |
14 |
12499 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
45 |
15 |
12531 |
424.5 |
3.5 |
0.856 |
5 |
2 |
0 |
0.000 |
5 |
7 |
|
A |
39 |
12 |
12531 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
50 |
15 |
12941 |
423.6 |
2.9 |
0.830 |
6 |
8 |
0 |
0.000 |
6 |
8 |
|
A |
39 |
12 |
12531 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
31 |
8 |
12531 |
320.3 |
-0.6 |
0.504 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
D |
31 |
8 |
12499 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
10 |
13049 |
317.7 |
-3.4 |
0.266 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
21 |
7 |
12941 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
10 |
12531 |
282.8 |
-1.4 |
0.436 |
3 |
0 |
0 |
0.000 |
Average: |
300.2 |
-2.4 |
0.351 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
41 |
12 |
13049 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
11 |
13049 |
313.5 |
0.8 |
0.586 |
4 |
1 |
0 |
0.000 |
9 |
12 |
|
[YGP]C:308 |
28 |
1 |
673 |
f |
C |
x,y,z |
1_555 |
34 |
11 |
12941 |
261.9 |
0.1 |
0.479 |
3 |
0 |
0 |
0.008 |
10 |
13 |
|
C |
28 |
9 |
12941 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
13049 |
257.6 |
-1.0 |
0.515 |
6 |
2 |
0 |
0.011 |
11 |
14 |
|
[YGP]B:307 |
29 |
1 |
652 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
13049 |
252.9 |
-1.2 |
0.251 |
2 |
0 |
0 |
0.015 |
12 |
15 |
|
D |
24 |
7 |
12499 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
27 |
8 |
13049 |
209.8 |
0.2 |
0.645 |
3 |
3 |
0 |
0.000 |
13 |
16 |
|
[YGP]B:307 |
21 |
1 |
652 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
12531 |
186.3 |
0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[YGP]C:308 |
17 |
1 |
673 |
◊ |
D |
x,y,z |
1_555 |
24 |
7 |
12499 |
165.4 |
0.8 |
0.512 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
D |
14 |
4 |
12499 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
12531 |
120.6 |
-0.4 |
0.545 |
0 |
0 |
0 |
0.001 |
16 |
19 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13049 |
107.1 |
-17.0 |
0.608 |
2 |
0 |
0 |
0.125 |
17 |
20 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
12531 |
107.0 |
-17.7 |
0.578 |
3 |
0 |
0 |
0.133 |
18 |
21 |
|
[SO4]C:303 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
12941 |
105.7 |
-16.3 |
0.645 |
2 |
0 |
0 |
0.119 |
19 |
22 |
|
[SO4]D:304 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
12499 |
99.5 |
-15.2 |
0.645 |
2 |
0 |
0 |
0.110 |
20 |
23 |
|
[SO4]D:303 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
12499 |
92.3 |
-15.5 |
0.662 |
5 |
0 |
0 |
0.122 |
21 |
24 |
|
[SO4]D:302 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
12499 |
87.0 |
-12.1 |
0.900 |
3 |
0 |
0 |
0.092 |
22 |
25 |
|
B |
11 |
4 |
13049 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
14 |
6 |
12531 |
84.8 |
0.9 |
0.738 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12531 |
84.2 |
-12.3 |
0.758 |
4 |
0 |
0 |
0.099 |
24 |
27 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13049 |
83.5 |
-12.5 |
0.736 |
4 |
0 |
0 |
0.100 |
25 |
28 |
|
[SO4]D:305 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
12499 |
83.0 |
-12.1 |
0.747 |
4 |
0 |
0 |
0.096 |
26 |
29 |
|
[SO4]C:305 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12941 |
79.2 |
-10.7 |
0.764 |
1 |
0 |
0 |
0.077 |
27 |
30 |
|
[SO4]B:306 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
13049 |
78.0 |
-11.2 |
0.718 |
1 |
0 |
0 |
0.082 |
28 |
31 |
|
[SO4]C:302 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12941 |
78.0 |
-11.4 |
0.702 |
4 |
0 |
0 |
0.091 |
29 |
32 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12531 |
75.5 |
-9.9 |
0.911 |
3 |
0 |
0 |
0.079 |
30 |
33 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
12941 |
75.4 |
-10.2 |
0.901 |
3 |
0 |
0 |
0.079 |
31 |
34 |
|
[SO4]B:302 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
12531 |
70.3 |
-8.2 |
0.776 |
2 |
0 |
0 |
0.064 |
32 |
35 |
|
A |
10 |
4 |
12531 |
f |
[SO4]C:307 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
185 |
69.7 |
-9.0 |
0.902 |
2 |
0 |
0 |
0.069 |
33 |
36 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13049 |
66.4 |
-8.7 |
0.736 |
5 |
0 |
0 |
0.077 |
34 |
37 |
|
C |
7 |
2 |
12941 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
2 |
13049 |
66.1 |
1.3 |
0.823 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[SO4]B:306 |
5 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
13049 |
61.0 |
-8.0 |
0.808 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
D |
9 |
1 |
12499 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
8 |
1 |
12941 |
59.4 |
0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
B |
10 |
4 |
13049 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
12941 |
57.7 |
0.7 |
0.731 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[SO4]C:306 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12941 |
55.5 |
-5.9 |
0.928 |
3 |
0 |
0 |
0.050 |
39 |
42 |
|
[SO4]D:304 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
13049 |
54.6 |
-6.9 |
0.360 |
0 |
0 |
0 |
0.041 |
40 |
43 |
|
[SO4]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
13049 |
46.0 |
-3.9 |
0.961 |
2 |
0 |
0 |
0.033 |
41 |
44 |
|
[SO4]C:305 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
12499 |
42.8 |
-5.2 |
0.830 |
0 |
0 |
0 |
0.036 |
42 |
45 |
|
[YGP]C:308 |
5 |
1 |
673 |
f |
[SO4]C:305 |
x,y,z |
1_555 |
4 |
1 |
184 |
42.0 |
-4.6 |
0.719 |
2 |
0 |
0 |
0.038 |
43 |
46 |
|
[SO4]C:307 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12941 |
39.5 |
-5.3 |
0.419 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[YGP]B:307 |
5 |
1 |
652 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
4 |
1 |
185 |
38.0 |
-3.8 |
0.685 |
2 |
0 |
0 |
0.033 |
45 |
48 |
|
[SO4]B:303 |
3 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
13049 |
36.0 |
-2.3 |
0.980 |
2 |
0 |
0 |
0.000 |
46 |
49 |
|
[SO4]C:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12531 |
33.2 |
-4.4 |
0.500 |
0 |
0 |
0 |
0.028 |
47 |
50 |
|
[SO4]B:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
12499 |
32.2 |
-4.3 |
0.380 |
0 |
0 |
0 |
0.025 |
48 |
51 |
|
[SO4]D:303 |
4 |
1 |
184 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
12941 |
31.4 |
-3.3 |
0.860 |
1 |
0 |
0 |
0.000 |
49 |
52 |
|
D |
4 |
2 |
12499 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
12941 |
28.8 |
-0.1 |
0.494 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
B |
2 |
2 |
13049 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
12531 |
27.8 |
0.6 |
0.827 |
1 |
0 |
0 |
0.000 |
51 |
54 |
|
[SO4]D:303 |
4 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
12531 |
16.9 |
-2.0 |
0.764 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
B |
1 |
1 |
13049 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
12941 |
6.3 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
A |
1 |
1 |
12531 |
◊ |
[SO4]A:302 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
186 |
5.8 |
-0.5 |
0.836 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
A |
1 |
1 |
12531 |
◊ |
[SO4]C:302 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
186 |
4.3 |
-0.4 |
0.897 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[YGP]C:308 |
1 |
1 |
673 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
12531 |
2.8 |
0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
|