## |
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 |
65 |
15 |
6258 |
◊ |
A |
-x,-y+2,z |
2_575 |
66 |
18 |
6229 |
577.2 |
-2.0 |
0.429 |
3 |
2 |
0 |
0.057 |
2 |
|
C |
62 |
14 |
6365 |
◊ |
B |
x,y,z |
1_555 |
65 |
18 |
6292 |
555.0 |
-2.6 |
0.315 |
6 |
1 |
0 |
0.057 |
Average: |
566.1 |
-2.3 |
0.372 |
5 |
2 |
0 |
0.057 |
2 |
3 |
|
D |
56 |
20 |
6258 |
◊ |
B |
x,y,z |
1_555 |
55 |
19 |
6292 |
516.0 |
-3.0 |
0.343 |
6 |
0 |
0 |
0.047 |
4 |
|
C |
57 |
20 |
6365 |
◊ |
A |
-x,-y+2,z |
2_575 |
54 |
19 |
6229 |
497.8 |
-2.1 |
0.456 |
3 |
0 |
0 |
0.047 |
Average: |
506.9 |
-2.6 |
0.400 |
5 |
0 |
0 |
0.047 |
3 |
5 |
|
C |
61 |
13 |
6365 |
◊ |
A |
x-1/2,-y+5/2,-z |
4_475 |
58 |
13 |
6229 |
515.9 |
-0.1 |
0.588 |
4 |
8 |
0 |
0.002 |
4 |
6 |
|
D |
58 |
12 |
6258 |
◊ |
B |
x-1/2,-y+5/2,-z+1 |
4_476 |
54 |
14 |
6292 |
473.8 |
0.0 |
0.570 |
3 |
4 |
0 |
0.000 |
5 |
7 |
|
D |
50 |
13 |
6258 |
◊ |
D |
-x,-y+2,z |
2_575 |
50 |
13 |
6258 |
431.6 |
2.4 |
0.749 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
[8SE]A:201 |
35 |
1 |
862 |
f |
A |
x,y,z |
1_555 |
51 |
14 |
6229 |
389.9 |
-1.9 |
0.493 |
1 |
0 |
0 |
0.113 |
9 |
|
[8SE]D:201 |
34 |
1 |
861 |
f |
D |
x,y,z |
1_555 |
49 |
13 |
6258 |
381.2 |
-3.3 |
0.366 |
2 |
0 |
0 |
0.113 |
10 |
|
[8SE]B:201 |
33 |
1 |
857 |
f |
B |
x,y,z |
1_555 |
46 |
14 |
6292 |
378.3 |
-3.0 |
0.345 |
2 |
0 |
0 |
0.113 |
11 |
|
[8SE]C:201 |
34 |
1 |
850 |
f |
C |
x,y,z |
1_555 |
52 |
13 |
6365 |
376.5 |
-3.1 |
0.378 |
2 |
0 |
0 |
0.113 |
Average: |
381.5 |
-2.8 |
0.395 |
2 |
0 |
0 |
0.113 |
7 |
12 |
|
B |
32 |
10 |
6292 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
6229 |
345.5 |
-0.2 |
0.514 |
3 |
0 |
0 |
0.008 |
8 |
13 |
|
[8SB]B:202 |
32 |
1 |
841 |
◊ |
B |
x,y,z |
1_555 |
38 |
10 |
6292 |
282.8 |
-3.6 |
0.271 |
1 |
0 |
0 |
0.043 |
9 |
14 |
|
[8SB]B:202 |
18 |
1 |
841 |
◊ |
A |
x,y,z |
1_555 |
31 |
8 |
6229 |
204.4 |
1.9 |
0.655 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
19 |
5 |
6365 |
x |
C |
x-1/2,-y+5/2,-z |
4_475 |
26 |
9 |
6365 |
196.7 |
-2.1 |
0.303 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[8SB]B:202 |
17 |
1 |
841 |
f |
C |
x,y,z |
1_555 |
26 |
8 |
6365 |
169.7 |
-5.6 |
0.217 |
0 |
0 |
0 |
0.077 |
12 |
17 |
|
D |
12 |
4 |
6258 |
◊ |
A |
x-1/2,-y+5/2,-z+1 |
4_476 |
19 |
6 |
6229 |
149.6 |
-2.4 |
0.198 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[8SE]D:201 |
12 |
1 |
861 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
6292 |
130.5 |
2.8 |
0.631 |
1 |
0 |
0 |
0.000 |
19 |
|
[8SE]B:201 |
13 |
1 |
857 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
6258 |
128.9 |
2.7 |
0.643 |
0 |
0 |
0 |
0.000 |
20 |
|
[8SE]A:201 |
13 |
1 |
862 |
◊ |
C |
-x,-y+2,z |
2_575 |
18 |
7 |
6365 |
126.5 |
2.5 |
0.701 |
0 |
0 |
0 |
0.000 |
21 |
|
[8SE]C:201 |
12 |
1 |
850 |
◊ |
A |
-x,-y+2,z |
2_575 |
16 |
6 |
6229 |
115.6 |
2.5 |
0.652 |
0 |
0 |
0 |
0.000 |
Average: |
125.4 |
2.6 |
0.657 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
D |
17 |
6 |
6258 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
6365 |
106.9 |
0.1 |
0.593 |
2 |
0 |
0 |
0.011 |
15 |
23 |
|
C |
13 |
4 |
6365 |
◊ |
C |
-x,-y+2,z |
2_575 |
13 |
4 |
6365 |
106.4 |
0.5 |
0.664 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[SO4]B:205 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
6292 |
105.8 |
-14.8 |
0.727 |
2 |
0 |
0 |
0.165 |
17 |
25 |
|
D |
12 |
4 |
6258 |
◊ |
[8SE]B:201 |
x-1/2,-y+5/2,-z+1 |
4_476 |
8 |
1 |
857 |
104.4 |
-2.7 |
0.275 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[8SE]C:201 |
9 |
1 |
850 |
◊ |
A |
x-1/2,-y+5/2,-z |
4_475 |
15 |
6 |
6229 |
103.1 |
-2.5 |
0.307 |
0 |
0 |
0 |
0.003 |
27 |
|
C |
11 |
4 |
6365 |
◊ |
[8SE]A:201 |
x-1/2,-y+5/2,-z |
4_475 |
6 |
1 |
862 |
73.7 |
-2.0 |
0.292 |
0 |
0 |
0 |
0.003 |
Average: |
88.4 |
-2.2 |
0.299 |
0 |
0 |
0 |
0.003 |
19 |
28 |
|
[SO4]C:202 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
6365 |
102.0 |
-17.0 |
0.482 |
4 |
0 |
0 |
0.259 |
20 |
29 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6229 |
101.1 |
-16.2 |
0.574 |
4 |
0 |
0 |
0.256 |
21 |
30 |
|
D |
14 |
5 |
6258 |
x |
D |
-x-1/2,y-1/2,-z+1 |
3_446 |
11 |
4 |
6258 |
89.6 |
0.2 |
0.594 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
6229 |
87.2 |
-10.4 |
0.874 |
3 |
0 |
0 |
0.167 |
23 |
32 |
|
C |
9 |
3 |
6365 |
◊ |
[8SB]B:202 |
x-1/2,-y+5/2,-z |
4_475 |
10 |
1 |
841 |
80.1 |
0.6 |
0.460 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[8SE]D:201 |
6 |
1 |
861 |
◊ |
B |
x-1/2,-y+5/2,-z+1 |
4_476 |
11 |
3 |
6292 |
78.8 |
-2.1 |
0.261 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[8SE]B:201 |
10 |
1 |
857 |
◊ |
D |
-x,-y+2,z |
2_575 |
8 |
2 |
6258 |
77.8 |
1.6 |
0.679 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[SO4]A:202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6229 |
77.3 |
-9.9 |
0.782 |
3 |
0 |
0 |
0.160 |
27 |
36 |
|
[SO4]B:203 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
6292 |
75.4 |
-9.6 |
0.769 |
3 |
0 |
0 |
0.115 |
28 |
37 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6365 |
74.7 |
-10.2 |
0.703 |
2 |
0 |
0 |
0.152 |
29 |
38 |
|
[SO4]D:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
6258 |
73.6 |
-10.2 |
0.694 |
2 |
0 |
0 |
0.158 |
30 |
39 |
|
[8SE]C:201 |
10 |
1 |
850 |
◊ |
[8SE]A:201 |
x-1/2,-y+5/2,-z |
4_475 |
6 |
1 |
862 |
68.3 |
-3.3 |
0.211 |
0 |
0 |
0 |
0.002 |
31 |
40 |
|
C |
8 |
4 |
6365 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
8 |
3 |
6292 |
65.3 |
-0.9 |
0.312 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
A |
6 |
3 |
6229 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
10 |
4 |
6292 |
59.5 |
0.5 |
0.676 |
1 |
0 |
0 |
0.000 |
33 |
42 |
|
[SO4]B:204 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
6292 |
56.4 |
-6.8 |
0.852 |
2 |
0 |
0 |
0.081 |
34 |
43 |
|
[8SE]C:201 |
5 |
1 |
850 |
◊ |
C |
x-1/2,-y+5/2,-z |
4_475 |
6 |
3 |
6365 |
55.7 |
0.7 |
0.467 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[8SE]D:201 |
5 |
1 |
861 |
◊ |
[8SE]B:201 |
x-1/2,-y+5/2,-z+1 |
4_476 |
8 |
1 |
857 |
52.7 |
-2.0 |
0.250 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
A |
6 |
2 |
6229 |
◊ |
C |
-x+1/2,y-1/2,-z |
3_545 |
9 |
4 |
6365 |
50.5 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[CL]D:203 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
6258 |
46.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.175 |
47 |
|
[CL]D:203 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
6365 |
45.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.175 |
Average: |
46.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.175 |
38 |
48 |
|
[SO4]C:202 |
4 |
1 |
186 |
◊ |
C |
-x,-y+2,z |
2_575 |
5 |
3 |
6365 |
42.8 |
-5.0 |
0.710 |
1 |
0 |
0 |
0.028 |
39 |
49 |
|
[SO4]A:202 |
4 |
1 |
186 |
◊ |
C |
-x,-y+2,z |
2_575 |
9 |
5 |
6365 |
39.9 |
-4.6 |
0.852 |
2 |
0 |
0 |
0.028 |
40 |
50 |
|
[SO4]B:203 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
6258 |
39.6 |
-4.6 |
0.846 |
1 |
0 |
0 |
0.026 |
41 |
51 |
|
[SO4]B:203 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6365 |
35.2 |
-3.1 |
0.954 |
1 |
0 |
0 |
0.037 |
42 |
52 |
|
[SO4]A:202 |
4 |
1 |
186 |
◊ |
D |
-x,-y+2,z |
2_575 |
5 |
2 |
6258 |
35.2 |
-3.2 |
0.950 |
0 |
0 |
0 |
0.045 |
43 |
53 |
|
[8SB]B:202 |
4 |
1 |
841 |
◊ |
[8SE]A:201 |
x,y,z |
1_555 |
3 |
1 |
862 |
32.9 |
0.5 |
0.476 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
C |
5 |
2 |
6365 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6229 |
30.7 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
45 |
55 |
|
[SO4]D:202 |
3 |
1 |
185 |
◊ |
A |
-x,-y+2,z |
2_575 |
4 |
3 |
6229 |
27.8 |
-3.5 |
0.817 |
0 |
0 |
0 |
0.050 |
46 |
56 |
|
[SO4]C:203 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
6292 |
26.4 |
-3.3 |
0.820 |
0 |
0 |
0 |
0.034 |
47 |
57 |
|
[8SE]A:201 |
6 |
1 |
862 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6365 |
24.2 |
-0.5 |
0.447 |
0 |
0 |
0 |
0.002 |
48 |
58 |
|
[SO4]D:202 |
4 |
1 |
185 |
◊ |
[SO4]C:203 |
x,y,z |
1_555 |
4 |
1 |
187 |
21.2 |
-4.4 |
0.998 |
0 |
0 |
0 |
0.061 |
49 |
59 |
|
[SO4]B:203 |
3 |
1 |
187 |
◊ |
[8SE]D:201 |
x,y,z |
1_555 |
4 |
1 |
861 |
16.1 |
-1.2 |
0.786 |
0 |
0 |
0 |
0.006 |
50 |
60 |
|
[SO4]A:202 |
3 |
1 |
186 |
◊ |
[8SE]C:201 |
-x,-y+2,z |
2_575 |
3 |
1 |
850 |
12.9 |
-0.8 |
0.795 |
0 |
0 |
0 |
0.004 |
51 |
61 |
|
B |
1 |
1 |
6292 |
◊ |
A |
x-1/2,-y+5/2,-z+1 |
4_476 |
1 |
1 |
6229 |
9.6 |
0.2 |
0.788 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
D |
2 |
2 |
6258 |
◊ |
[8SE]D:201 |
-x-1/2,y-1/2,-z+1 |
3_446 |
2 |
1 |
861 |
7.5 |
0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[8SE]B:201 |
2 |
1 |
857 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6229 |
6.2 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
54 |
64 |
|
[SO4]C:203 |
1 |
1 |
187 |
◊ |
[SO4]B:203 |
x,y,z |
1_555 |
1 |
1 |
187 |
5.5 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.014 |
55 |
65 |
|
[SO4]D:202 |
1 |
1 |
185 |
◊ |
[SO4]A:202 |
-x,-y+2,z |
2_575 |
1 |
1 |
186 |
5.4 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.018 |
56 |
66 |
|
D |
1 |
1 |
6258 |
◊ |
B |
-x,-y+2,z |
2_575 |
1 |
1 |
6292 |
3.1 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[CL]D:203 |
1 |
1 |
125 |
◊ |
A |
-x,-y+2,z |
2_575 |
1 |
1 |
6229 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
68 |
|
[CL]D:203 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6292 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
58 |
69 |
|
[SO4]A:203 |
1 |
1 |
186 |
◊ |
D |
-x,-y+2,z |
2_575 |
1 |
1 |
6258 |
1.0 |
-0.1 |
0.822 |
0 |
0 |
0 |
0.002 |
|