## |
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 |
|
A |
65 |
16 |
22697 |
x |
A |
x-y,x,z-1/6 |
2_554 |
59 |
18 |
22697 |
587.9 |
-3.8 |
0.374 |
4 |
2 |
0 |
0.000 |
2 |
|
B |
54 |
18 |
23443 |
x |
B |
x-y,x,z-1/6 |
2_554 |
53 |
14 |
23443 |
550.3 |
-3.2 |
0.376 |
5 |
3 |
0 |
0.000 |
Average: |
569.1 |
-3.5 |
0.375 |
5 |
3 |
0 |
0.000 |
2 |
3 |
|
B |
69 |
19 |
23443 |
◊ |
A |
x,y,z |
1_555 |
66 |
18 |
22697 |
582.8 |
4.0 |
0.939 |
5 |
3 |
0 |
0.000 |
3 |
4 |
|
[2WZ]B:701 |
33 |
1 |
718 |
f |
B |
x,y,z |
1_555 |
85 |
28 |
23443 |
532.5 |
-3.2 |
0.435 |
6 |
0 |
0 |
0.017 |
5 |
|
[2WZ]A:701 |
34 |
1 |
716 |
f |
A |
x,y,z |
1_555 |
82 |
28 |
22697 |
529.5 |
-2.1 |
0.515 |
8 |
0 |
0 |
0.017 |
Average: |
531.0 |
-2.7 |
0.475 |
7 |
0 |
0 |
0.017 |
4 |
6 |
|
[S6P]B:702 |
16 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
46 |
22 |
23443 |
288.1 |
-3.7 |
0.604 |
16 |
0 |
0 |
0.031 |
7 |
|
[S6P]A:702 |
16 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
47 |
22 |
22697 |
285.2 |
-2.9 |
0.665 |
17 |
0 |
0 |
0.031 |
Average: |
286.7 |
-3.3 |
0.635 |
17 |
0 |
0 |
0.031 |
5 |
8 |
|
A |
20 |
7 |
22697 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
25 |
8 |
23443 |
205.9 |
-0.3 |
0.640 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[GOL]B:719 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
23443 |
149.0 |
0.5 |
0.660 |
5 |
0 |
0 |
0.002 |
7 |
10 |
|
[GOL]A:718 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
22697 |
127.7 |
-1.4 |
0.375 |
3 |
0 |
0 |
0.008 |
8 |
11 |
|
[GOL]B:720 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
23443 |
116.8 |
-1.9 |
0.354 |
0 |
0 |
0 |
0.002 |
9 |
12 |
|
[SO4]B:724 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
23443 |
102.4 |
-14.1 |
0.808 |
2 |
0 |
0 |
0.019 |
10 |
13 |
|
A |
8 |
3 |
22697 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
4 |
23443 |
101.4 |
-1.1 |
0.330 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[IOD]B:704 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
23443 |
98.3 |
-0.5 |
0.667 |
0 |
0 |
0 |
0.004 |
15 |
|
[IOD]A:704 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
22697 |
97.7 |
-1.3 |
0.427 |
0 |
0 |
0 |
0.004 |
Average: |
98.0 |
-0.9 |
0.547 |
0 |
0 |
0 |
0.004 |
12 |
16 |
|
[IOD]A:707 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
22697 |
98.0 |
-0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
17 |
|
[IOD]B:706 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
23443 |
94.5 |
-0.2 |
0.719 |
0 |
0 |
0 |
0.000 |
Average: |
96.2 |
-0.2 |
0.713 |
0 |
0 |
0 |
0.001 |
13 |
18 |
|
[SO4]B:723 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
23443 |
93.2 |
-14.6 |
0.550 |
0 |
0 |
0 |
0.019 |
14 |
19 |
|
[IOD]A:703 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
22697 |
88.4 |
-0.0 |
0.767 |
0 |
0 |
0 |
0.000 |
20 |
|
[IOD]B:703 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
23443 |
85.3 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
Average: |
86.9 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[IOD]B:713 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
23443 |
88.0 |
-0.4 |
0.642 |
0 |
0 |
0 |
0.000 |
22 |
|
[IOD]A:716 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
22697 |
84.8 |
-0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
86.4 |
-0.3 |
0.668 |
0 |
0 |
0 |
0.001 |
16 |
23 |
|
[SO4]B:722 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23443 |
87.7 |
-12.8 |
0.637 |
1 |
0 |
0 |
0.017 |
17 |
24 |
|
[IOD]B:716 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23443 |
87.0 |
0.0 |
0.757 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[IOD]B:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23443 |
85.8 |
-0.6 |
0.579 |
0 |
0 |
0 |
0.002 |
26 |
|
[IOD]A:711 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
22697 |
84.3 |
-0.6 |
0.609 |
0 |
0 |
0 |
0.002 |
Average: |
85.0 |
-0.6 |
0.594 |
0 |
0 |
0 |
0.002 |
19 |
27 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
23443 |
85.6 |
0.2 |
0.802 |
0 |
0 |
0 |
0.000 |
28 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
22697 |
82.2 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
Average: |
83.9 |
0.1 |
0.799 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[IOD]B:705 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
23443 |
83.3 |
0.2 |
0.798 |
0 |
0 |
0 |
0.000 |
30 |
|
[IOD]A:705 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
22697 |
75.3 |
0.2 |
0.822 |
0 |
0 |
0 |
0.000 |
Average: |
79.3 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[SO4]A:719 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22697 |
81.9 |
-12.2 |
0.762 |
1 |
0 |
0 |
0.038 |
22 |
32 |
|
[IOD]B:708 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23443 |
81.3 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
33 |
|
[IOD]A:708 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
22697 |
78.0 |
0.0 |
0.784 |
0 |
0 |
0 |
0.000 |
Average: |
79.7 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[IOD]A:709 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
22697 |
80.7 |
-0.2 |
0.718 |
0 |
0 |
0 |
0.000 |
35 |
|
[IOD]B:710 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23443 |
79.1 |
-0.3 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
79.9 |
-0.2 |
0.695 |
0 |
0 |
0 |
0.001 |
24 |
36 |
|
[IOD]A:712 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
22697 |
80.3 |
0.1 |
0.804 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
23443 |
79.3 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
Average: |
79.8 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23443 |
80.1 |
0.3 |
0.835 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[IOD]B:717 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
23443 |
79.9 |
0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22697 |
77.6 |
-0.3 |
0.669 |
0 |
0 |
0 |
0.001 |
28 |
41 |
|
[IOD]A:706 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22697 |
71.2 |
-0.4 |
0.598 |
0 |
0 |
0 |
0.001 |
42 |
|
[IOD]B:707 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23443 |
69.5 |
-0.5 |
0.575 |
0 |
0 |
0 |
0.001 |
Average: |
70.3 |
-0.4 |
0.587 |
0 |
0 |
0 |
0.001 |
29 |
43 |
|
[SO4]B:721 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23443 |
70.9 |
-9.1 |
0.760 |
0 |
0 |
0 |
0.012 |
30 |
44 |
|
[IOD]A:713 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22697 |
65.4 |
0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]B:709 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23443 |
64.2 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
Average: |
64.8 |
0.0 |
0.752 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[IOD]A:717 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
22697 |
62.8 |
0.2 |
0.830 |
0 |
0 |
0 |
0.000 |
47 |
|
[IOD]B:718 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
23443 |
61.1 |
-0.5 |
0.510 |
0 |
0 |
0 |
0.000 |
Average: |
62.0 |
-0.2 |
0.670 |
0 |
0 |
0 |
0.001 |
32 |
48 |
|
[IOD]A:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
22697 |
59.2 |
-0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
[SO4]A:719 |
5 |
1 |
187 |
◊ |
A |
-y,x-y-1,z-1/3 |
3_544 |
5 |
2 |
22697 |
51.8 |
-6.7 |
0.514 |
1 |
0 |
0 |
0.000 |
34 |
50 |
|
A |
6 |
2 |
22697 |
x |
A |
-y,x-y-1,z-1/3 |
3_544 |
6 |
2 |
22697 |
44.7 |
0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
35 |
51 |
|
[IOD]A:714 |
1 |
1 |
144 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
7 |
3 |
22697 |
42.5 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
[2WZ]A:701 |
x,y,z |
1_555 |
2 |
1 |
716 |
26.8 |
1.0 |
0.920 |
0 |
0 |
0 |
0.000 |
53 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
[2WZ]B:701 |
x,y,z |
1_555 |
2 |
1 |
718 |
26.1 |
0.9 |
0.913 |
0 |
0 |
0 |
0.000 |
Average: |
26.5 |
0.9 |
0.916 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
[IOD]A:708 |
x,y,z |
1_555 |
1 |
1 |
144 |
23.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
[IOD]B:709 |
x,y,z |
1_555 |
1 |
1 |
144 |
20.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
56 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
[IOD]A:712 |
x,y,z |
1_555 |
1 |
1 |
144 |
20.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
57 |
|
[SO4]B:724 |
3 |
1 |
187 |
f |
[IOD]B:707 |
x,y,z |
1_555 |
1 |
1 |
144 |
20.3 |
-2.3 |
0.996 |
0 |
0 |
0 |
0.003 |
41 |
58 |
|
[SO4]B:721 |
2 |
1 |
187 |
f |
[IOD]B:707 |
x,y,z |
1_555 |
1 |
1 |
144 |
13.9 |
-1.6 |
0.980 |
0 |
0 |
0 |
0.002 |
42 |
59 |
|
[IOD]A:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
23443 |
7.8 |
-0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
60 |
|
[IOD]B:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
22697 |
6.2 |
0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
-0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
43 |
61 |
|
[GOL]B:720 |
2 |
1 |
218 |
◊ |
[IOD]B:714 |
x,y,z |
1_555 |
1 |
1 |
144 |
6.3 |
0.0 |
0.799 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
[GOL]A:718 |
2 |
1 |
222 |
◊ |
[IOD]A:712 |
x,y,z |
1_555 |
1 |
1 |
144 |
4.1 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
A |
2 |
1 |
22697 |
◊ |
B |
-y,x-y-1,z-1/3 |
3_544 |
1 |
1 |
23443 |
3.6 |
-0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
46 |
64 |
|
A |
1 |
1 |
22697 |
◊ |
[IOD]A:711 |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
144 |
2.2 |
0.0 |
0.865 |
0 |
0 |
0 |
0.000 |
47 |
65 |
|
[SO4]B:724 |
1 |
1 |
187 |
f |
[SO4]B:721 |
x,y,z |
1_555 |
1 |
1 |
187 |
1.7 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
|