## |
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 |
73 |
19 |
23616 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
22872 |
632.1 |
1.6 |
0.846 |
5 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
58 |
17 |
22872 |
x |
A |
x-y,x,z-1/6 |
2_554 |
65 |
17 |
22872 |
582.2 |
-3.7 |
0.389 |
4 |
3 |
0 |
0.000 |
3 |
|
B |
54 |
14 |
23616 |
x |
B |
x-y,x,z-1/6 |
2_554 |
63 |
18 |
23616 |
561.8 |
-3.7 |
0.376 |
7 |
3 |
0 |
0.000 |
Average: |
572.0 |
-3.7 |
0.383 |
6 |
3 |
0 |
0.000 |
3 |
4 |
|
[1YY]B:716 |
34 |
1 |
701 |
f |
B |
x,y,z |
1_555 |
83 |
29 |
23616 |
526.0 |
1.5 |
0.409 |
10 |
0 |
0 |
0.021 |
5 |
|
[1YY]A:714 |
33 |
1 |
694 |
f |
A |
x,y,z |
1_555 |
82 |
30 |
22872 |
515.0 |
0.8 |
0.355 |
9 |
0 |
0 |
0.021 |
Average: |
520.5 |
1.1 |
0.382 |
10 |
0 |
0 |
0.021 |
4 |
6 |
|
[S6P]A:713 |
16 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
52 |
22 |
22872 |
285.6 |
-2.7 |
0.669 |
16 |
0 |
0 |
0.064 |
7 |
|
[S6P]B:715 |
16 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
50 |
23 |
23616 |
285.3 |
-3.8 |
0.624 |
14 |
0 |
0 |
0.064 |
Average: |
285.5 |
-3.3 |
0.647 |
15 |
0 |
0 |
0.064 |
5 |
8 |
|
B |
25 |
8 |
23616 |
◊ |
A |
-x,-y-1,z-1/2 |
4_544 |
22 |
7 |
22872 |
205.5 |
0.2 |
0.701 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
[GOL]A:715 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
22872 |
129.6 |
-1.2 |
0.430 |
0 |
0 |
0 |
0.008 |
7 |
10 |
|
[GOL]B:717 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
23616 |
112.6 |
-0.8 |
0.444 |
2 |
0 |
0 |
0.003 |
8 |
11 |
|
B |
9 |
4 |
23616 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
4 |
22872 |
104.2 |
-1.8 |
0.217 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[IOD]A:702 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
22872 |
100.0 |
-0.6 |
0.661 |
0 |
0 |
0 |
0.004 |
13 |
|
[IOD]B:702 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
23616 |
98.9 |
-0.5 |
0.655 |
0 |
0 |
0 |
0.004 |
Average: |
99.5 |
-0.5 |
0.658 |
0 |
0 |
0 |
0.004 |
10 |
14 |
|
[SO4]B:718 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
23616 |
99.5 |
-13.4 |
0.781 |
1 |
0 |
0 |
0.029 |
11 |
15 |
|
[IOD]A:705 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
22872 |
98.8 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
16 |
|
[IOD]B:704 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
23616 |
91.2 |
-0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
Average: |
95.0 |
0.0 |
0.771 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[IOD]A:701 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
22872 |
89.8 |
0.0 |
0.767 |
0 |
0 |
0 |
0.000 |
18 |
|
[IOD]B:701 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
23616 |
86.8 |
0.1 |
0.786 |
0 |
0 |
0 |
0.000 |
Average: |
88.3 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[IOD]B:710 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23616 |
86.2 |
-0.3 |
0.641 |
0 |
0 |
0 |
0.000 |
20 |
|
[IOD]A:712 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22872 |
83.7 |
0.1 |
0.792 |
0 |
0 |
0 |
0.000 |
Average: |
84.9 |
-0.1 |
0.716 |
0 |
0 |
0 |
0.001 |
14 |
21 |
|
[IOD]B:708 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23616 |
82.1 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
22 |
|
[IOD]A:707 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
22872 |
77.5 |
-0.1 |
0.725 |
0 |
0 |
0 |
0.000 |
Average: |
79.8 |
-0.1 |
0.716 |
0 |
0 |
0 |
0.001 |
15 |
23 |
|
[IOD]B:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
23616 |
81.4 |
-0.4 |
0.651 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[IOD]B:706 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23616 |
79.7 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
25 |
|
[IOD]A:706 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
22872 |
77.5 |
-0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
Average: |
78.6 |
-0.0 |
0.765 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[SO4]B:719 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
23616 |
78.5 |
-10.4 |
0.763 |
0 |
0 |
0 |
0.022 |
18 |
27 |
|
[IOD]B:714 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23616 |
77.4 |
-0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[IOD]B:709 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
23616 |
75.3 |
-0.1 |
0.722 |
0 |
0 |
0 |
0.002 |
29 |
|
[IOD]A:708 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22872 |
74.4 |
-0.3 |
0.659 |
0 |
0 |
0 |
0.002 |
Average: |
74.9 |
-0.2 |
0.691 |
0 |
0 |
0 |
0.002 |
20 |
30 |
|
[IOD]B:703 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23616 |
74.7 |
0.3 |
0.825 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]A:703 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
22872 |
73.2 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
Average: |
74.0 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[IOD]B:705 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
23616 |
72.1 |
-0.3 |
0.643 |
0 |
0 |
0 |
0.003 |
33 |
|
[IOD]A:704 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22872 |
69.2 |
-0.4 |
0.585 |
0 |
0 |
0 |
0.003 |
Average: |
70.7 |
-0.4 |
0.614 |
0 |
0 |
0 |
0.003 |
22 |
34 |
|
[IOD]B:707 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
23616 |
67.6 |
-0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
35 |
|
[IOD]A:709 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22872 |
67.2 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
Average: |
67.4 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
[IOD]B:713 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23616 |
67.2 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
23616 |
64.8 |
-0.5 |
0.629 |
0 |
0 |
0 |
0.001 |
38 |
|
[IOD]A:711 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
22872 |
63.8 |
-0.2 |
0.710 |
0 |
0 |
0 |
0.001 |
Average: |
64.3 |
-0.3 |
0.670 |
0 |
0 |
0 |
0.001 |
25 |
39 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
22872 |
59.2 |
-0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
A |
7 |
3 |
22872 |
x |
A |
-y,x-y-1,z-1/3 |
3_544 |
6 |
3 |
22872 |
48.4 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
A |
9 |
4 |
22872 |
◊ |
[IOD]A:710 |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
144 |
43.8 |
0.2 |
0.824 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[IOD]B:709 |
1 |
1 |
144 |
◊ |
[IOD]A:708 |
x,y,z |
1_555 |
1 |
1 |
144 |
28.1 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[SO4]B:718 |
3 |
1 |
188 |
f |
[IOD]B:705 |
x,y,z |
1_555 |
1 |
1 |
144 |
24.8 |
-2.8 |
0.996 |
0 |
0 |
0 |
0.006 |
30 |
44 |
|
[IOD]B:709 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
22872 |
18.8 |
-0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]A:708 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
23616 |
14.8 |
-0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
Average: |
16.8 |
-0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[SO4]B:719 |
3 |
1 |
188 |
f |
[IOD]B:705 |
x,y,z |
1_555 |
1 |
1 |
144 |
15.1 |
-1.7 |
0.996 |
0 |
0 |
0 |
0.004 |
32 |
47 |
|
[GOL]A:715 |
2 |
1 |
221 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
22872 |
8.1 |
0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[SO4]B:719 |
1 |
1 |
188 |
f |
[SO4]B:718 |
x,y,z |
1_555 |
1 |
1 |
188 |
7.8 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.004 |
|