## |
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 |
72 |
19 |
23448 |
◊ |
A |
x,y,z |
1_555 |
75 |
21 |
22880 |
619.5 |
0.3 |
0.807 |
4 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
58 |
17 |
22880 |
x |
A |
x-y,x,z-1/6 |
2_554 |
63 |
17 |
22880 |
595.1 |
-3.5 |
0.429 |
7 |
3 |
0 |
0.000 |
3 |
|
B |
57 |
17 |
23448 |
x |
B |
x-y,x,z-1/6 |
2_554 |
59 |
17 |
23448 |
567.2 |
-3.3 |
0.353 |
6 |
3 |
0 |
0.000 |
Average: |
581.1 |
-3.4 |
0.391 |
7 |
3 |
0 |
0.000 |
3 |
4 |
|
[2UW]B:701 |
28 |
1 |
600 |
f |
B |
x,y,z |
1_555 |
69 |
27 |
23448 |
438.3 |
-2.2 |
0.352 |
6 |
0 |
0 |
0.024 |
5 |
|
[2UW]A:701 |
28 |
1 |
603 |
f |
A |
x,y,z |
1_555 |
65 |
26 |
22880 |
437.9 |
-2.2 |
0.343 |
4 |
0 |
0 |
0.024 |
Average: |
438.1 |
-2.2 |
0.347 |
5 |
0 |
0 |
0.024 |
4 |
6 |
|
[S6P]B:702 |
16 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
50 |
22 |
23448 |
283.8 |
-3.9 |
0.630 |
15 |
0 |
0 |
0.065 |
7 |
|
[S6P]A:702 |
16 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
49 |
22 |
22880 |
283.8 |
-4.0 |
0.639 |
15 |
0 |
0 |
0.065 |
Average: |
283.8 |
-3.9 |
0.635 |
15 |
0 |
0 |
0.065 |
5 |
8 |
|
B |
28 |
9 |
23448 |
◊ |
A |
-x,-y+1,z-1/2 |
4_564 |
22 |
8 |
22880 |
220.9 |
0.1 |
0.712 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[GOL]B:718 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
23448 |
150.6 |
0.4 |
0.651 |
5 |
0 |
0 |
0.004 |
7 |
10 |
|
[IOD]A:704 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
22880 |
102.7 |
-1.5 |
0.460 |
0 |
0 |
0 |
0.009 |
11 |
|
[IOD]B:704 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
23448 |
99.6 |
-0.6 |
0.620 |
0 |
0 |
0 |
0.009 |
Average: |
101.1 |
-1.0 |
0.540 |
0 |
0 |
0 |
0.009 |
8 |
12 |
|
[SO4]B:720 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23448 |
98.0 |
-13.5 |
0.743 |
1 |
0 |
0 |
0.031 |
9 |
13 |
|
[IOD]A:707 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
22880 |
96.8 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
14 |
|
[IOD]B:706 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
23448 |
89.4 |
-0.3 |
0.683 |
0 |
0 |
0 |
0.000 |
Average: |
93.1 |
-0.1 |
0.743 |
0 |
0 |
0 |
0.001 |
10 |
15 |
|
B |
9 |
3 |
23448 |
◊ |
A |
x,y,z-1 |
1_554 |
14 |
4 |
22880 |
96.7 |
-2.6 |
0.122 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[IOD]B:716 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
23448 |
88.8 |
-0.0 |
0.761 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[IOD]A:703 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
22880 |
88.6 |
-0.0 |
0.773 |
0 |
0 |
0 |
0.000 |
18 |
|
[IOD]B:703 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
23448 |
85.5 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
Average: |
87.0 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
22880 |
86.4 |
-0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
20 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
23448 |
85.1 |
0.3 |
0.820 |
0 |
0 |
0 |
0.000 |
Average: |
85.8 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[IOD]B:713 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23448 |
86.1 |
-0.4 |
0.600 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23448 |
83.7 |
0.3 |
0.824 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[IOD]B:708 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23448 |
80.7 |
-0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
24 |
|
[IOD]A:708 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
22880 |
78.5 |
0.0 |
0.800 |
0 |
0 |
0 |
0.000 |
Average: |
79.6 |
-0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[IOD]B:710 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
23448 |
79.8 |
-0.1 |
0.732 |
0 |
0 |
0 |
0.000 |
26 |
|
[IOD]A:709 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
22880 |
76.2 |
-0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
Average: |
78.0 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.001 |
18 |
27 |
|
[IOD]A:711 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
22880 |
78.1 |
0.0 |
0.778 |
0 |
0 |
0 |
0.000 |
28 |
|
[IOD]B:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
23448 |
76.4 |
-0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
Average: |
77.2 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
22880 |
77.2 |
-0.4 |
0.672 |
0 |
0 |
0 |
0.002 |
20 |
30 |
|
[IOD]B:705 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23448 |
76.8 |
0.2 |
0.809 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]A:705 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
22880 |
76.0 |
0.2 |
0.819 |
0 |
0 |
0 |
0.000 |
Average: |
76.4 |
0.2 |
0.814 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[IOD]B:707 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
23448 |
75.8 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.002 |
33 |
|
[IOD]A:706 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22880 |
70.6 |
-0.3 |
0.665 |
0 |
0 |
0 |
0.002 |
Average: |
73.2 |
-0.3 |
0.659 |
0 |
0 |
0 |
0.002 |
22 |
34 |
|
[SO4]B:719 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
23448 |
75.5 |
-9.7 |
0.776 |
0 |
0 |
0 |
0.022 |
23 |
35 |
|
[IOD]A:712 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22880 |
73.6 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
36 |
|
[IOD]B:714 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
23448 |
70.9 |
-0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
72.3 |
-0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[IOD]B:717 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
23448 |
72.9 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[IOD]A:713 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22880 |
68.5 |
0.3 |
0.838 |
0 |
0 |
0 |
0.000 |
39 |
|
[IOD]B:709 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23448 |
67.7 |
-0.1 |
0.711 |
0 |
0 |
0 |
0.000 |
Average: |
68.1 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[IOD]A:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22880 |
59.0 |
-0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
A |
9 |
4 |
22880 |
◊ |
[IOD]A:714 |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
144 |
43.2 |
0.2 |
0.839 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
[IOD]A:712 |
x,y,z |
1_555 |
1 |
1 |
144 |
30.7 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
[2UW]B:701 |
x,y,z |
1_555 |
1 |
1 |
600 |
29.2 |
-0.4 |
0.378 |
0 |
0 |
0 |
0.001 |
44 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
[2UW]A:701 |
x,y,z |
1_555 |
4 |
1 |
603 |
25.2 |
-0.2 |
0.539 |
0 |
0 |
0 |
0.001 |
Average: |
27.2 |
-0.3 |
0.458 |
0 |
0 |
0 |
0.001 |
30 |
45 |
|
A |
5 |
3 |
22880 |
x |
A |
-y,x-y+1,z-1/3 |
3_564 |
5 |
3 |
22880 |
28.0 |
0.5 |
0.752 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22880 |
23.4 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
47 |
|
[IOD]A:712 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
23448 |
20.3 |
-0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
Average: |
21.9 |
-0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
[IOD]B:709 |
x,y,z |
1_555 |
1 |
1 |
144 |
22.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
[IOD]A:708 |
x,y,z |
1_555 |
1 |
1 |
144 |
20.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[SO4]B:719 |
3 |
1 |
188 |
f |
[IOD]B:707 |
x,y,z |
1_555 |
1 |
1 |
144 |
16.6 |
-1.8 |
0.996 |
0 |
0 |
0 |
0.004 |
35 |
51 |
|
[IOD]A:709 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
23448 |
6.5 |
-0.1 |
0.510 |
0 |
0 |
0 |
0.000 |
36 |
52 |
|
A |
1 |
1 |
22880 |
◊ |
B |
-y,x-y+1,z+2/3 |
3_565 |
1 |
1 |
23448 |
2.1 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
|