## |
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 |
23291 |
◊ |
A |
x,y,z |
1_555 |
65 |
18 |
23222 |
597.4 |
2.3 |
0.874 |
6 |
3 |
0 |
0.000 |
2 |
2 |
|
A |
66 |
17 |
23222 |
x |
A |
x-y,x,z-1/6 |
2_554 |
66 |
17 |
23222 |
597.2 |
-2.6 |
0.468 |
6 |
4 |
0 |
0.000 |
3 |
|
B |
55 |
18 |
23291 |
x |
B |
x-y,x,z-1/6 |
2_554 |
53 |
14 |
23291 |
539.4 |
-3.3 |
0.362 |
5 |
4 |
0 |
0.000 |
Average: |
568.3 |
-3.0 |
0.415 |
6 |
4 |
0 |
0.000 |
3 |
4 |
|
[2Y6]A:701 |
31 |
1 |
696 |
f |
A |
x,y,z |
1_555 |
80 |
27 |
23222 |
521.4 |
-2.7 |
0.478 |
5 |
0 |
0 |
0.030 |
5 |
|
[2Y6]B:701 |
31 |
1 |
693 |
f |
B |
x,y,z |
1_555 |
88 |
28 |
23291 |
518.0 |
-1.8 |
0.546 |
4 |
0 |
0 |
0.030 |
Average: |
519.7 |
-2.3 |
0.512 |
5 |
0 |
0 |
0.030 |
4 |
6 |
|
[S6P]B:702 |
16 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
48 |
21 |
23291 |
285.7 |
-4.0 |
0.620 |
17 |
0 |
0 |
0.060 |
7 |
|
[S6P]A:702 |
16 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
48 |
22 |
23222 |
282.6 |
-4.1 |
0.613 |
13 |
0 |
0 |
0.060 |
Average: |
284.2 |
-4.0 |
0.617 |
15 |
0 |
0 |
0.060 |
5 |
8 |
|
A |
22 |
9 |
23222 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
27 |
11 |
23291 |
235.0 |
-0.0 |
0.669 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[GOL]B:719 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
23291 |
151.1 |
0.3 |
0.651 |
5 |
0 |
0 |
0.003 |
7 |
10 |
|
[GOL]B:720 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
23291 |
122.1 |
-1.2 |
0.392 |
3 |
0 |
0 |
0.004 |
8 |
11 |
|
[IOD]A:704 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
23222 |
101.0 |
-0.5 |
0.668 |
0 |
0 |
0 |
0.003 |
12 |
|
[IOD]B:704 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
23291 |
99.3 |
-0.5 |
0.658 |
0 |
0 |
0 |
0.003 |
Average: |
100.2 |
-0.5 |
0.663 |
0 |
0 |
0 |
0.003 |
9 |
13 |
|
[IOD]A:707 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
23222 |
94.9 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
14 |
|
[IOD]B:706 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
23291 |
92.3 |
0.1 |
0.792 |
0 |
0 |
0 |
0.000 |
Average: |
93.6 |
0.0 |
0.761 |
0 |
0 |
0 |
0.001 |
10 |
15 |
|
[SO4]B:723 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
23291 |
92.0 |
-14.3 |
0.559 |
0 |
0 |
0 |
0.023 |
11 |
16 |
|
[SO4]B:722 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23291 |
91.3 |
-13.2 |
0.651 |
2 |
0 |
0 |
0.023 |
12 |
17 |
|
[IOD]B:713 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
23291 |
87.7 |
0.0 |
0.771 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
23291 |
87.5 |
-0.8 |
0.551 |
0 |
0 |
0 |
0.001 |
19 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
23222 |
86.5 |
-0.1 |
0.732 |
0 |
0 |
0 |
0.001 |
Average: |
87.0 |
-0.4 |
0.642 |
0 |
0 |
0 |
0.001 |
14 |
20 |
|
[IOD]A:703 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
23222 |
87.4 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
21 |
|
[IOD]B:703 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23291 |
86.8 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
Average: |
87.1 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[IOD]B:716 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
23291 |
83.6 |
-0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[IOD]B:708 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23291 |
83.4 |
0.3 |
0.818 |
0 |
0 |
0 |
0.000 |
24 |
|
[IOD]A:708 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
23222 |
79.1 |
-0.0 |
0.762 |
0 |
0 |
0 |
0.000 |
Average: |
81.2 |
0.1 |
0.790 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[IOD]B:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
23291 |
82.3 |
-0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
26 |
|
[IOD]A:711 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
23222 |
80.9 |
0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
Average: |
81.6 |
-0.2 |
0.717 |
0 |
0 |
0 |
0.001 |
18 |
27 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
23291 |
81.6 |
0.3 |
0.819 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
23291 |
80.1 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
29 |
|
[IOD]A:712 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
23222 |
79.2 |
0.5 |
0.868 |
0 |
0 |
0 |
0.000 |
Average: |
79.7 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[IOD]A:709 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
23222 |
79.2 |
-0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]B:710 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23291 |
76.6 |
-0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
Average: |
77.9 |
-0.1 |
0.720 |
0 |
0 |
0 |
0.001 |
21 |
32 |
|
A |
6 |
3 |
23222 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
4 |
23291 |
78.4 |
0.4 |
0.730 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[IOD]A:705 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
23222 |
77.6 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
34 |
|
[IOD]B:705 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23291 |
76.0 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
Average: |
76.8 |
0.2 |
0.812 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
23222 |
76.8 |
-0.4 |
0.631 |
0 |
0 |
0 |
0.002 |
24 |
36 |
|
[SO4]B:721 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23291 |
75.2 |
-9.9 |
0.764 |
1 |
0 |
0 |
0.017 |
25 |
37 |
|
[IOD]B:717 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23291 |
74.5 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[IOD]B:707 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23291 |
70.7 |
-0.4 |
0.586 |
0 |
0 |
0 |
0.003 |
39 |
|
[IOD]A:706 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
23222 |
70.0 |
-0.4 |
0.557 |
0 |
0 |
0 |
0.003 |
Average: |
70.4 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.003 |
27 |
40 |
|
[IOD]A:713 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
23222 |
66.2 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
41 |
|
[IOD]B:709 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
23291 |
65.1 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
Average: |
65.7 |
0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
A |
11 |
4 |
23222 |
x |
A |
-y,x-y-1,z-1/3 |
3_544 |
8 |
4 |
23222 |
63.2 |
0.8 |
0.771 |
0 |
0 |
0 |
0.000 |
29 |
43 |
|
[IOD]B:718 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
23291 |
59.0 |
-0.4 |
0.606 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[IOD]A:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
23222 |
59.0 |
-0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[IOD]A:714 |
1 |
1 |
144 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
7 |
3 |
23222 |
42.3 |
0.2 |
0.834 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
[IOD]A:712 |
x,y,z |
1_555 |
1 |
1 |
144 |
22.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
[2Y6]A:701 |
x,y,z |
1_555 |
1 |
1 |
696 |
22.5 |
-0.3 |
0.539 |
0 |
0 |
0 |
0.002 |
48 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
[2Y6]B:701 |
x,y,z |
1_555 |
2 |
1 |
693 |
20.8 |
-0.3 |
0.573 |
0 |
0 |
0 |
0.002 |
Average: |
21.6 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.002 |
34 |
49 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
[IOD]B:709 |
x,y,z |
1_555 |
1 |
1 |
144 |
19.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
[IOD]A:708 |
x,y,z |
1_555 |
1 |
1 |
144 |
17.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
[SO4]B:721 |
2 |
1 |
186 |
f |
[IOD]B:707 |
x,y,z |
1_555 |
1 |
1 |
144 |
15.7 |
-1.9 |
0.980 |
0 |
0 |
0 |
0.003 |
37 |
52 |
|
[IOD]B:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
23222 |
13.2 |
0.1 |
0.836 |
0 |
0 |
0 |
0.000 |
53 |
|
[IOD]A:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
23291 |
8.1 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
Average: |
10.7 |
-0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
A |
1 |
1 |
23222 |
◊ |
B |
-y,x-y-1,z-1/3 |
3_544 |
2 |
1 |
23291 |
8.2 |
0.2 |
0.817 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
[IOD]A:709 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
23291 |
3.5 |
0.0 |
0.835 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
B |
2 |
2 |
23291 |
◊ |
A |
-y,x-y-1,z+2/3 |
3_545 |
2 |
2 |
23222 |
1.7 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
|