## |
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 |
23544 |
◊ |
A |
x,y,z |
1_555 |
68 |
19 |
22928 |
609.9 |
2.8 |
0.901 |
5 |
3 |
0 |
0.000 |
2 |
2 |
|
A |
65 |
18 |
22928 |
x |
A |
x-y,x,z-1/6 |
2_554 |
54 |
17 |
22928 |
597.6 |
-4.3 |
0.323 |
7 |
3 |
0 |
0.000 |
3 |
|
B |
58 |
17 |
23544 |
x |
B |
x-y,x,z-1/6 |
2_554 |
51 |
14 |
23544 |
512.6 |
-3.4 |
0.377 |
5 |
3 |
0 |
0.000 |
Average: |
555.1 |
-3.8 |
0.350 |
6 |
3 |
0 |
0.000 |
3 |
4 |
|
[2WX]B:701 |
31 |
1 |
590 |
f |
B |
x,y,z |
1_555 |
73 |
24 |
23544 |
442.8 |
-3.6 |
0.334 |
4 |
0 |
0 |
0.032 |
5 |
|
[2WX]A:701 |
32 |
1 |
581 |
f |
A |
x,y,z |
1_555 |
71 |
24 |
22928 |
433.0 |
-3.8 |
0.345 |
4 |
0 |
0 |
0.032 |
Average: |
437.9 |
-3.7 |
0.340 |
4 |
0 |
0 |
0.032 |
4 |
6 |
|
[S6P]B:702 |
16 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
48 |
22 |
23544 |
288.6 |
-3.8 |
0.615 |
14 |
0 |
0 |
0.062 |
7 |
|
[S6P]A:702 |
16 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
52 |
22 |
22928 |
284.3 |
-3.7 |
0.632 |
16 |
0 |
0 |
0.062 |
Average: |
286.4 |
-3.8 |
0.624 |
15 |
0 |
0 |
0.062 |
5 |
8 |
|
A |
22 |
8 |
22928 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
26 |
9 |
23544 |
219.8 |
0.3 |
0.723 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[GOL]B:717 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
23544 |
120.9 |
-1.6 |
0.358 |
2 |
0 |
0 |
0.003 |
7 |
10 |
|
A |
12 |
3 |
22928 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
4 |
23544 |
114.6 |
-1.0 |
0.410 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[IOD]B:704 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
23544 |
100.2 |
-0.6 |
0.631 |
0 |
0 |
0 |
0.003 |
12 |
|
[IOD]A:704 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
22928 |
96.7 |
-0.5 |
0.664 |
0 |
0 |
0 |
0.003 |
Average: |
98.4 |
-0.5 |
0.647 |
0 |
0 |
0 |
0.003 |
9 |
13 |
|
[SO4]B:721 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
23544 |
99.5 |
-14.6 |
0.768 |
3 |
0 |
0 |
0.018 |
10 |
14 |
|
[IOD]A:707 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
22928 |
93.1 |
0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
15 |
|
[IOD]B:706 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23544 |
91.0 |
-0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
Average: |
92.1 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]B:719 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23544 |
92.2 |
-13.0 |
0.684 |
1 |
0 |
0 |
0.015 |
12 |
17 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23544 |
91.7 |
-0.1 |
0.716 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[IOD]B:713 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23544 |
88.5 |
-0.5 |
0.598 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[IOD]B:703 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23544 |
88.1 |
0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
20 |
|
[IOD]A:703 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
22928 |
86.8 |
0.0 |
0.776 |
0 |
0 |
0 |
0.000 |
Average: |
87.5 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
22928 |
87.8 |
0.1 |
0.791 |
0 |
0 |
0 |
0.000 |
22 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
23544 |
85.4 |
0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
Average: |
86.6 |
0.2 |
0.795 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[SO4]B:720 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
23544 |
86.6 |
-13.6 |
0.520 |
0 |
0 |
0 |
0.015 |
17 |
24 |
|
[IOD]B:705 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
23544 |
82.4 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
25 |
|
[IOD]A:705 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
22928 |
76.2 |
0.2 |
0.814 |
0 |
0 |
0 |
0.000 |
Average: |
79.3 |
0.2 |
0.802 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[IOD]B:708 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23544 |
82.1 |
0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
27 |
|
[IOD]A:708 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
22928 |
78.6 |
-0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
Average: |
80.4 |
0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[IOD]A:711 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
22928 |
81.8 |
-0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
29 |
|
[IOD]B:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23544 |
79.4 |
-0.7 |
0.543 |
0 |
0 |
0 |
0.000 |
Average: |
80.6 |
-0.4 |
0.628 |
0 |
0 |
0 |
0.001 |
20 |
30 |
|
[IOD]B:710 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23544 |
80.3 |
-0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
31 |
|
[IOD]A:709 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
22928 |
77.8 |
-0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
Average: |
79.0 |
-0.2 |
0.694 |
0 |
0 |
0 |
0.001 |
21 |
32 |
|
[IOD]A:712 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
22928 |
80.0 |
0.2 |
0.804 |
0 |
0 |
0 |
0.000 |
33 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
23544 |
77.9 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
Average: |
78.9 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
22928 |
78.7 |
-0.4 |
0.673 |
0 |
0 |
0 |
0.002 |
23 |
35 |
|
[SO4]B:722 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
23544 |
76.0 |
-10.5 |
0.741 |
2 |
0 |
0 |
0.013 |
24 |
36 |
|
[SO4]B:718 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
23544 |
74.9 |
-10.0 |
0.755 |
0 |
0 |
0 |
0.011 |
25 |
37 |
|
[IOD]B:716 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
23544 |
73.3 |
-0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[IOD]B:707 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23544 |
71.6 |
-0.5 |
0.518 |
0 |
0 |
0 |
0.002 |
39 |
|
[IOD]A:706 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22928 |
69.5 |
-0.4 |
0.570 |
0 |
0 |
0 |
0.002 |
Average: |
70.5 |
-0.5 |
0.544 |
0 |
0 |
0 |
0.002 |
27 |
40 |
|
[IOD]A:713 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
22928 |
70.4 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
41 |
|
[IOD]B:709 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23544 |
68.4 |
-0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
Average: |
69.4 |
0.0 |
0.751 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
B |
12 |
5 |
23544 |
◊ |
[SO4]B:722 |
x-y,x,z-1/6 |
2_554 |
4 |
1 |
188 |
60.7 |
-7.8 |
0.794 |
1 |
0 |
0 |
0.000 |
29 |
43 |
|
A |
8 |
3 |
22928 |
x |
A |
-y,x-y-1,z-1/3 |
3_544 |
8 |
3 |
22928 |
59.8 |
0.3 |
0.680 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[IOD]A:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22928 |
57.6 |
-0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[IOD]A:714 |
1 |
1 |
144 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
8 |
3 |
22928 |
43.9 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[IOD]A:715 |
1 |
1 |
144 |
f |
[IOD]A:708 |
x,y,z |
1_555 |
1 |
1 |
144 |
23.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
[IOD]A:712 |
x,y,z |
1_555 |
1 |
1 |
144 |
22.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[SO4]B:721 |
1 |
1 |
187 |
f |
[IOD]B:707 |
x,y,z |
1_555 |
1 |
1 |
144 |
19.6 |
-2.5 |
0.894 |
0 |
0 |
0 |
0.003 |
35 |
49 |
|
[SO4]B:718 |
3 |
1 |
188 |
f |
[IOD]B:707 |
x,y,z |
1_555 |
1 |
1 |
144 |
15.3 |
-1.7 |
0.996 |
0 |
0 |
0 |
0.002 |
36 |
50 |
|
[IOD]B:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
22928 |
9.3 |
-0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
51 |
|
[IOD]A:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
23544 |
8.1 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
8.7 |
-0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[GOL]B:717 |
2 |
1 |
219 |
◊ |
[IOD]B:714 |
x,y,z |
1_555 |
1 |
1 |
144 |
4.0 |
0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
B |
2 |
1 |
23544 |
◊ |
A |
-y,x-y-1,z+2/3 |
3_545 |
1 |
1 |
22928 |
1.6 |
0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[SO4]B:721 |
1 |
1 |
187 |
f |
[SO4]B:718 |
x,y,z |
1_555 |
1 |
1 |
188 |
0.1 |
-0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|