| ## |
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 |
71 |
21 |
23513 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
22974 |
647.7 |
1.5 |
0.834 |
7 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
62 |
17 |
22974 |
x |
A |
x-y,x,z-1/6 |
2_554 |
59 |
17 |
22974 |
584.6 |
-2.8 |
0.466 |
7 |
4 |
0 |
0.000 |
3 |
|
B |
59 |
17 |
23513 |
x |
B |
x-y,x,z-1/6 |
2_554 |
54 |
14 |
23513 |
554.9 |
-3.5 |
0.341 |
5 |
4 |
0 |
0.000 |
| Average: |
569.7 |
-3.2 |
0.404 |
6 |
4 |
0 |
0.000 |
| 3 |
4 |
|
[2TG]B:701 |
30 |
1 |
672 |
f |
B |
x,y,z |
1_555 |
80 |
31 |
23513 |
487.3 |
6.6 |
0.483 |
8 |
0 |
0 |
0.000 |
5 |
|
[2TG]A:701 |
30 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
80 |
30 |
22974 |
476.3 |
4.7 |
0.368 |
6 |
0 |
0 |
0.000 |
| Average: |
481.8 |
5.7 |
0.425 |
7 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[S6P]A:702 |
16 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
47 |
21 |
22974 |
285.0 |
-3.8 |
0.633 |
13 |
0 |
0 |
0.113 |
7 |
|
[S6P]B:702 |
16 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
50 |
22 |
23513 |
283.5 |
-2.7 |
0.660 |
13 |
0 |
0 |
0.113 |
| Average: |
284.2 |
-3.3 |
0.647 |
13 |
0 |
0 |
0.113 |
| 5 |
8 |
|
A |
26 |
9 |
22974 |
◊ |
B |
-x+1,-y,z-1/2 |
4_654 |
27 |
10 |
23513 |
215.8 |
-0.5 |
0.622 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[GOL]B:716 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
23513 |
153.5 |
0.4 |
0.651 |
5 |
0 |
0 |
0.004 |
| 7 |
10 |
|
[IOD]A:704 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
22974 |
101.4 |
-0.6 |
0.666 |
0 |
0 |
0 |
0.007 |
11 |
|
[IOD]B:704 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
23513 |
99.8 |
-0.5 |
0.636 |
0 |
0 |
0 |
0.007 |
| Average: |
100.6 |
-0.6 |
0.651 |
0 |
0 |
0 |
0.007 |
| 8 |
12 |
|
[SO4]B:719 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
23513 |
97.8 |
-14.3 |
0.734 |
2 |
0 |
0 |
0.030 |
| 9 |
13 |
|
[IOD]A:707 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
22974 |
94.3 |
0.0 |
0.792 |
0 |
0 |
0 |
0.000 |
14 |
|
[IOD]B:706 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
23513 |
88.8 |
-0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
| Average: |
91.6 |
-0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[IOD]A:703 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
22974 |
90.0 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
16 |
|
[IOD]B:703 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
23513 |
88.3 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
| Average: |
89.1 |
0.0 |
0.770 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
A |
10 |
2 |
22974 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
23513 |
88.9 |
-2.8 |
0.068 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[SO4]B:718 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
23513 |
88.4 |
-14.2 |
0.569 |
1 |
0 |
0 |
0.029 |
| 13 |
19 |
|
[IOD]B:713 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23513 |
88.0 |
-0.4 |
0.642 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
22974 |
87.2 |
-0.2 |
0.734 |
0 |
0 |
0 |
0.002 |
21 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
23513 |
86.3 |
0.0 |
0.770 |
0 |
0 |
0 |
0.002 |
| Average: |
86.8 |
-0.1 |
0.752 |
0 |
0 |
0 |
0.002 |
| 15 |
22 |
|
[IOD]B:710 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
23513 |
81.4 |
-0.2 |
0.702 |
0 |
0 |
0 |
0.003 |
23 |
|
[IOD]A:709 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
22974 |
78.7 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.003 |
| Average: |
80.1 |
-0.2 |
0.695 |
0 |
0 |
0 |
0.003 |
| 16 |
24 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23513 |
80.7 |
0.5 |
0.862 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[IOD]B:708 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23513 |
80.6 |
-0.1 |
0.741 |
0 |
0 |
0 |
0.002 |
26 |
|
[IOD]A:708 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
22974 |
77.0 |
-0.1 |
0.732 |
0 |
0 |
0 |
0.002 |
| Average: |
78.8 |
-0.1 |
0.737 |
0 |
0 |
0 |
0.002 |
| 18 |
27 |
|
[IOD]A:711 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
22974 |
78.4 |
0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
28 |
|
[IOD]B:712 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
23513 |
75.0 |
-0.3 |
0.673 |
0 |
0 |
0 |
0.000 |
| Average: |
76.7 |
-0.1 |
0.741 |
0 |
0 |
0 |
0.001 |
| 19 |
29 |
|
[IOD]B:705 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
23513 |
75.8 |
0.3 |
0.818 |
0 |
0 |
0 |
0.000 |
30 |
|
[IOD]A:705 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
22974 |
74.3 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
| Average: |
75.0 |
0.3 |
0.825 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[SO4]B:717 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23513 |
75.7 |
-9.9 |
0.755 |
0 |
0 |
0 |
0.020 |
| 21 |
32 |
|
[IOD]B:714 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
23513 |
74.4 |
0.0 |
0.751 |
0 |
0 |
0 |
0.002 |
33 |
|
[IOD]A:712 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22974 |
70.3 |
-0.2 |
0.711 |
0 |
0 |
0 |
0.002 |
| Average: |
72.4 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.002 |
| 22 |
34 |
|
[IOD]B:707 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
23513 |
73.4 |
-0.4 |
0.616 |
0 |
0 |
0 |
0.002 |
35 |
|
[IOD]A:706 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22974 |
70.7 |
-0.2 |
0.676 |
0 |
0 |
0 |
0.002 |
| Average: |
72.0 |
-0.3 |
0.646 |
0 |
0 |
0 |
0.002 |
| 23 |
36 |
|
[IOD]A:713 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
22974 |
69.2 |
0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]B:709 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
23513 |
65.6 |
-0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
-0.0 |
0.741 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[IOD]A:714 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
22974 |
59.3 |
-0.1 |
0.715 |
0 |
0 |
0 |
0.002 |
| 25 |
39 |
|
A |
8 |
3 |
22974 |
x |
A |
-y,x-y-1,z-1/3 |
3_544 |
8 |
4 |
22974 |
49.7 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[IOD]A:714 |
1 |
1 |
144 |
◊ |
A |
x-y,x,z-1/6 |
2_554 |
7 |
3 |
22974 |
43.8 |
0.2 |
0.831 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
[IOD]B:711 |
1 |
1 |
144 |
f |
[2TG]B:701 |
x,y,z |
1_555 |
3 |
1 |
672 |
31.7 |
0.2 |
0.432 |
0 |
0 |
0 |
0.000 |
42 |
|
[IOD]A:710 |
1 |
1 |
144 |
f |
[2TG]A:701 |
x,y,z |
1_555 |
2 |
1 |
661 |
29.8 |
0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
| Average: |
30.8 |
0.1 |
0.460 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
[IOD]A:712 |
x,y,z |
1_555 |
1 |
1 |
144 |
29.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 29 |
44 |
|
[IOD]A:712 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
23513 |
25.2 |
-0.1 |
0.711 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]B:714 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
22974 |
18.4 |
-0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
| Average: |
21.8 |
-0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
[IOD]B:715 |
1 |
1 |
144 |
f |
[IOD]B:709 |
x,y,z |
1_555 |
1 |
1 |
144 |
24.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
[SO4]B:717 |
2 |
1 |
188 |
f |
[IOD]B:707 |
x,y,z |
1_555 |
1 |
1 |
144 |
17.8 |
-2.1 |
0.980 |
0 |
0 |
0 |
0.004 |
| 32 |
48 |
|
B |
1 |
1 |
23513 |
◊ |
A |
-y,x-y-1,z+2/3 |
3_545 |
1 |
1 |
22974 |
8.1 |
0.2 |
0.853 |
0 |
0 |
0 |
0.000 |
| 33 |
49 |
|
A |
1 |
1 |
22974 |
◊ |
B |
-y,x-y-1,z-1/3 |
3_544 |
1 |
1 |
23513 |
2.1 |
-0.1 |
0.422 |
0 |
0 |
0 |
0.000 |
|