## |
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 |
|
E |
164 |
52 |
21734 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
160 |
49 |
21802 |
1468.5 |
-3.3 |
0.557 |
13 |
0 |
0 |
0.078 |
2 |
2 |
|
E |
79 |
21 |
21734 |
◊ |
A |
x,y,z-1 |
1_554 |
74 |
21 |
21802 |
719.8 |
7.4 |
0.962 |
19 |
7 |
0 |
0.018 |
3 |
3 |
|
E |
52 |
16 |
21734 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
21802 |
542.6 |
0.6 |
0.690 |
9 |
8 |
0 |
0.000 |
4 |
4 |
|
A |
58 |
20 |
21802 |
◊ |
E |
x,y,z-1 |
1_554 |
45 |
15 |
21734 |
466.6 |
2.2 |
0.733 |
6 |
1 |
0 |
0.000 |
5 |
5 |
|
E |
58 |
18 |
21734 |
◊ |
A |
-x+2,-y+1,z-1 |
2_764 |
56 |
18 |
21802 |
464.0 |
-4.9 |
0.232 |
2 |
0 |
0 |
0.048 |
6 |
6 |
|
E |
31 |
11 |
21734 |
◊ |
E |
-x+2,-y+1,z |
2_765 |
31 |
11 |
21734 |
301.3 |
3.0 |
0.892 |
8 |
4 |
0 |
0.005 |
7 |
7 |
|
E |
23 |
7 |
21734 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
25 |
7 |
21802 |
216.3 |
1.4 |
0.767 |
3 |
0 |
0 |
0.000 |
8 |
8 |
|
E |
20 |
6 |
21734 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
8 |
21802 |
171.8 |
-1.0 |
0.415 |
1 |
0 |
0 |
0.000 |
9 |
|
E |
18 |
7 |
21734 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
18 |
7 |
21802 |
171.2 |
-1.5 |
0.320 |
0 |
0 |
0 |
0.000 |
Average: |
171.5 |
-1.3 |
0.367 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
17 |
9 |
21802 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
17 |
9 |
21802 |
158.0 |
5.3 |
0.985 |
6 |
4 |
0 |
0.000 |
10 |
11 |
|
[EDO]E:712 |
4 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
21734 |
93.9 |
2.8 |
0.290 |
3 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:714 |
4 |
1 |
180 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
21802 |
92.0 |
1.9 |
0.235 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[TRS]A:710 |
6 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
21802 |
88.7 |
2.1 |
0.779 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[TRS]E:706 |
5 |
1 |
253 |
◊ |
E |
x,y,z-1 |
1_554 |
15 |
9 |
21734 |
86.9 |
2.5 |
0.872 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
E |
12 |
6 |
21734 |
cf |
[TRS]A:710 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
252 |
85.4 |
1.7 |
0.787 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[TRS]E:706 |
7 |
1 |
253 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
21734 |
80.6 |
2.2 |
0.774 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:715 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21802 |
79.4 |
1.4 |
0.660 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[GOL]E:707 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
21734 |
78.6 |
-0.3 |
0.515 |
2 |
0 |
0 |
0.010 |
18 |
19 |
|
[SO4]A:706 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21802 |
76.9 |
-9.2 |
0.919 |
2 |
0 |
0 |
0.087 |
19 |
20 |
|
[EDO]E:711 |
4 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
21734 |
73.2 |
2.8 |
0.327 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
E |
13 |
6 |
21734 |
f |
[SO4]A:707 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
184 |
71.0 |
-10.5 |
0.626 |
0 |
0 |
0 |
0.091 |
21 |
22 |
|
[SO4]A:708 |
5 |
1 |
185 |
f |
A |
x,y,z-1 |
1_554 |
8 |
4 |
21802 |
69.5 |
-9.6 |
0.623 |
2 |
0 |
0 |
0.090 |
22 |
23 |
|
[SO4]A:707 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
21802 |
65.3 |
-8.3 |
0.885 |
3 |
0 |
0 |
0.083 |
23 |
24 |
|
[EDO]E:709 |
4 |
1 |
184 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
4 |
21802 |
65.3 |
2.5 |
0.923 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]A:713 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
21802 |
65.3 |
2.4 |
0.298 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[SO4]A:708 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
7 |
21802 |
60.5 |
-7.5 |
0.870 |
3 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]E:708 |
4 |
1 |
183 |
f |
A |
-x+2,-y+1,z |
2_765 |
8 |
4 |
21802 |
59.4 |
1.5 |
0.835 |
2 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]E:710 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
21734 |
54.9 |
1.4 |
0.890 |
3 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]A:711 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
21802 |
52.3 |
0.5 |
0.469 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[GOL]E:707 |
4 |
1 |
216 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
2 |
21802 |
51.7 |
-0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[SO4]A:705 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21802 |
51.0 |
-6.3 |
0.887 |
3 |
0 |
0 |
0.066 |
31 |
32 |
|
[SO4]A:705 |
4 |
1 |
184 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
6 |
3 |
21802 |
50.6 |
-6.3 |
0.894 |
3 |
0 |
0 |
0.063 |
32 |
33 |
|
[EDO]E:710 |
4 |
1 |
182 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
6 |
3 |
21802 |
50.0 |
2.7 |
0.970 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]A:712 |
3 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
21802 |
49.2 |
2.3 |
0.338 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]E:708 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
21734 |
48.1 |
2.0 |
0.986 |
2 |
0 |
0 |
0.000 |
35 |
36 |
|
[CA]E:701 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
21734 |
44.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.218 |
37 |
|
[CA]A:701 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
21802 |
43.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.218 |
Average: |
44.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.218 |
36 |
38 |
|
[CA]A:702 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
21802 |
43.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.184 |
39 |
|
[CA]E:704 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
21734 |
42.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
43.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.184 |
37 |
40 |
|
[CA]E:702 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
7 |
5 |
21734 |
43.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.180 |
41 |
|
[CA]A:704 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
21802 |
42.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.180 |
Average: |
43.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.180 |
38 |
42 |
|
E |
5 |
3 |
21734 |
f |
[EDO]A:714 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
180 |
42.9 |
0.5 |
0.464 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
E |
5 |
2 |
21734 |
◊ |
[SO4]A:705 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
34.9 |
-3.5 |
0.888 |
2 |
0 |
0 |
0.037 |
40 |
44 |
|
E |
5 |
2 |
21734 |
◊ |
[SO4]A:705 |
-x+2,-y+1,z-1 |
2_764 |
4 |
1 |
184 |
34.9 |
-3.5 |
0.888 |
2 |
0 |
0 |
0.037 |
41 |
45 |
|
[EDO]A:712 |
2 |
1 |
181 |
◊ |
E |
-x+2,-y+1,z |
2_765 |
5 |
3 |
21734 |
31.1 |
1.4 |
0.632 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[TRS]E:706 |
3 |
1 |
253 |
◊ |
[MG]A:709 |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
98 |
22.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[MG]E:705 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
21802 |
21.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
E |
2 |
2 |
21734 |
◊ |
[MG]A:709 |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
98 |
10.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
E |
3 |
1 |
21734 |
f |
[MG]A:709 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
98 |
19.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.035 |
50 |
|
[MG]E:705 |
1 |
1 |
98 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
21802 |
14.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
17.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.035 |
45 |
51 |
|
[MG]A:709 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21802 |
17.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
52 |
|
[MG]E:705 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
21734 |
15.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
16.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.034 |
46 |
53 |
|
[MG]E:705 |
1 |
1 |
98 |
◊ |
[SO4]A:708 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
15.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[EDO]E:710 |
3 |
1 |
182 |
◊ |
[EDO]A:712 |
-x+2,-y+1,z |
2_765 |
1 |
1 |
181 |
14.9 |
0.7 |
0.707 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
A |
6 |
4 |
21802 |
x |
A |
x,y,z-1 |
1_554 |
6 |
5 |
21802 |
12.8 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
56 |
|
E |
4 |
3 |
21734 |
x |
E |
x,y,z-1 |
1_554 |
3 |
2 |
21734 |
6.7 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
Average: |
9.8 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[EDO]A:715 |
2 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
21734 |
9.1 |
0.3 |
0.892 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
A |
1 |
1 |
21802 |
x |
A |
-x+2,-y+1,z-1 |
2_764 |
1 |
1 |
21802 |
7.4 |
-0.0 |
0.448 |
0 |
0 |
0 |
0.000 |
|