## |
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 |
131 |
32 |
13869 |
◊ |
A |
-x,y,-z |
2_555 |
135 |
34 |
13776 |
1218.8 |
-7.9 |
0.440 |
26 |
7 |
0 |
0.203 |
2 |
2 |
|
[LU8]B:501 |
30 |
1 |
704 |
f |
B |
x,y,z |
1_555 |
56 |
24 |
13869 |
426.5 |
-8.6 |
0.345 |
1 |
0 |
0 |
0.170 |
3 |
|
[LU8]A:501 |
31 |
1 |
709 |
f |
A |
x,y,z |
1_555 |
58 |
24 |
13776 |
424.2 |
-7.7 |
0.390 |
1 |
0 |
0 |
0.170 |
Average: |
425.3 |
-8.1 |
0.368 |
1 |
0 |
0 |
0.170 |
3 |
4 |
|
B |
43 |
12 |
13869 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
13776 |
355.4 |
-1.3 |
0.556 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
28 |
7 |
13869 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
33 |
8 |
13869 |
282.4 |
-3.0 |
0.344 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[LU8]A:506 |
27 |
1 |
709 |
f |
A |
x,y,z |
1_555 |
40 |
13 |
13776 |
263.4 |
-4.6 |
0.504 |
1 |
0 |
0 |
0.050 |
6 |
7 |
|
A |
29 |
9 |
13776 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
30 |
8 |
13869 |
242.5 |
-0.4 |
0.648 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
26 |
6 |
13776 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
20 |
1 |
706 |
196.1 |
-3.5 |
0.469 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[LU8]A:506 |
22 |
1 |
709 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
10 |
13869 |
191.3 |
-3.6 |
0.426 |
1 |
0 |
0 |
0.040 |
9 |
10 |
|
A |
22 |
6 |
13776 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
19 |
6 |
13776 |
180.1 |
1.5 |
0.832 |
6 |
2 |
0 |
0.000 |
10 |
11 |
|
B |
22 |
6 |
13869 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
22 |
6 |
13869 |
156.8 |
0.8 |
0.787 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[LU8]A:507 |
15 |
1 |
706 |
◊ |
B |
-x,y,-z |
2_555 |
21 |
5 |
13869 |
148.4 |
-2.5 |
0.544 |
0 |
0 |
0 |
0.025 |
12 |
13 |
|
A |
14 |
5 |
13776 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
17 |
4 |
13869 |
147.5 |
2.1 |
0.905 |
6 |
0 |
0 |
0.000 |
13 |
14 |
|
[LU8]A:507 |
20 |
1 |
706 |
f |
[LU8]A:506 |
x,y,z |
1_555 |
21 |
1 |
709 |
144.7 |
-1.2 |
0.818 |
0 |
0 |
0 |
0.012 |
14 |
15 |
|
[LU8]A:507 |
16 |
1 |
706 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13776 |
143.6 |
-3.5 |
0.365 |
0 |
0 |
0 |
0.034 |
15 |
16 |
|
[XEJ]A:508 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
13776 |
135.4 |
-1.2 |
0.443 |
1 |
0 |
0 |
0.017 |
16 |
17 |
|
B |
14 |
3 |
13869 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
14 |
4 |
13776 |
135.2 |
-1.2 |
0.416 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:503 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
13869 |
116.1 |
4.2 |
0.731 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:503 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13776 |
114.4 |
4.0 |
0.528 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:502 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
13776 |
104.4 |
3.9 |
0.712 |
3 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:507 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13869 |
103.8 |
3.5 |
0.495 |
3 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]A:509 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
13776 |
102.9 |
-14.6 |
0.849 |
2 |
0 |
0 |
0.153 |
22 |
23 |
|
[EDO]A:505 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
13776 |
101.6 |
3.4 |
0.516 |
3 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]A:511 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13776 |
100.3 |
3.3 |
0.494 |
4 |
0 |
0 |
0.000 |
24 |
25 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13869 |
99.7 |
-14.1 |
0.840 |
2 |
0 |
0 |
0.148 |
25 |
26 |
|
[XEJ]B:504 |
6 |
1 |
240 |
◊ |
[XEJ]B:504 |
-x-1,y,-z-1 |
2_454 |
6 |
1 |
240 |
84.3 |
0.7 |
0.780 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[EDO]A:515 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13776 |
83.9 |
3.1 |
0.322 |
1 |
0 |
0 |
0.000 |
27 |
28 |
|
[EDO]B:508 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
13869 |
83.2 |
0.7 |
0.133 |
2 |
0 |
0 |
0.002 |
28 |
29 |
|
[EDO]B:509 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13869 |
79.0 |
1.5 |
0.211 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[SO4]B:506 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13869 |
78.6 |
-11.1 |
0.666 |
1 |
0 |
0 |
0.114 |
30 |
31 |
|
[EDO]A:513 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13776 |
78.1 |
1.9 |
0.278 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]A:512 |
4 |
1 |
183 |
◊ |
B |
-x,y,-z |
2_555 |
10 |
5 |
13869 |
73.3 |
2.0 |
0.206 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[SO4]A:510 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13776 |
69.6 |
-9.8 |
0.820 |
2 |
0 |
0 |
0.105 |
33 |
34 |
|
[XEJ]B:504 |
5 |
1 |
240 |
f |
B |
-x-1,y,-z-1 |
2_454 |
15 |
7 |
13869 |
68.9 |
-0.2 |
0.612 |
1 |
0 |
0 |
0.006 |
34 |
35 |
|
[SO4]B:505 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13869 |
68.3 |
-10.0 |
0.595 |
1 |
0 |
0 |
0.103 |
35 |
36 |
|
[EDO]A:504 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13776 |
66.9 |
2.1 |
0.869 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:514 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13776 |
65.7 |
1.1 |
0.561 |
1 |
0 |
0 |
0.000 |
37 |
38 |
|
B |
8 |
2 |
13869 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
7 |
1 |
704 |
59.8 |
0.3 |
0.615 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[XEJ]B:504 |
5 |
1 |
240 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
13869 |
57.7 |
0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[SO4]A:510 |
4 |
1 |
183 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
13869 |
51.9 |
-6.4 |
0.789 |
1 |
0 |
0 |
0.000 |
40 |
41 |
|
[EDO]A:513 |
4 |
1 |
184 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
7 |
1 |
706 |
45.1 |
0.9 |
0.855 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[EDO]A:505 |
4 |
1 |
181 |
f |
B |
-x-1/2,y-1/2,-z |
4_445 |
5 |
2 |
13869 |
41.7 |
1.3 |
0.826 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[EDO]A:512 |
2 |
1 |
183 |
f |
[LU8]A:506 |
x,y,z |
1_555 |
6 |
1 |
709 |
40.1 |
0.8 |
0.592 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[EDO]A:512 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
13776 |
36.2 |
0.3 |
0.650 |
1 |
0 |
0 |
0.002 |
44 |
45 |
|
[EDO]A:513 |
2 |
1 |
184 |
◊ |
[LU8]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
709 |
29.4 |
0.2 |
0.653 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[EDO]A:513 |
3 |
1 |
184 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
13776 |
24.8 |
0.7 |
0.958 |
1 |
0 |
0 |
0.000 |
46 |
47 |
|
[EDO]A:504 |
1 |
1 |
183 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
13776 |
19.4 |
-0.1 |
0.462 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
A |
2 |
2 |
13776 |
◊ |
[LU8]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
709 |
17.4 |
-0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[SO4]B:506 |
1 |
1 |
182 |
f |
[SO4]B:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.1 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.005 |
49 |
50 |
|
A |
1 |
1 |
13776 |
◊ |
[SO4]A:509 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
182 |
1.4 |
-0.2 |
0.855 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
[EDO]A:513 |
1 |
1 |
184 |
◊ |
[EDO]A:512 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
183 |
1.1 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[SO4]A:509 |
1 |
1 |
182 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
1 |
1 |
181 |
1.1 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[EDO]B:503 |
1 |
1 |
185 |
f |
B |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
13869 |
0.2 |
0.0 |
0.795 |
0 |
0 |
0 |
0.000 |
|