## |
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 |
233 |
63 |
15066 |
◊ |
A |
x,y,z |
1_555 |
248 |
61 |
14018 |
2334.6 |
-15.5 |
0.475 |
33 |
13 |
0 |
0.448 |
2 |
|
D |
235 |
61 |
15167 |
◊ |
C |
x,y,z |
1_555 |
239 |
62 |
14146 |
2304.3 |
-17.5 |
0.317 |
36 |
9 |
0 |
0.448 |
Average: |
2319.4 |
-16.5 |
0.396 |
35 |
11 |
0 |
0.448 |
2 |
3 |
|
D |
56 |
18 |
15167 |
◊ |
B |
x,y-1,z |
1_545 |
57 |
18 |
15066 |
560.6 |
-3.6 |
0.398 |
7 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
66 |
14 |
15167 |
◊ |
B |
x,y,z |
1_555 |
68 |
14 |
15066 |
552.0 |
-0.4 |
0.685 |
7 |
1 |
0 |
0.000 |
4 |
5 |
|
[FOZ]B:401 |
32 |
1 |
690 |
f |
B |
x,y,z |
1_555 |
72 |
29 |
15066 |
484.3 |
-2.9 |
0.206 |
3 |
0 |
0 |
0.057 |
6 |
|
[FOZ]D:401 |
33 |
1 |
689 |
f |
D |
x,y,z |
1_555 |
68 |
29 |
15167 |
479.7 |
-2.7 |
0.184 |
4 |
0 |
0 |
0.057 |
Average: |
482.0 |
-2.8 |
0.195 |
4 |
0 |
0 |
0.057 |
5 |
7 |
|
D |
47 |
14 |
15167 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
55 |
17 |
14018 |
477.1 |
-4.0 |
0.418 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
51 |
16 |
14146 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
48 |
14 |
15066 |
456.3 |
-4.2 |
0.377 |
2 |
1 |
0 |
0.000 |
Average: |
466.7 |
-4.1 |
0.397 |
2 |
1 |
0 |
0.000 |
6 |
9 |
|
D |
31 |
9 |
15167 |
◊ |
C |
x-1,y,z |
1_455 |
31 |
11 |
14146 |
288.7 |
-0.4 |
0.669 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
[UMP]A:401 |
19 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
31 |
15 |
14018 |
266.0 |
-3.0 |
0.528 |
11 |
0 |
0 |
0.120 |
11 |
|
[UMP]C:401 |
18 |
1 |
448 |
f |
C |
x,y,z |
1_555 |
29 |
13 |
14146 |
259.5 |
-2.3 |
0.552 |
11 |
0 |
0 |
0.120 |
Average: |
262.7 |
-2.6 |
0.540 |
11 |
0 |
0 |
0.120 |
8 |
12 |
|
D |
22 |
10 |
15167 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
6 |
14018 |
202.7 |
-0.2 |
0.593 |
3 |
0 |
0 |
0.000 |
13 |
|
C |
23 |
6 |
14146 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
20 |
8 |
15066 |
186.3 |
-0.7 |
0.541 |
3 |
0 |
0 |
0.000 |
Average: |
194.5 |
-0.4 |
0.567 |
3 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
26 |
9 |
14146 |
◊ |
A |
x,y-1,z |
1_545 |
23 |
7 |
14018 |
174.6 |
-0.6 |
0.670 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
B |
22 |
9 |
15066 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
9 |
14018 |
164.9 |
0.6 |
0.760 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
C |
13 |
4 |
14146 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
3 |
15066 |
111.3 |
-0.8 |
0.493 |
1 |
0 |
0 |
0.000 |
17 |
|
D |
11 |
3 |
15167 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
4 |
14018 |
108.5 |
-1.0 |
0.470 |
1 |
0 |
0 |
0.000 |
Average: |
109.9 |
-0.9 |
0.481 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]B:405 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
15066 |
106.6 |
2.7 |
0.412 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[UMP]A:401 |
8 |
1 |
448 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
15066 |
99.5 |
-3.1 |
0.344 |
5 |
0 |
0 |
0.067 |
20 |
|
[UMP]C:401 |
9 |
1 |
448 |
◊ |
D |
x,y,z |
1_555 |
12 |
2 |
15167 |
98.6 |
-3.1 |
0.363 |
4 |
0 |
0 |
0.067 |
Average: |
99.1 |
-3.1 |
0.353 |
5 |
0 |
0 |
0.067 |
14 |
21 |
|
[EDO]B:408 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
15066 |
99.5 |
3.4 |
0.491 |
3 |
0 |
0 |
0.000 |
22 |
|
[EDO]D:405 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
15167 |
98.7 |
3.4 |
0.469 |
3 |
0 |
0 |
0.000 |
Average: |
99.1 |
3.4 |
0.480 |
3 |
0 |
0 |
0.000 |
15 |
23 |
|
[EDO]C:402 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
14146 |
89.8 |
2.7 |
0.468 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]A:402 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
14018 |
89.7 |
2.8 |
0.469 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
15167 |
89.1 |
-12.1 |
0.729 |
5 |
0 |
0 |
0.184 |
18 |
26 |
|
[SO4]B:402 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15066 |
89.0 |
-12.1 |
0.735 |
5 |
0 |
0 |
0.180 |
19 |
27 |
|
[EDO]D:403 |
3 |
1 |
181 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
16 |
6 |
14018 |
85.0 |
2.6 |
0.574 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[EDO]D:404 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
15066 |
82.9 |
1.8 |
0.212 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
C |
15 |
6 |
14146 |
◊ |
[EDO]B:406 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
179 |
79.5 |
2.3 |
0.540 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]A:403 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
14018 |
76.4 |
1.9 |
0.284 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[SO4]D:402 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
14146 |
75.8 |
-7.8 |
0.897 |
5 |
0 |
0 |
0.129 |
24 |
32 |
|
[SO4]B:402 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
14018 |
75.6 |
-7.7 |
0.895 |
5 |
0 |
0 |
0.124 |
25 |
33 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
15066 |
75.0 |
-10.7 |
0.708 |
3 |
0 |
0 |
0.151 |
26 |
34 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
15167 |
74.5 |
2.1 |
0.460 |
2 |
0 |
0 |
0.000 |
27 |
35 |
|
[EDO]B:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
15066 |
73.6 |
2.1 |
0.476 |
2 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]D:404 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
15167 |
69.5 |
2.1 |
0.281 |
1 |
0 |
0 |
0.000 |
29 |
37 |
|
[EDO]B:407 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
15066 |
60.4 |
1.7 |
0.258 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]B:406 |
4 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
15066 |
60.2 |
1.7 |
0.264 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[EDO]D:403 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
15167 |
59.5 |
1.6 |
0.749 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[CL]D:406 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
15167 |
54.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.092 |
33 |
41 |
|
C |
8 |
3 |
14146 |
f |
[EDO]B:407 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
184 |
44.3 |
1.6 |
0.656 |
1 |
0 |
0 |
0.000 |
34 |
42 |
|
[EDO]D:405 |
3 |
1 |
184 |
f |
B |
x,y-1,z |
1_545 |
6 |
4 |
15066 |
39.6 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
43 |
|
D |
5 |
3 |
15167 |
f |
[EDO]B:408 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
39.0 |
0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
Average: |
39.3 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
D |
8 |
5 |
15167 |
f |
[EDO]A:402 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
183 |
31.4 |
0.6 |
0.841 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[EDO]C:402 |
2 |
1 |
183 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
5 |
15066 |
29.1 |
0.6 |
0.856 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[EDO]B:405 |
2 |
1 |
183 |
f |
A |
x-1,y,z |
1_455 |
4 |
1 |
14018 |
26.7 |
0.5 |
0.845 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
D |
3 |
2 |
15167 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14018 |
13.4 |
0.4 |
0.778 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
[EDO]A:403 |
1 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
15066 |
5.5 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
|