## |
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 |
55 |
15 |
8243 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
8190 |
448.4 |
4.3 |
0.884 |
15 |
0 |
0 |
0.020 |
2 |
2 |
|
B |
53 |
17 |
8243 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
53 |
17 |
8243 |
435.7 |
3.0 |
0.794 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
22 |
8 |
8190 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
31 |
10 |
8190 |
232.2 |
-3.4 |
0.132 |
2 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
23 |
8 |
8243 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
24 |
8 |
8190 |
206.9 |
-1.9 |
0.227 |
5 |
0 |
0 |
0.035 |
5 |
5 |
|
[MPD]A:205 |
7 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
8190 |
152.5 |
-9.8 |
0.731 |
4 |
0 |
0 |
0.098 |
6 |
6 |
|
A |
21 |
7 |
8190 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
19 |
7 |
8243 |
143.2 |
-0.2 |
0.514 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[MPD]A:204 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
8190 |
112.5 |
-6.9 |
0.738 |
1 |
0 |
0 |
0.062 |
8 |
8 |
|
[GOL]A:207 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
8190 |
111.8 |
2.7 |
0.843 |
4 |
0 |
0 |
0.000 |
9 |
9 |
|
[GOL]B:213 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
8243 |
111.8 |
-0.0 |
0.529 |
2 |
0 |
0 |
0.012 |
10 |
10 |
|
[GOL]A:208 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
8190 |
110.7 |
-1.3 |
0.407 |
0 |
0 |
0 |
0.011 |
11 |
11 |
|
[EDO]B:208 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
8243 |
108.4 |
3.2 |
0.461 |
3 |
0 |
0 |
0.000 |
12 |
12 |
|
[GOL]B:212 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8243 |
105.5 |
-1.2 |
0.389 |
2 |
0 |
0 |
0.028 |
13 |
13 |
|
B |
16 |
7 |
8243 |
◊ |
[MRD]A:203 |
x-1/2,y-1/2,z |
5_445 |
6 |
1 |
262 |
104.7 |
0.5 |
0.349 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[MPD]B:204 |
7 |
1 |
279 |
f |
[MRD]B:203 |
x,y,z |
1_555 |
7 |
1 |
275 |
99.8 |
-2.6 |
0.632 |
0 |
0 |
0 |
0.035 |
15 |
15 |
|
A |
12 |
6 |
8190 |
◊ |
[MPD]A:204 |
x-1/2,-y+1/2,-z |
8_455 |
5 |
1 |
279 |
98.9 |
-6.2 |
0.608 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[MRD]B:206 |
7 |
1 |
267 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
8243 |
96.6 |
2.9 |
0.460 |
3 |
0 |
0 |
0.000 |
17 |
17 |
|
[MRD]A:202 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8190 |
95.2 |
0.6 |
0.214 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
[PO4]B:217 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8243 |
94.0 |
-6.2 |
0.602 |
0 |
0 |
0 |
0.082 |
19 |
19 |
|
[MPD]B:205 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8243 |
91.8 |
-6.3 |
0.443 |
1 |
0 |
0 |
0.090 |
20 |
20 |
|
[EDO]B:207 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
4 |
8243 |
90.8 |
2.9 |
0.439 |
1 |
0 |
0 |
0.000 |
21 |
21 |
|
[PO4]B:216 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
8243 |
87.0 |
-6.0 |
0.600 |
1 |
0 |
0 |
0.086 |
22 |
22 |
|
[MPD]B:205 |
5 |
1 |
280 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
13 |
6 |
8190 |
86.3 |
-4.4 |
0.802 |
0 |
0 |
0 |
0.037 |
23 |
23 |
|
B |
11 |
5 |
8243 |
◊ |
[MRD]A:202 |
x-1/2,y-1/2,z |
5_445 |
5 |
1 |
279 |
82.5 |
2.2 |
0.489 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[MRD]B:203 |
4 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8243 |
74.7 |
2.4 |
0.655 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
[MPD]B:204 |
5 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8243 |
74.3 |
-3.6 |
0.822 |
0 |
0 |
0 |
0.048 |
26 |
26 |
|
[NA]B:209 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8243 |
66.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.171 |
27 |
|
[NA]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8190 |
65.3 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
65.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.171 |
27 |
28 |
|
[MRD]A:203 |
5 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8190 |
65.8 |
-0.1 |
0.295 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[MRD]B:206 |
5 |
1 |
267 |
f |
[MRD]B:206 |
-x+1,y,-z+1/2 |
3_655 |
5 |
1 |
267 |
62.4 |
2.1 |
0.388 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
A |
9 |
4 |
8190 |
x |
A |
x-1,y,z |
1_455 |
5 |
3 |
8190 |
59.7 |
0.6 |
0.645 |
2 |
0 |
0 |
0.000 |
30 |
31 |
|
[ACT]B:214 |
3 |
1 |
183 |
f |
B |
x-1,y,z |
1_455 |
12 |
5 |
8243 |
57.5 |
-1.2 |
0.448 |
0 |
0 |
0 |
0.016 |
31 |
32 |
|
B |
9 |
4 |
8243 |
x |
B |
x-1,y,z |
1_455 |
8 |
5 |
8243 |
52.6 |
1.3 |
0.799 |
2 |
2 |
0 |
0.000 |
32 |
33 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
8243 |
52.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.086 |
33 |
34 |
|
A |
8 |
3 |
8190 |
◊ |
[MRD]B:203 |
x-1/2,-y+1/2,-z |
8_455 |
6 |
1 |
275 |
49.7 |
0.2 |
0.279 |
3 |
0 |
0 |
0.000 |
34 |
35 |
|
[ACT]B:214 |
3 |
1 |
183 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
6 |
2 |
8190 |
49.1 |
-0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
[ACT]B:215 |
4 |
1 |
184 |
f |
[ACT]B:215 |
-x+1,y,-z+1/2 |
3_655 |
4 |
1 |
184 |
48.4 |
-0.6 |
0.594 |
0 |
0 |
0 |
0.004 |
36 |
37 |
|
A |
8 |
3 |
8190 |
◊ |
[MPD]B:204 |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
279 |
47.1 |
-2.2 |
0.794 |
2 |
0 |
0 |
0.000 |
37 |
38 |
|
[NA]B:211 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8243 |
46.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.086 |
38 |
39 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
12 |
3 |
8243 |
45.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.077 |
39 |
40 |
|
[CA]A:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
8190 |
45.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.173 |
41 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8243 |
45.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.173 |
Average: |
45.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.173 |
40 |
42 |
|
[MPD]B:204 |
3 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8190 |
42.6 |
-2.4 |
0.675 |
0 |
0 |
0 |
0.020 |
41 |
43 |
|
[ACT]B:215 |
4 |
1 |
184 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
9 |
7 |
8243 |
42.0 |
0.8 |
0.871 |
1 |
0 |
0 |
0.000 |
42 |
44 |
|
[ACT]B:215 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
8243 |
40.4 |
0.8 |
0.822 |
1 |
0 |
0 |
0.000 |
43 |
45 |
|
[NA]B:210 |
1 |
1 |
125 |
f |
B |
-x+1,y,-z+1/2 |
3_655 |
9 |
3 |
8243 |
40.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.066 |
44 |
46 |
|
B |
6 |
2 |
8243 |
◊ |
[PO4]B:216 |
x-1,y,z |
1_455 |
3 |
1 |
189 |
39.7 |
-2.1 |
0.728 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[MRD]B:203 |
3 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
8190 |
39.5 |
1.1 |
0.508 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[MRD]A:203 |
4 |
1 |
262 |
f |
[MRD]A:202 |
x,y,z |
1_555 |
3 |
1 |
279 |
37.5 |
2.3 |
0.438 |
0 |
0 |
0 |
0.000 |
47 |
49 |
|
[NA]B:210 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
8243 |
37.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.064 |
48 |
50 |
|
[MRD]B:206 |
3 |
1 |
267 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
6 |
5 |
8243 |
35.6 |
1.4 |
0.627 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[ACT]B:214 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8243 |
33.4 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[NA]B:211 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
7 |
4 |
8243 |
32.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.056 |
51 |
53 |
|
[MPD]B:205 |
3 |
1 |
280 |
◊ |
[MRD]A:203 |
x-1/2,y-1/2,z |
5_445 |
4 |
1 |
262 |
27.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
52 |
54 |
|
[ACT]B:215 |
1 |
1 |
184 |
f |
[MRD]B:206 |
x,y,z |
1_555 |
3 |
1 |
267 |
24.4 |
-0.1 |
0.291 |
0 |
0 |
0 |
0.001 |
53 |
55 |
|
[ACT]B:215 |
1 |
1 |
184 |
f |
[MRD]B:206 |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
267 |
24.3 |
-0.1 |
0.275 |
0 |
0 |
0 |
0.002 |
54 |
56 |
|
A |
5 |
3 |
8190 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
5 |
2 |
8243 |
14.9 |
0.3 |
0.684 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
[NA]B:209 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
8243 |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
56 |
58 |
|
B |
3 |
2 |
8243 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
3 |
2 |
8190 |
13.4 |
-0.3 |
0.384 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
B |
4 |
2 |
8243 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
4 |
2 |
8243 |
12.3 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
58 |
60 |
|
[ACT]B:215 |
3 |
1 |
184 |
◊ |
[NA]B:210 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.018 |
59 |
61 |
|
[ACT]B:215 |
2 |
1 |
184 |
◊ |
[NA]B:210 |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
125 |
6.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
60 |
62 |
|
[NA]B:210 |
1 |
1 |
125 |
◊ |
[MRD]B:206 |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
267 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
61 |
63 |
|
A |
2 |
1 |
8190 |
◊ |
[MPD]A:205 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
285 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|