## |
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 |
|
D |
171 |
41 |
6364 |
◊ |
C |
x,y,z |
1_555 |
179 |
41 |
6562 |
1654.4 |
-22.5 |
0.358 |
32 |
8 |
0 |
0.981 |
2 |
|
B |
177 |
40 |
6603 |
◊ |
A |
x,y,z |
1_555 |
172 |
40 |
6509 |
1644.9 |
-22.5 |
0.267 |
30 |
8 |
0 |
0.981 |
Average: |
1649.6 |
-22.5 |
0.313 |
31 |
8 |
0 |
0.981 |
2 |
3 |
|
E |
59 |
10 |
1390 |
◊ |
B |
x,y,z |
1_555 |
58 |
20 |
6603 |
537.8 |
-3.4 |
0.660 |
10 |
2 |
0 |
0.164 |
3 |
4 |
|
F |
46 |
7 |
1086 |
◊ |
D |
x,y,z |
1_555 |
54 |
18 |
6364 |
454.7 |
-1.9 |
0.706 |
9 |
1 |
0 |
0.119 |
4 |
5 |
|
E |
51 |
9 |
1390 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
6509 |
420.4 |
-3.3 |
0.623 |
5 |
0 |
0 |
0.111 |
5 |
6 |
|
D |
41 |
12 |
6364 |
◊ |
C |
x-1,y,z |
1_455 |
42 |
14 |
6562 |
413.7 |
-5.2 |
0.470 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
42 |
14 |
6509 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
12 |
6603 |
399.3 |
-4.4 |
0.492 |
1 |
0 |
0 |
0.000 |
Average: |
406.5 |
-4.8 |
0.481 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
F |
37 |
7 |
1086 |
◊ |
C |
x,y,z |
1_555 |
49 |
17 |
6562 |
356.5 |
-2.2 |
0.650 |
4 |
0 |
0 |
0.078 |
7 |
9 |
|
D |
29 |
8 |
6364 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
31 |
7 |
6562 |
292.5 |
-3.2 |
0.540 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
31 |
9 |
6364 |
◊ |
B |
x-1,y,z-1 |
1_454 |
25 |
7 |
6603 |
257.9 |
-4.0 |
0.344 |
0 |
0 |
0 |
0.022 |
9 |
11 |
|
C |
30 |
6 |
6562 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
31 |
11 |
6364 |
250.2 |
-3.4 |
0.519 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
D |
28 |
7 |
6364 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
6509 |
243.4 |
-3.8 |
0.393 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
A |
27 |
6 |
6509 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
30 |
9 |
6603 |
222.6 |
-3.9 |
0.344 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
28 |
10 |
6562 |
◊ |
B |
x,y,z |
1_555 |
26 |
5 |
6603 |
206.6 |
-3.2 |
0.495 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
D |
15 |
4 |
6364 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
5 |
6603 |
132.0 |
-0.2 |
0.591 |
2 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
17 |
4 |
6509 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
13 |
5 |
6509 |
125.4 |
-0.2 |
0.655 |
2 |
0 |
0 |
0.000 |
15 |
17 |
|
[GOL]D:101 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
6364 |
115.8 |
-0.6 |
0.516 |
3 |
0 |
0 |
0.045 |
16 |
18 |
|
D |
14 |
6 |
6364 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
15 |
6 |
6509 |
105.0 |
-1.6 |
0.493 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:102 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
6509 |
97.5 |
2.1 |
0.293 |
5 |
0 |
0 |
0.002 |
18 |
20 |
|
[EDO]B:102 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
6603 |
95.1 |
2.2 |
0.502 |
3 |
0 |
0 |
0.000 |
19 |
21 |
|
B |
12 |
4 |
6603 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
14 |
4 |
6509 |
93.0 |
-1.8 |
0.402 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[GOL]C:101 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
6364 |
88.7 |
-1.1 |
0.525 |
0 |
0 |
0 |
0.024 |
21 |
23 |
|
[GOL]A:101 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
6509 |
84.2 |
-0.2 |
0.660 |
2 |
0 |
0 |
0.029 |
22 |
24 |
|
C |
8 |
2 |
6562 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
2 |
6603 |
84.1 |
-2.1 |
0.282 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]C:104 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
6562 |
80.9 |
2.4 |
0.509 |
1 |
0 |
0 |
0.000 |
24 |
26 |
|
[GOL]B:101 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6603 |
80.3 |
-0.2 |
0.602 |
1 |
0 |
0 |
1.000 |
25 |
27 |
|
C |
7 |
4 |
6562 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
9 |
4 |
6562 |
75.5 |
-1.8 |
0.309 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[PO4]D:103 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
6364 |
73.0 |
-5.4 |
0.617 |
3 |
0 |
0 |
0.154 |
27 |
29 |
|
[PO4]D:103 |
5 |
1 |
187 |
◊ |
B |
x-1,y,z-1 |
1_454 |
8 |
3 |
6603 |
72.1 |
-3.2 |
0.919 |
4 |
0 |
0 |
0.027 |
28 |
30 |
|
[EDO]E:101 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
11 |
3 |
1390 |
69.7 |
1.9 |
0.290 |
1 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]C:103 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
6562 |
68.6 |
1.5 |
0.286 |
1 |
0 |
0 |
0.000 |
30 |
32 |
|
[PO4]A:105 |
4 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6509 |
67.4 |
-4.1 |
0.822 |
1 |
0 |
0 |
0.120 |
31 |
33 |
|
[EDO]C:102 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
6562 |
64.6 |
1.6 |
0.816 |
1 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]D:102 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
6364 |
64.5 |
1.3 |
0.865 |
3 |
0 |
0 |
0.002 |
33 |
35 |
|
[GOL]D:101 |
5 |
1 |
217 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
3 |
6562 |
64.3 |
-0.3 |
0.547 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]A:104 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
6603 |
63.9 |
2.4 |
0.327 |
1 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]C:102 |
4 |
1 |
184 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
6603 |
63.4 |
1.4 |
0.743 |
2 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]A:103 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
6509 |
62.7 |
1.6 |
0.830 |
2 |
0 |
0 |
0.000 |
37 |
39 |
|
D |
4 |
2 |
6364 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
2 |
6509 |
62.6 |
-1.0 |
0.367 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
C |
11 |
3 |
6562 |
◊ |
[EDO]A:103 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
187 |
62.2 |
1.7 |
0.884 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
C |
7 |
1 |
6562 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
4 |
6562 |
58.8 |
-1.4 |
0.431 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
7 |
3 |
6364 |
x |
B |
x,y,z |
1_555 |
4 |
1 |
6603 |
54.5 |
-1.2 |
0.304 |
0 |
0 |
0 |
0.000 |
Average: |
56.7 |
-1.3 |
0.368 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
A |
12 |
6 |
6509 |
x |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
6509 |
54.6 |
-1.4 |
0.174 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
D |
7 |
2 |
6364 |
◊ |
[ACT]A:106 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
182 |
54.1 |
-0.8 |
0.452 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
D |
6 |
5 |
6364 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
3 |
6603 |
52.7 |
-0.3 |
0.523 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
4 |
2 |
6562 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
3 |
6509 |
35.8 |
-0.6 |
0.380 |
0 |
0 |
0 |
0.000 |
Average: |
44.2 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[PO4]A:105 |
3 |
1 |
190 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
6603 |
49.4 |
-3.1 |
0.722 |
1 |
0 |
0 |
0.000 |
44 |
48 |
|
[EDO]C:104 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
1086 |
48.9 |
1.6 |
0.285 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[EDO]A:104 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6509 |
47.4 |
1.1 |
0.857 |
1 |
0 |
0 |
0.000 |
46 |
50 |
|
[ACT]A:106 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6509 |
46.8 |
-0.9 |
0.416 |
1 |
0 |
0 |
0.035 |
47 |
51 |
|
[EDO]D:102 |
3 |
1 |
184 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
6562 |
46.3 |
1.0 |
0.768 |
1 |
0 |
0 |
0.000 |
48 |
52 |
|
D |
6 |
5 |
6364 |
◊ |
[EDO]A:103 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
187 |
45.3 |
1.2 |
0.893 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[GOL]C:101 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
6562 |
40.8 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[EDO]E:101 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6509 |
39.7 |
1.9 |
0.986 |
1 |
0 |
0 |
0.000 |
51 |
55 |
|
[EDO]C:103 |
2 |
1 |
181 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1086 |
38.8 |
1.7 |
0.674 |
1 |
0 |
0 |
0.000 |
52 |
56 |
|
[GOL]A:101 |
3 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
1390 |
38.1 |
0.8 |
0.667 |
1 |
0 |
0 |
0.000 |
53 |
57 |
|
F |
2 |
2 |
1086 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6603 |
36.4 |
-1.2 |
0.194 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
E |
3 |
1 |
1390 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
1 |
6509 |
35.6 |
-1.1 |
0.326 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
[GOL]B:101 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6509 |
35.2 |
0.8 |
0.816 |
1 |
0 |
0 |
0.000 |
56 |
60 |
|
C |
4 |
1 |
6562 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
1086 |
30.4 |
-0.7 |
0.414 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[EDO]C:103 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
6364 |
30.1 |
1.0 |
0.922 |
1 |
0 |
0 |
0.000 |
58 |
62 |
|
[GOL]A:101 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6603 |
29.6 |
0.7 |
0.777 |
1 |
0 |
0 |
0.000 |
59 |
63 |
|
E |
4 |
2 |
1390 |
◊ |
[EDO]A:104 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
29.3 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
60 |
64 |
|
D |
1 |
1 |
6364 |
x |
D |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
6364 |
26.1 |
-0.8 |
0.157 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
[EDO]A:102 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
6603 |
25.0 |
0.3 |
0.469 |
0 |
0 |
0 |
0.000 |
62 |
66 |
|
A |
2 |
1 |
6509 |
f |
[EDO]B:102 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
20.9 |
0.2 |
0.521 |
0 |
0 |
0 |
0.000 |
63 |
67 |
|
[EDO]A:104 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1390 |
19.0 |
0.7 |
0.957 |
1 |
0 |
0 |
0.000 |
64 |
68 |
|
C |
2 |
1 |
6562 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6509 |
16.2 |
-0.5 |
0.250 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
C |
3 |
1 |
6562 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
6603 |
14.9 |
0.3 |
0.828 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
[EDO]A:104 |
1 |
1 |
185 |
f |
[GOL]A:101 |
x,y,z |
1_555 |
1 |
1 |
217 |
14.0 |
0.3 |
0.707 |
1 |
0 |
0 |
0.003 |
67 |
71 |
|
[EDO]E:101 |
1 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6603 |
12.1 |
0.6 |
0.943 |
0 |
0 |
0 |
0.000 |
68 |
72 |
|
[EDO]C:102 |
2 |
1 |
184 |
f |
A |
x,y,z-1 |
1_554 |
2 |
1 |
6509 |
11.5 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
69 |
73 |
|
D |
1 |
1 |
6364 |
◊ |
[PO4]A:105 |
x,y,z-1 |
1_554 |
4 |
1 |
190 |
11.4 |
-0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
70 |
74 |
|
C |
4 |
2 |
6562 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
6509 |
10.7 |
-0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
71 |
75 |
|
[PO4]D:103 |
1 |
1 |
187 |
◊ |
[ACT]A:106 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
182 |
9.4 |
-0.4 |
0.632 |
0 |
0 |
0 |
0.000 |
72 |
76 |
|
[EDO]C:104 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
6364 |
8.7 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
73 |
77 |
|
E |
2 |
2 |
1390 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
6603 |
6.2 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
74 |
78 |
|
[EDO]A:102 |
1 |
1 |
184 |
f |
[EDO]B:102 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
4.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
75 |
79 |
|
[ACT]A:106 |
1 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6603 |
4.1 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
76 |
80 |
|
A |
1 |
1 |
6509 |
◊ |
[EDO]A:104 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
185 |
1.6 |
-0.0 |
0.715 |
0 |
0 |
0 |
0.000 |
77 |
81 |
|
B |
1 |
1 |
6603 |
◊ |
[ACT]A:106 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
182 |
0.7 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
|