## |
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 |
120 |
30 |
9020 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
120 |
30 |
9020 |
1160.6 |
-10.9 |
0.334 |
14 |
4 |
0 |
1.000 |
2 |
|
C |
106 |
29 |
8730 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
102 |
29 |
8900 |
1034.0 |
-9.3 |
0.338 |
11 |
4 |
0 |
1.000 |
Average: |
1097.3 |
-10.1 |
0.336 |
13 |
4 |
0 |
1.000 |
2 |
3 |
|
B |
62 |
16 |
9020 |
◊ |
A |
x,y,z |
1_555 |
65 |
18 |
8900 |
634.1 |
-11.5 |
0.059 |
3 |
0 |
0 |
0.627 |
4 |
|
C |
63 |
20 |
8730 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
8900 |
602.4 |
-7.8 |
0.147 |
4 |
1 |
0 |
0.627 |
5 |
|
C |
64 |
18 |
8730 |
◊ |
B |
x,y,z |
1_555 |
65 |
19 |
9020 |
599.0 |
-8.7 |
0.146 |
2 |
0 |
0 |
0.627 |
Average: |
611.8 |
-9.4 |
0.117 |
3 |
0 |
0 |
0.627 |
3 |
6 |
|
[ACO]A:201 |
48 |
1 |
935 |
f |
A |
x,y,z |
1_555 |
73 |
31 |
8900 |
610.3 |
0.4 |
0.666 |
14 |
0 |
0 |
1.000 |
7 |
|
[ACO]B:201 |
47 |
1 |
922 |
f |
B |
x,y,z |
1_555 |
77 |
30 |
9020 |
601.0 |
-1.7 |
0.654 |
15 |
0 |
0 |
1.000 |
8 |
|
[ACO]C:201 |
48 |
1 |
923 |
f |
C |
x,y,z |
1_555 |
78 |
31 |
8730 |
590.3 |
0.4 |
0.700 |
17 |
0 |
0 |
1.000 |
Average: |
600.5 |
-0.3 |
0.674 |
15 |
0 |
0 |
1.000 |
4 |
9 |
|
A |
34 |
11 |
8900 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
30 |
12 |
8730 |
294.4 |
1.0 |
0.802 |
4 |
2 |
0 |
0.000 |
5 |
10 |
|
B |
26 |
7 |
9020 |
◊ |
A |
x,-y,-z |
4_555 |
26 |
9 |
8900 |
266.4 |
1.1 |
0.798 |
4 |
5 |
0 |
0.000 |
6 |
11 |
|
B |
22 |
6 |
9020 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
25 |
7 |
8900 |
222.1 |
-2.0 |
0.451 |
1 |
2 |
0 |
0.053 |
12 |
|
C |
19 |
6 |
8730 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
20 |
6 |
8730 |
192.4 |
-3.1 |
0.248 |
0 |
0 |
0 |
0.053 |
Average: |
207.3 |
-2.5 |
0.350 |
1 |
1 |
0 |
0.053 |
7 |
13 |
|
[DMS]C:202 |
4 |
1 |
212 |
f |
C |
x,y,z |
1_555 |
28 |
9 |
8730 |
123.1 |
2.5 |
0.501 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[DMS]B:202 |
4 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
9020 |
122.6 |
3.4 |
0.634 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[ACO]C:201 |
11 |
1 |
923 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9020 |
122.2 |
0.2 |
0.299 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[DMS]A:208 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
8900 |
121.6 |
1.9 |
0.450 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[ACO]A:201 |
10 |
1 |
935 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
8730 |
114.7 |
-0.3 |
0.278 |
0 |
0 |
0 |
0.008 |
18 |
|
[ACO]B:201 |
10 |
1 |
922 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8900 |
108.3 |
-0.1 |
0.369 |
0 |
0 |
0 |
0.008 |
Average: |
111.5 |
-0.2 |
0.323 |
0 |
0 |
0 |
0.008 |
12 |
19 |
|
C |
12 |
6 |
8730 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
16 |
5 |
9020 |
113.6 |
1.1 |
0.798 |
1 |
3 |
0 |
0.000 |
13 |
20 |
|
[PEG]A:209 |
7 |
1 |
263 |
f |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
20 |
6 |
8730 |
113.2 |
2.1 |
0.265 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[PEG]A:209 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
8900 |
106.0 |
3.1 |
0.354 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[DMS]B:204 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9020 |
105.8 |
1.8 |
0.406 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[DMS]A:207 |
4 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
8900 |
93.9 |
1.8 |
0.500 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
[DMS]B:203 |
4 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
9020 |
88.7 |
2.6 |
0.572 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
[DMS]A:206 |
4 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
8900 |
84.6 |
2.8 |
0.510 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[PO4]A:202 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
8900 |
84.2 |
-5.9 |
0.686 |
4 |
0 |
0 |
0.193 |
20 |
27 |
|
[GOL]A:204 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8900 |
82.4 |
-0.2 |
0.557 |
3 |
0 |
0 |
0.039 |
21 |
28 |
|
[DMS]B:203 |
3 |
1 |
208 |
f |
B |
-x,y,-z+1/2 |
3_555 |
12 |
5 |
9020 |
80.5 |
1.7 |
0.532 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[GOL]A:205 |
6 |
1 |
216 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
14 |
3 |
8730 |
75.1 |
-0.4 |
0.565 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[PO4]A:203 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8900 |
74.9 |
-4.2 |
0.813 |
2 |
0 |
0 |
0.129 |
24 |
31 |
|
[DMS]C:203 |
4 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
8730 |
72.0 |
0.9 |
0.277 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[DMS]C:203 |
4 |
1 |
211 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
8900 |
65.1 |
0.7 |
0.207 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[DMS]A:206 |
4 |
1 |
209 |
f |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
9 |
5 |
8730 |
64.7 |
1.3 |
0.368 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[GOL]A:205 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
8900 |
56.4 |
-0.7 |
0.415 |
0 |
0 |
0 |
0.017 |
28 |
35 |
|
[PO4]A:203 |
4 |
1 |
187 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
8730 |
55.7 |
-3.9 |
0.500 |
0 |
0 |
0 |
0.098 |
29 |
36 |
|
[GOL]A:205 |
4 |
1 |
216 |
f |
[GOL]A:204 |
x,y,z |
1_555 |
3 |
1 |
218 |
39.0 |
0.2 |
0.696 |
1 |
0 |
0 |
0.006 |
30 |
37 |
|
[DMS]A:207 |
4 |
1 |
210 |
◊ |
[ACO]A:201 |
x,y,z |
1_555 |
7 |
1 |
935 |
37.2 |
1.9 |
0.422 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[GOL]A:204 |
4 |
1 |
218 |
f |
[PO4]A:202 |
x,y,z |
1_555 |
4 |
1 |
189 |
35.3 |
-1.2 |
0.793 |
1 |
0 |
0 |
0.043 |
32 |
39 |
|
[DMS]C:203 |
3 |
1 |
211 |
f |
[DMS]A:207 |
x,y,z |
1_555 |
3 |
1 |
210 |
30.6 |
0.3 |
0.113 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[DMS]A:207 |
3 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
8730 |
29.8 |
0.3 |
0.134 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
B |
2 |
1 |
9020 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
9020 |
24.8 |
1.5 |
0.953 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[DMS]C:203 |
3 |
1 |
211 |
◊ |
[ACO]A:201 |
x,y,z |
1_555 |
4 |
1 |
935 |
23.7 |
0.9 |
0.355 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[GOL]A:204 |
3 |
1 |
218 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
2 |
8730 |
14.2 |
-0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[ACO]C:201 |
2 |
1 |
923 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8900 |
12.3 |
-0.5 |
0.436 |
0 |
0 |
0 |
0.016 |
45 |
|
[ACO]A:201 |
1 |
1 |
935 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9020 |
6.6 |
-0.3 |
0.378 |
0 |
0 |
0 |
0.016 |
Average: |
9.4 |
-0.4 |
0.407 |
0 |
0 |
0 |
0.016 |
38 |
46 |
|
[ACO]B:201 |
1 |
1 |
922 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8730 |
5.7 |
-0.3 |
0.374 |
0 |
0 |
0 |
0.005 |
39 |
47 |
|
A |
1 |
1 |
8900 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
9020 |
5.0 |
0.2 |
0.835 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
A |
1 |
1 |
8900 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
8900 |
1.0 |
0.0 |
0.735 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[GOL]A:205 |
1 |
1 |
216 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
9020 |
0.8 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
|