## |
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 |
|
A |
57 |
19 |
6514 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
56 |
19 |
6514 |
545.2 |
1.9 |
0.667 |
16 |
0 |
0 |
0.002 |
2 |
2 |
|
A |
44 |
9 |
6514 |
◊ |
A |
y,x,-z-1 |
6_554 |
44 |
9 |
6514 |
426.5 |
-2.1 |
0.306 |
2 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
32 |
9 |
6514 |
x |
A |
-y-1/2,x+1/2,z-1/4 |
2_454 |
30 |
12 |
6514 |
266.6 |
2.4 |
0.717 |
6 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
17 |
7 |
6514 |
x |
A |
-y-1/2,x+1/2,z+3/4 |
2_455 |
18 |
6 |
6514 |
153.0 |
-0.1 |
0.490 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
[DMS]A:212 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
6514 |
125.3 |
2.7 |
0.459 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[DMS]A:213 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
6514 |
102.1 |
1.0 |
0.307 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[DMS]A:214 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
6514 |
85.6 |
1.8 |
0.317 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
[DMS]A:211 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
6514 |
83.5 |
1.0 |
0.274 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[ACT]A:218 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6514 |
79.5 |
-0.6 |
0.521 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
10 |
5 |
6514 |
◊ |
[ACT]A:219 |
-y-1/2,x+1/2,z+3/4 |
2_455 |
4 |
1 |
182 |
79.3 |
-0.9 |
0.559 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[BR]A:206 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
6514 |
74.9 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.007 |
12 |
12 |
|
[ACT]A:216 |
4 |
1 |
184 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
12 |
6 |
6514 |
74.3 |
0.0 |
0.641 |
2 |
0 |
0 |
0.000 |
13 |
13 |
|
[ACT]A:217 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6514 |
73.2 |
-0.8 |
0.403 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[BR]A:201 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
6514 |
68.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.006 |
15 |
15 |
|
A |
7 |
2 |
6514 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
7 |
2 |
6514 |
67.4 |
-1.6 |
0.141 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[BR]A:207 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
6514 |
65.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.005 |
17 |
17 |
|
[BR]A:208 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6514 |
63.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.005 |
18 |
18 |
|
[BR]A:202 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6514 |
63.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.009 |
19 |
|
[BR]A:209 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6514 |
53.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
58.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.009 |
19 |
20 |
|
[NA]A:210 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
6514 |
62.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.007 |
20 |
21 |
|
[ACT]A:215 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
6514 |
60.9 |
-1.4 |
0.241 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[BR]A:203 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6514 |
58.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.005 |
22 |
23 |
|
[QPT]A:221 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6514 |
58.0 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
24 |
|
A |
8 |
4 |
6514 |
f |
[BR]A:205 |
-y-1/2,x+1/2,z-1/4 |
2_454 |
1 |
1 |
133 |
57.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.005 |
24 |
25 |
|
A |
11 |
4 |
6514 |
x |
A |
x,y,z-1 |
1_554 |
5 |
1 |
6514 |
53.3 |
0.6 |
0.575 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[BR]A:204 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6514 |
51.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.004 |
26 |
27 |
|
[ACT]A:216 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
6514 |
49.7 |
-0.9 |
0.447 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[ACT]A:215 |
4 |
1 |
182 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
2_454 |
8 |
4 |
6514 |
46.6 |
0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[QPT]A:220 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
6514 |
46.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.007 |
29 |
30 |
|
[BR]A:205 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
6514 |
44.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[ACT]A:218 |
4 |
1 |
182 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
6 |
3 |
6514 |
43.9 |
-0.4 |
0.496 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[ACT]A:219 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
6514 |
43.2 |
-0.9 |
0.426 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
A |
6 |
2 |
6514 |
◊ |
[ACT]A:217 |
-y-1/2,x+1/2,z+3/4 |
2_455 |
3 |
1 |
182 |
37.2 |
-0.8 |
0.501 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[BR]A:209 |
1 |
1 |
133 |
f |
[BR]A:202 |
x,y,z |
1_555 |
1 |
1 |
133 |
35.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.004 |
34 |
35 |
|
[QPT]A:221 |
1 |
1 |
125 |
f |
[BR]A:201 |
x,y,z |
1_555 |
1 |
1 |
133 |
34.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.006 |
35 |
36 |
|
[QPT]A:220 |
1 |
1 |
125 |
f |
[BR]A:204 |
x,y,z |
1_555 |
1 |
1 |
133 |
33.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.006 |
36 |
37 |
|
[ACT]A:218 |
3 |
1 |
182 |
f |
[BR]A:207 |
x,y,z |
1_555 |
1 |
1 |
133 |
32.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.002 |
37 |
38 |
|
[QPT]A:220 |
1 |
1 |
125 |
f |
[BR]A:203 |
x,y,z |
1_555 |
1 |
1 |
133 |
30.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.005 |
38 |
39 |
|
[DMS]A:213 |
1 |
1 |
205 |
◊ |
A |
-y-1/2,x+1/2,z+3/4 |
2_455 |
4 |
2 |
6514 |
29.8 |
1.0 |
0.488 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[ACT]A:217 |
3 |
1 |
182 |
◊ |
[DMS]A:214 |
x,y,z |
1_555 |
2 |
1 |
206 |
27.2 |
1.2 |
0.810 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[ACT]A:215 |
3 |
1 |
182 |
f |
[DMS]A:211 |
x,y,z |
1_555 |
3 |
1 |
206 |
26.8 |
0.7 |
0.374 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[ACT]A:216 |
3 |
1 |
184 |
f |
[BR]A:209 |
x,y,z |
1_555 |
1 |
1 |
133 |
25.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.002 |
43 |
|
[ACT]A:216 |
2 |
1 |
184 |
f |
[BR]A:202 |
x,y,z |
1_555 |
1 |
1 |
133 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
15.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
42 |
44 |
|
[ACT]A:217 |
3 |
1 |
182 |
◊ |
A |
y,x,-z-1 |
6_554 |
2 |
1 |
6514 |
17.5 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[BR]A:209 |
1 |
1 |
133 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
3 |
2 |
6514 |
16.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
[ACT]A:219 |
2 |
1 |
182 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
6514 |
15.8 |
0.5 |
0.812 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[DMS]A:211 |
1 |
1 |
206 |
f |
[BR]A:208 |
x,y,z |
1_555 |
1 |
1 |
133 |
15.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[NA]A:210 |
1 |
1 |
125 |
f |
[BR]A:207 |
x,y,z |
1_555 |
1 |
1 |
133 |
14.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.002 |
47 |
49 |
|
[BR]A:204 |
1 |
1 |
133 |
f |
[BR]A:203 |
x,y,z |
1_555 |
1 |
1 |
133 |
13.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.002 |
48 |
50 |
|
[ACT]A:217 |
3 |
1 |
182 |
◊ |
[BR]A:204 |
y,x,-z-1 |
6_554 |
1 |
1 |
133 |
10.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[QPT]A:221 |
1 |
1 |
125 |
◊ |
A |
y,x,-z-1 |
6_554 |
3 |
1 |
6514 |
7.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[ACT]A:218 |
1 |
1 |
182 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
2 |
2 |
6514 |
7.7 |
-0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[ACT]A:215 |
1 |
1 |
182 |
f |
[BR]A:208 |
x,y,z |
1_555 |
1 |
1 |
133 |
5.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[DMS]A:211 |
1 |
1 |
206 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
2_454 |
1 |
1 |
6514 |
2.5 |
0.1 |
0.414 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
[DMS]A:214 |
1 |
1 |
206 |
f |
A |
y,x,-z-1 |
6_554 |
1 |
1 |
6514 |
1.6 |
0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[QPT]A:221 |
1 |
1 |
125 |
f |
[BR]A:204 |
x,y,z |
1_555 |
1 |
1 |
133 |
1.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
A |
1 |
1 |
6514 |
x |
A |
-x-1/2,y-1/2,-z-1/4 |
7_444 |
1 |
1 |
6514 |
0.4 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
|