## |
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 |
56 |
18 |
6531 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
57 |
18 |
6531 |
553.8 |
2.5 |
0.684 |
16 |
0 |
0 |
0.012 |
2 |
2 |
|
A |
46 |
9 |
6531 |
◊ |
A |
y,x,-z+1 |
7_556 |
46 |
9 |
6531 |
405.2 |
-1.2 |
0.383 |
6 |
8 |
0 |
0.014 |
3 |
3 |
|
A |
36 |
12 |
6531 |
x |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
29 |
9 |
6531 |
274.1 |
2.6 |
0.732 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
21 |
6 |
6531 |
x |
A |
-y-1/2,x-1/2,z+3/4 |
3_445 |
20 |
8 |
6531 |
153.5 |
-0.1 |
0.489 |
3 |
0 |
0 |
0.000 |
5 |
5 |
|
[EDO]A:222 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
6531 |
89.4 |
2.9 |
0.424 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
7 |
2 |
6531 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
7 |
2 |
6531 |
70.3 |
-1.7 |
0.124 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
6531 |
70.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.063 |
8 |
8 |
|
[CL]A:216 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
6531 |
65.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.052 |
9 |
9 |
|
[CL]A:215 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6531 |
62.2 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.048 |
10 |
10 |
|
[CL]A:218 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6531 |
60.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.045 |
11 |
11 |
|
[CL]A:212 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
6531 |
59.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.044 |
12 |
12 |
|
[CL]A:217 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6531 |
57.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.042 |
13 |
13 |
|
[CL]A:220 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6531 |
56.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.044 |
14 |
14 |
|
[NA]A:221 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
6531 |
54.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.052 |
15 |
15 |
|
[CL]A:211 |
1 |
1 |
125 |
f |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
9 |
4 |
6531 |
54.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.041 |
16 |
16 |
|
[CD]A:207 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6531 |
54.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.029 |
17 |
17 |
|
A |
5 |
1 |
6531 |
x |
A |
x,y,z-1 |
1_554 |
12 |
4 |
6531 |
53.9 |
0.5 |
0.567 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
[CD]A:204 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
6531 |
53.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.025 |
19 |
19 |
|
[CL]A:219 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6531 |
47.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.032 |
20 |
20 |
|
[CD]A:209 |
1 |
1 |
112 |
f |
A |
-y,-x,-z+1/2 |
8_555 |
11 |
6 |
6531 |
47.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.026 |
21 |
21 |
|
[CD]A:206 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
6531 |
46.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
22 |
|
[CL]A:214 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
6531 |
46.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.028 |
23 |
23 |
|
[CL]A:219 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
5 |
3 |
6531 |
44.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.029 |
24 |
24 |
|
[CD]A:205 |
1 |
1 |
112 |
f |
[CD]A:205 |
y,x,-z+1 |
7_556 |
1 |
1 |
112 |
43.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.100 |
25 |
25 |
|
[CD]A:210 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6531 |
40.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.056 |
26 |
|
[CD]A:201 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
6531 |
34.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.056 |
27 |
|
[CD]A:202 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6531 |
33.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
36.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.056 |
26 |
28 |
|
[CL]A:211 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6531 |
40.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[CD]A:203 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
6531 |
38.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.019 |
28 |
30 |
|
[CD]A:205 |
1 |
1 |
112 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
6531 |
38.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.035 |
29 |
31 |
|
[CL]A:218 |
1 |
1 |
125 |
f |
[CD]A:208 |
x,y,z |
1_555 |
1 |
1 |
112 |
36.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.036 |
30 |
32 |
|
[CD]A:208 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6531 |
36.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.017 |
31 |
33 |
|
[CD]A:209 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6531 |
35.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.014 |
32 |
34 |
|
[CL]A:216 |
1 |
1 |
125 |
f |
[CD]A:206 |
x,y,z |
1_555 |
1 |
1 |
112 |
31.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.031 |
33 |
35 |
|
[CL]A:212 |
1 |
1 |
125 |
f |
[CD]A:204 |
x,y,z |
1_555 |
1 |
1 |
112 |
29.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.029 |
34 |
36 |
|
A |
3 |
2 |
6531 |
◊ |
[CD]A:203 |
-y-1/2,x-1/2,z+3/4 |
3_445 |
1 |
1 |
112 |
24.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[CD]A:202 |
1 |
1 |
112 |
f |
[CD]A:201 |
x,y,z |
1_555 |
1 |
1 |
112 |
24.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.021 |
36 |
38 |
|
[CL]A:214 |
1 |
1 |
125 |
f |
[CD]A:201 |
x,y,z |
1_555 |
1 |
1 |
112 |
20.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.020 |
37 |
39 |
|
[CL]A:214 |
1 |
1 |
125 |
f |
[CD]A:210 |
x,y,z |
1_555 |
1 |
1 |
112 |
20.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.020 |
38 |
40 |
|
[CD]A:210 |
1 |
1 |
112 |
f |
[CD]A:201 |
x,y,z |
1_555 |
1 |
1 |
112 |
19.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
41 |
|
[EDO]A:222 |
1 |
1 |
183 |
f |
[CL]A:214 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
40 |
42 |
|
[CD]A:205 |
1 |
1 |
112 |
x |
A |
-y-1/2,x-1/2,z+3/4 |
3_445 |
3 |
1 |
6531 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[NA]A:221 |
1 |
1 |
125 |
f |
[CD]A:204 |
x,y,z |
1_555 |
1 |
1 |
112 |
16.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.016 |
42 |
44 |
|
[CL]A:220 |
1 |
1 |
125 |
◊ |
A |
y,x,-z+1 |
7_556 |
1 |
1 |
6531 |
16.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
43 |
45 |
|
[CL]A:214 |
1 |
1 |
125 |
f |
[CD]A:202 |
x,y,z |
1_555 |
1 |
1 |
112 |
15.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.015 |
44 |
46 |
|
[CL]A:217 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
2 |
2 |
6531 |
15.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
45 |
47 |
|
[EDO]A:222 |
3 |
1 |
183 |
f |
[CD]A:201 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
48 |
|
[EDO]A:222 |
2 |
1 |
183 |
f |
[CD]A:202 |
x,y,z |
1_555 |
1 |
1 |
112 |
10.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
49 |
|
[EDO]A:222 |
1 |
1 |
183 |
f |
[CD]A:210 |
x,y,z |
1_555 |
1 |
1 |
112 |
10.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
11.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
46 |
50 |
|
[CD]A:206 |
1 |
1 |
112 |
◊ |
[CD]A:206 |
y,x,-z+1 |
7_556 |
1 |
1 |
112 |
13.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
47 |
51 |
|
[NA]A:221 |
1 |
1 |
125 |
f |
[CL]A:212 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.014 |
48 |
52 |
|
[CD]A:210 |
1 |
1 |
112 |
f |
[CD]A:202 |
x,y,z |
1_555 |
1 |
1 |
112 |
11.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
49 |
53 |
|
[CL]A:219 |
1 |
1 |
125 |
◊ |
[CL]A:217 |
-y,-x,-z+1/2 |
8_555 |
1 |
1 |
125 |
11.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
50 |
54 |
|
A |
1 |
1 |
6531 |
◊ |
[CD]A:209 |
x-1/2,-y-1/2,-z+1/4 |
6_445 |
1 |
1 |
112 |
10.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
A |
2 |
1 |
6531 |
◊ |
[CD]A:203 |
-y-1/2,x-1/2,z-1/4 |
3_444 |
1 |
1 |
112 |
9.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[CL]A:219 |
1 |
1 |
125 |
◊ |
[CD]A:204 |
-y,-x,-z+1/2 |
8_555 |
1 |
1 |
112 |
4.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
53 |
57 |
|
[CD]A:203 |
1 |
1 |
112 |
f |
[CD]A:202 |
x,y,z |
1_555 |
1 |
1 |
112 |
3.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
54 |
58 |
|
[CD]A:206 |
1 |
1 |
112 |
◊ |
A |
y,x,-z+1 |
7_556 |
1 |
1 |
6531 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
A |
1 |
1 |
6531 |
◊ |
[CD]A:208 |
x,y,z-1 |
1_554 |
1 |
1 |
112 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|