## |
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 |
119 |
38 |
9335 |
◊ |
C |
x,y,z |
1_555 |
108 |
27 |
9166 |
1009.4 |
-5.1 |
0.422 |
17 |
0 |
0 |
0.240 |
2 |
2 |
|
A |
94 |
33 |
9238 |
◊ |
C |
x,y,z |
1_555 |
88 |
21 |
9166 |
731.3 |
-6.3 |
0.273 |
14 |
1 |
0 |
0.095 |
3 |
3 |
|
A |
49 |
14 |
9238 |
x |
A |
x-1/2,-y+1/2,-z |
8_455 |
59 |
19 |
9238 |
505.3 |
-0.9 |
0.543 |
7 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
41 |
15 |
9335 |
◊ |
A |
x,-y,-z |
4_555 |
42 |
12 |
9238 |
401.7 |
-4.2 |
0.214 |
1 |
0 |
0 |
0.026 |
5 |
5 |
|
C |
33 |
11 |
9166 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
41 |
12 |
9238 |
347.0 |
-5.0 |
0.107 |
2 |
0 |
0 |
0.000 |
6 |
6 |
|
A |
29 |
9 |
9238 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
25 |
9 |
9166 |
270.7 |
-2.3 |
0.357 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
C |
22 |
9 |
9166 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
22 |
9 |
9166 |
163.0 |
-0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[GOL]C:178 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
9166 |
126.4 |
0.0 |
0.606 |
4 |
0 |
0 |
0.033 |
9 |
9 |
|
[GOL]C:179 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
9166 |
122.2 |
-1.2 |
0.460 |
1 |
0 |
0 |
0.031 |
10 |
10 |
|
[EDO]B:7 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
9335 |
119.6 |
3.8 |
0.697 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
[GOL]A:12 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
9238 |
119.5 |
-0.5 |
0.520 |
4 |
0 |
0 |
0.017 |
12 |
12 |
|
[EDO]B:8 |
4 |
1 |
185 |
cf |
B |
x,y,z |
1_555 |
19 |
11 |
9335 |
116.6 |
3.4 |
0.461 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
[GOL]B:1 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
9335 |
111.6 |
-0.5 |
0.537 |
3 |
0 |
0 |
0.034 |
14 |
14 |
|
[GOL]A:2 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
9238 |
107.7 |
-0.9 |
0.490 |
2 |
0 |
0 |
0.013 |
15 |
15 |
|
[PEG]B:240 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9335 |
106.3 |
2.8 |
0.331 |
3 |
0 |
0 |
0.000 |
16 |
16 |
|
[GOL]A:239 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9238 |
98.7 |
-1.1 |
0.436 |
1 |
0 |
0 |
0.011 |
17 |
17 |
|
[SO4]C:183 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
9166 |
97.7 |
-14.2 |
0.820 |
2 |
0 |
0 |
0.286 |
18 |
18 |
|
[ACT]C:182 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
9166 |
90.7 |
-0.9 |
0.621 |
0 |
0 |
0 |
0.016 |
19 |
19 |
|
B |
10 |
3 |
9335 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
10 |
3 |
9335 |
90.1 |
0.1 |
0.631 |
2 |
0 |
0 |
0.000 |
20 |
20 |
|
B |
9 |
4 |
9335 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
14 |
6 |
9166 |
85.8 |
0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
A |
15 |
4 |
9238 |
f |
[SO4]A:240 |
x-1/2,-y+1/2,-z |
8_455 |
5 |
1 |
185 |
83.4 |
-11.6 |
0.706 |
1 |
0 |
0 |
0.091 |
22 |
22 |
|
[ACT]A:6 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
9238 |
83.1 |
-1.8 |
0.377 |
0 |
0 |
0 |
0.013 |
23 |
23 |
|
[ACT]B:2 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
9166 |
83.0 |
-0.9 |
0.521 |
1 |
0 |
0 |
0.026 |
24 |
24 |
|
[EDO]B:3 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
9 |
9166 |
79.4 |
2.1 |
0.275 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
B |
9 |
4 |
9335 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
12 |
5 |
9166 |
78.1 |
0.9 |
0.789 |
1 |
1 |
0 |
0.000 |
26 |
26 |
|
[GOL]C:180 |
6 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
9166 |
76.9 |
-0.5 |
0.394 |
0 |
0 |
0 |
0.004 |
27 |
27 |
|
[EDO]B:239 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
9335 |
75.7 |
2.3 |
0.244 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[GOL]A:239 |
6 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
9166 |
72.7 |
-1.0 |
0.361 |
0 |
0 |
0 |
0.007 |
29 |
29 |
|
B |
9 |
5 |
9335 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
7 |
5 |
9166 |
72.6 |
-0.4 |
0.366 |
0 |
0 |
0 |
0.000 |
30 |
30 |
|
[NA]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9238 |
67.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.080 |
31 |
31 |
|
[GOL]B:1 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
9166 |
66.5 |
-0.8 |
0.446 |
0 |
0 |
0 |
0.016 |
32 |
32 |
|
[EDO]B:3 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9335 |
66.0 |
1.5 |
0.689 |
3 |
0 |
0 |
0.000 |
33 |
33 |
|
[NA]A:7 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
9238 |
63.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.056 |
34 |
34 |
|
[ACT]C:181 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
9166 |
61.7 |
-1.3 |
0.499 |
0 |
0 |
0 |
0.010 |
35 |
35 |
|
[SO4]A:240 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9238 |
57.8 |
-8.2 |
0.599 |
1 |
0 |
0 |
0.000 |
36 |
36 |
|
A |
7 |
4 |
9238 |
◊ |
[GOL]C:180 |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
221 |
54.6 |
-0.9 |
0.314 |
0 |
0 |
0 |
0.000 |
37 |
37 |
|
[GOL]C:180 |
3 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9238 |
54.3 |
-1.0 |
0.339 |
0 |
0 |
0 |
0.007 |
38 |
38 |
|
B |
5 |
2 |
9335 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
5 |
2 |
9335 |
53.7 |
2.3 |
0.940 |
0 |
0 |
0 |
0.000 |
39 |
39 |
|
[CA]A:5 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9238 |
49.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.092 |
40 |
40 |
|
[ACT]B:2 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9335 |
49.1 |
-0.9 |
0.486 |
0 |
0 |
0 |
0.017 |
41 |
41 |
|
[CA]A:9 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9238 |
48.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.062 |
42 |
42 |
|
[CA]A:8 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
9238 |
46.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.122 |
43 |
|
[CA]B:11 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9335 |
37.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
41.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.122 |
43 |
44 |
|
[ACT]A:6 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
9166 |
45.5 |
0.4 |
0.804 |
1 |
0 |
0 |
0.000 |
44 |
45 |
|
[NA]A:3 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
9238 |
45.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.038 |
45 |
46 |
|
[CA]A:4 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9238 |
44.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.062 |
46 |
47 |
|
[NA]A:3 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
9166 |
39.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.032 |
47 |
48 |
|
[CA]B:6 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
9335 |
39.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.154 |
48 |
49 |
|
[GOL]A:2 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9166 |
38.2 |
-0.7 |
0.407 |
0 |
0 |
0 |
0.005 |
49 |
50 |
|
[NA]A:7 |
1 |
1 |
125 |
f |
[ACT]A:6 |
x,y,z |
1_555 |
1 |
1 |
183 |
37.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.032 |
50 |
51 |
|
[SO4]C:183 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9335 |
37.0 |
-5.0 |
0.473 |
0 |
0 |
0 |
0.095 |
51 |
52 |
|
[EDO]B:239 |
4 |
1 |
182 |
f |
[EDO]B:239 |
-x,y,-z-1/2 |
3_554 |
4 |
1 |
182 |
35.4 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
52 |
53 |
|
[ACT]C:181 |
3 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
9238 |
33.7 |
-0.6 |
0.297 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[ACT]C:182 |
4 |
1 |
183 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
4 |
2 |
9238 |
33.5 |
-0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
[EDO]B:8 |
3 |
1 |
185 |
f |
[EDO]B:7 |
x,y,z |
1_555 |
3 |
1 |
184 |
32.8 |
2.1 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[ACT]C:181 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9238 |
31.0 |
-0.2 |
0.671 |
0 |
0 |
0 |
0.002 |
56 |
57 |
|
[CA]A:10 |
1 |
1 |
85 |
f |
B |
x,-y,-z |
4_555 |
4 |
2 |
9335 |
30.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.107 |
57 |
58 |
|
A |
2 |
1 |
9238 |
◊ |
[CA]A:8 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
85 |
26.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[CA]A:10 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9238 |
24.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.021 |
59 |
60 |
|
[NA]A:3 |
1 |
1 |
125 |
f |
[ACT]C:181 |
x,y,z |
1_555 |
1 |
1 |
183 |
21.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.017 |
60 |
61 |
|
[ACT]C:181 |
3 |
1 |
183 |
f |
[GOL]A:2 |
x,y,z |
1_555 |
2 |
1 |
215 |
20.5 |
0.2 |
0.718 |
1 |
0 |
0 |
0.002 |
61 |
62 |
|
[NA]A:7 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9166 |
15.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
62 |
63 |
|
B |
2 |
1 |
9335 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
4 |
2 |
9238 |
15.6 |
0.5 |
0.663 |
0 |
0 |
0 |
0.000 |
63 |
64 |
|
[GOL]C:180 |
2 |
1 |
221 |
f |
[GOL]A:239 |
x,y,z |
1_555 |
2 |
1 |
216 |
15.0 |
0.3 |
0.661 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[CA]B:6 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9166 |
14.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.049 |
65 |
66 |
|
[NA]A:3 |
1 |
1 |
125 |
f |
[GOL]A:2 |
x,y,z |
1_555 |
2 |
1 |
215 |
12.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
66 |
67 |
|
[CA]A:9 |
1 |
1 |
85 |
◊ |
[CA]A:10 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
67 |
68 |
|
C |
1 |
1 |
9166 |
◊ |
[SO4]A:240 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
185 |
5.4 |
-0.6 |
0.781 |
0 |
0 |
0 |
0.005 |
68 |
69 |
|
[CA]A:5 |
1 |
1 |
85 |
f |
[NA]A:7 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
69 |
70 |
|
[NA]A:3 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
2 |
2 |
9238 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|