## |
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 |
629 |
64 |
16547 |
◊ |
B |
x,y,z |
1_555 |
665 |
185 |
67302 |
5799.1 |
-121.3 |
0.377 |
108 |
0 |
0 |
0.145 |
2 |
2 |
|
C |
180 |
27 |
6505 |
◊ |
B |
x,y,z |
1_555 |
159 |
57 |
67302 |
1413.1 |
-12.3 |
0.636 |
19 |
0 |
0 |
0.032 |
3 |
3 |
|
A |
116 |
22 |
16547 |
◊ |
C |
x,y,z |
1_555 |
113 |
20 |
6505 |
1008.7 |
-8.4 |
0.874 |
44 |
0 |
0 |
0.141 |
4 |
4 |
|
B |
66 |
21 |
67302 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
76 |
21 |
67302 |
723.4 |
4.3 |
0.879 |
16 |
8 |
0 |
0.000 |
5 |
5 |
|
D |
53 |
5 |
1998 |
◊ |
B |
x,y,z |
1_555 |
60 |
22 |
67302 |
598.7 |
-1.0 |
0.670 |
12 |
0 |
0 |
0.010 |
6 |
6 |
|
B |
52 |
17 |
67302 |
◊ |
B |
-x,y,-z+1 |
2_556 |
52 |
17 |
67302 |
497.1 |
-0.8 |
0.586 |
2 |
2 |
0 |
0.000 |
7 |
7 |
|
D |
40 |
8 |
1998 |
◊ |
C |
x,y,z |
1_555 |
38 |
8 |
6505 |
370.3 |
-2.8 |
0.653 |
19 |
0 |
0 |
0.974 |
8 |
8 |
|
B |
37 |
14 |
67302 |
x |
B |
x,y-1,z |
1_545 |
41 |
14 |
67302 |
297.8 |
3.6 |
0.776 |
3 |
3 |
0 |
0.000 |
9 |
9 |
|
B |
19 |
6 |
67302 |
◊ |
B |
-x,y,-z |
2_555 |
19 |
6 |
67302 |
191.2 |
1.2 |
0.745 |
2 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
26 |
5 |
16547 |
◊ |
B |
-x,y,-z |
2_555 |
18 |
4 |
67302 |
185.1 |
-4.1 |
0.500 |
3 |
0 |
0 |
0.007 |
11 |
11 |
|
B |
17 |
6 |
67302 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
15 |
5 |
67302 |
146.3 |
-0.6 |
0.463 |
2 |
0 |
0 |
0.000 |
12 |
12 |
|
[K]B:1404 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
67302 |
127.9 |
-65.5 |
0.000 |
0 |
0 |
0 |
0.100 |
13 |
13 |
|
B |
16 |
5 |
67302 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
8 |
67302 |
124.6 |
1.8 |
0.811 |
2 |
4 |
0 |
0.000 |
14 |
14 |
|
[K]A:103 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16547 |
123.4 |
-68.9 |
0.000 |
0 |
0 |
0 |
0.348 |
15 |
15 |
|
[K]B:1401 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
67302 |
121.2 |
-94.8 |
0.000 |
0 |
0 |
0 |
0.145 |
16 |
16 |
|
[K]A:102 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
67302 |
120.8 |
-70.3 |
0.000 |
0 |
0 |
0 |
0.107 |
17 |
17 |
|
[K]B:1407 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
67302 |
119.4 |
-79.0 |
0.000 |
0 |
0 |
0 |
0.121 |
18 |
18 |
|
B |
14 |
4 |
67302 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
2 |
16547 |
118.0 |
2.8 |
0.917 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]B:1410 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
67302 |
111.7 |
2.7 |
0.382 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[EDO]B:1409 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
67302 |
108.6 |
3.1 |
0.380 |
5 |
0 |
0 |
0.000 |
21 |
21 |
|
[K]B:1406 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
67302 |
103.4 |
-74.3 |
0.000 |
0 |
0 |
0 |
0.114 |
22 |
22 |
|
[EDO]B:1411 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
18 |
10 |
67302 |
101.1 |
4.7 |
0.813 |
2 |
0 |
0 |
0.000 |
23 |
23 |
|
A |
15 |
1 |
16547 |
◊ |
C |
-x,y,-z |
2_555 |
13 |
1 |
6505 |
100.0 |
2.5 |
0.881 |
0 |
0 |
0 |
0.000 |
24 |
24 |
|
[K]B:1402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
67302 |
99.2 |
-73.2 |
0.000 |
0 |
0 |
0 |
0.176 |
25 |
|
[K]B:1403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
67302 |
70.7 |
-42.2 |
0.000 |
0 |
0 |
0 |
0.176 |
Average: |
84.9 |
-57.7 |
0.000 |
0 |
0 |
0 |
0.176 |
25 |
26 |
|
[K]A:101 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
16547 |
96.1 |
-56.8 |
0.000 |
0 |
0 |
0 |
0.287 |
26 |
27 |
|
[K]B:1405 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
67302 |
95.1 |
-60.9 |
0.000 |
0 |
0 |
0 |
0.093 |
27 |
28 |
|
[EDO]B:1408 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
67302 |
90.1 |
2.2 |
0.258 |
4 |
0 |
0 |
0.000 |
28 |
29 |
|
[EDO]A:107 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
16547 |
81.5 |
1.2 |
0.483 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[K]B:1403 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
16547 |
71.8 |
-41.0 |
0.000 |
0 |
0 |
0 |
0.035 |
30 |
31 |
|
[ACT]A:108 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
16547 |
69.7 |
-0.7 |
0.749 |
2 |
0 |
0 |
0.008 |
31 |
32 |
|
[EDO]A:107 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
67302 |
69.3 |
1.4 |
0.818 |
2 |
0 |
0 |
0.000 |
32 |
33 |
|
[K]A:102 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
1 |
16547 |
67.5 |
-38.2 |
0.000 |
0 |
0 |
0 |
0.033 |
33 |
34 |
|
[ACT]A:108 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
67302 |
60.3 |
0.4 |
0.782 |
1 |
0 |
0 |
0.000 |
34 |
35 |
|
[K]A:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
67302 |
59.4 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.026 |
35 |
36 |
|
[K]A:103 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
67302 |
56.0 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
37 |
|
[MG]A:104 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16547 |
54.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.042 |
37 |
38 |
|
[EDO]B:1408 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
16547 |
52.5 |
1.9 |
0.320 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
[K]B:1403 |
1 |
1 |
216 |
f |
[K]B:1402 |
x,y,z |
1_555 |
1 |
1 |
216 |
46.3 |
-46.3 |
0.000 |
0 |
0 |
0 |
0.071 |
39 |
40 |
|
[K]B:1404 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16547 |
45.1 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.021 |
40 |
41 |
|
[MG]A:106 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
16547 |
45.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.032 |
41 |
42 |
|
[EDO]B:1411 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
16547 |
40.9 |
-0.2 |
0.738 |
0 |
0 |
0 |
0.001 |
42 |
43 |
|
[MG]A:105 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16547 |
39.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.027 |
43 |
44 |
|
[K]B:1404 |
1 |
1 |
216 |
◊ |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.0 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.029 |
44 |
45 |
|
[K]B:1402 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
16547 |
29.3 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
46 |
|
[MG]A:106 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
67302 |
29.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.002 |
46 |
47 |
|
[K]B:1401 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6505 |
28.8 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.022 |
47 |
48 |
|
[K]B:1407 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
6505 |
28.2 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.022 |
48 |
49 |
|
A |
4 |
1 |
16547 |
◊ |
D |
-x,y,-z |
2_555 |
5 |
1 |
1998 |
25.6 |
0.3 |
0.641 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[MG]A:105 |
1 |
1 |
98 |
f |
[K]A:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.6 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.072 |
50 |
51 |
|
[MG]A:105 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
67302 |
22.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.002 |
51 |
52 |
|
[ACT]A:108 |
3 |
1 |
182 |
f |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.039 |
52 |
53 |
|
[MG]A:104 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
67302 |
11.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[EDO]B:1410 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
1998 |
11.6 |
-0.3 |
0.540 |
0 |
0 |
0 |
0.100 |
54 |
55 |
|
[K]B:1407 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16547 |
11.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.005 |
55 |
56 |
|
A |
3 |
1 |
16547 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
67302 |
8.9 |
-0.0 |
0.470 |
0 |
0 |
0 |
0.000 |
|