## |
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 |
162 |
42 |
15372 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
162 |
41 |
15372 |
1477.1 |
-15.0 |
0.159 |
9 |
2 |
0 |
0.220 |
2 |
2 |
|
B |
86 |
23 |
15152 |
◊ |
A |
x,y,z |
1_555 |
84 |
24 |
15372 |
866.3 |
-13.6 |
0.041 |
4 |
1 |
0 |
0.018 |
3 |
3 |
|
B |
66 |
18 |
15152 |
◊ |
A |
-x+5/2,y-1/2,-z+2 |
4_747 |
53 |
18 |
15372 |
577.9 |
-0.1 |
0.738 |
11 |
8 |
0 |
0.000 |
4 |
4 |
|
[E6Z]A:1026 |
30 |
1 |
667 |
f |
A |
x,y,z |
1_555 |
54 |
23 |
15372 |
452.5 |
4.0 |
0.261 |
4 |
0 |
0 |
0.000 |
5 |
|
[E6Z]B:1013 |
30 |
1 |
666 |
f |
B |
x,y,z |
1_555 |
55 |
23 |
15152 |
445.6 |
3.9 |
0.306 |
4 |
0 |
0 |
0.000 |
Average: |
449.1 |
4.0 |
0.283 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
36 |
15 |
15152 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
13 |
15372 |
308.6 |
-0.0 |
0.672 |
4 |
2 |
0 |
0.000 |
6 |
7 |
|
B |
24 |
5 |
15152 |
x |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
26 |
8 |
15152 |
264.1 |
3.3 |
0.888 |
7 |
3 |
0 |
0.000 |
7 |
8 |
|
[GAI]A:1015 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15372 |
113.8 |
0.5 |
0.544 |
2 |
0 |
0 |
0.009 |
8 |
9 |
|
[EDO]A:1012 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
15372 |
112.4 |
1.8 |
0.374 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[GAI]A:1022 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
15372 |
111.9 |
0.6 |
0.593 |
2 |
0 |
0 |
0.007 |
10 |
11 |
|
[EDO]A:1006 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
15372 |
111.6 |
4.3 |
0.516 |
4 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]B:1007 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
15152 |
110.9 |
3.9 |
0.490 |
4 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]A:1005 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
15372 |
110.4 |
4.1 |
0.704 |
5 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:1003 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
15372 |
109.7 |
3.9 |
0.490 |
5 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]A:1008 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
15372 |
105.3 |
2.8 |
0.440 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[GAI]A:1020 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
15372 |
101.1 |
0.2 |
0.422 |
2 |
0 |
0 |
0.016 |
16 |
17 |
|
[EDO]B:1003 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
15152 |
101.0 |
2.7 |
0.476 |
3 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:1009 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
15152 |
99.6 |
2.6 |
0.434 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[GAI]A:1016 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15372 |
96.1 |
0.6 |
0.475 |
2 |
0 |
0 |
0.007 |
19 |
20 |
|
[EDO]A:1013 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
15372 |
95.3 |
2.8 |
0.415 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[GAI]A:1021 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15372 |
94.5 |
0.5 |
0.462 |
3 |
0 |
0 |
0.018 |
21 |
22 |
|
[GAI]A:1017 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
15372 |
93.9 |
0.4 |
0.453 |
1 |
0 |
0 |
0.001 |
22 |
23 |
|
[EDO]A:1007 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
15372 |
93.5 |
2.3 |
0.445 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]B:1006 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
15152 |
93.0 |
2.2 |
0.402 |
1 |
0 |
0 |
0.000 |
24 |
25 |
|
[FMT]B:1012 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
9 |
8 |
15152 |
91.1 |
0.1 |
0.434 |
2 |
0 |
0 |
0.002 |
25 |
26 |
|
[EDO]B:1004 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
15152 |
91.0 |
2.0 |
0.254 |
3 |
0 |
0 |
0.000 |
26 |
27 |
|
[E6Z]A:1026 |
11 |
1 |
667 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
10 |
3 |
15372 |
88.7 |
-1.4 |
0.113 |
0 |
0 |
0 |
0.032 |
27 |
28 |
|
[EDO]B:1008 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
15152 |
88.2 |
1.9 |
0.220 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
B |
16 |
6 |
15152 |
◊ |
[EDO]A:1009 |
x,y,z-1 |
1_554 |
4 |
1 |
182 |
83.9 |
2.4 |
0.257 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[GAI]B:1010 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
15152 |
83.5 |
0.1 |
0.430 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]A:1004 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15372 |
83.4 |
2.0 |
0.274 |
2 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]A:1014 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
15372 |
83.1 |
1.5 |
0.179 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[GAI]B:1011 |
4 |
1 |
184 |
f |
B |
-x+5/2,y-1/2,-z+2 |
4_747 |
13 |
6 |
15152 |
82.1 |
0.8 |
0.527 |
2 |
0 |
0 |
0.000 |
33 |
34 |
|
[FMT]A:1023 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15372 |
82.0 |
0.1 |
0.417 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[FMT]A:1024 |
3 |
1 |
151 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15372 |
80.7 |
0.1 |
0.447 |
1 |
0 |
0 |
0.008 |
35 |
36 |
|
[EDO]B:1005 |
4 |
1 |
186 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
6 |
15372 |
79.7 |
1.8 |
0.445 |
1 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:1010 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15372 |
79.5 |
1.9 |
0.255 |
1 |
0 |
0 |
0.000 |
37 |
38 |
|
[EDO]A:1011 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
15372 |
79.4 |
2.5 |
0.299 |
2 |
0 |
0 |
0.000 |
38 |
39 |
|
B |
15 |
7 |
15152 |
f |
[GAI]A:1018 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
75.9 |
1.1 |
0.604 |
3 |
0 |
0 |
0.000 |
39 |
40 |
|
[GAI]B:1011 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
15152 |
71.7 |
1.1 |
0.539 |
1 |
0 |
0 |
0.000 |
40 |
41 |
|
[FMT]A:1025 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15372 |
68.8 |
0.2 |
0.677 |
1 |
0 |
0 |
0.005 |
41 |
42 |
|
B |
9 |
4 |
15152 |
f |
[EDO]A:1010 |
-x+5/2,y-1/2,-z+2 |
4_747 |
4 |
1 |
185 |
65.4 |
1.8 |
0.793 |
1 |
0 |
0 |
0.000 |
42 |
43 |
|
[FMT]A:1027 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
15372 |
65.2 |
-0.1 |
0.408 |
1 |
0 |
0 |
0.013 |
43 |
44 |
|
[EDO]A:1009 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15372 |
64.3 |
1.4 |
0.282 |
2 |
0 |
0 |
0.000 |
44 |
45 |
|
[GAI]A:1019 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15372 |
63.8 |
0.1 |
0.373 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[GAI]B:1010 |
4 |
1 |
185 |
f |
A |
x,y,z-1 |
1_554 |
11 |
4 |
15372 |
60.3 |
-0.0 |
0.373 |
0 |
0 |
0 |
0.001 |
46 |
47 |
|
[GAI]A:1018 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
15372 |
59.9 |
0.2 |
0.391 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[EDO]B:1005 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15152 |
58.6 |
1.8 |
0.303 |
1 |
0 |
0 |
0.000 |
48 |
49 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15372 |
56.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.181 |
50 |
|
[MG]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15152 |
55.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
56.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.181 |
49 |
51 |
|
B |
9 |
4 |
15152 |
◊ |
[EDO]A:1011 |
-x+5/2,y-1/2,-z+2 |
4_747 |
4 |
1 |
185 |
55.4 |
1.3 |
0.833 |
1 |
0 |
0 |
0.000 |
50 |
52 |
|
[EDO]B:1006 |
3 |
1 |
183 |
f |
A |
x,y,z-1 |
1_554 |
8 |
3 |
15372 |
54.4 |
1.1 |
0.191 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[FMT]A:1027 |
3 |
1 |
150 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
15152 |
53.6 |
-0.4 |
0.338 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
B |
6 |
3 |
15152 |
f |
[GAI]A:1019 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
47.0 |
0.3 |
0.322 |
1 |
0 |
0 |
0.000 |
53 |
55 |
|
[EDO]A:1004 |
2 |
1 |
183 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
7 |
2 |
15372 |
46.8 |
1.1 |
0.502 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[ZN]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15372 |
44.8 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.771 |
57 |
|
[ZN]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15152 |
44.3 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.771 |
Average: |
44.5 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.771 |
55 |
58 |
|
B |
3 |
1 |
15152 |
◊ |
A |
-x+5/2,y-1/2,-z+3 |
4_748 |
3 |
1 |
15372 |
34.3 |
0.2 |
0.697 |
1 |
0 |
0 |
0.000 |
56 |
59 |
|
[EDO]B:1009 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15372 |
34.2 |
1.9 |
0.688 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[GAI]A:1021 |
3 |
1 |
183 |
f |
[GAI]A:1020 |
x,y,z |
1_555 |
4 |
1 |
185 |
32.8 |
0.1 |
0.125 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[E6Z]A:1026 |
3 |
1 |
667 |
f |
[GAI]A:1022 |
x,y,z |
1_555 |
4 |
1 |
184 |
31.8 |
0.2 |
0.235 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[EDO]A:1013 |
2 |
1 |
182 |
f |
[EDO]A:1008 |
x,y,z |
1_555 |
3 |
1 |
182 |
30.4 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
60 |
63 |
|
B |
3 |
1 |
15152 |
f |
[EDO]A:1013 |
x,y,z-1 |
1_554 |
2 |
1 |
182 |
27.1 |
1.7 |
0.981 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
[EDO]B:1004 |
3 |
1 |
185 |
f |
[EDO]A:1011 |
-x+5/2,y-1/2,-z+2 |
4_747 |
3 |
1 |
185 |
26.1 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
62 |
65 |
|
[EDO]B:1005 |
3 |
1 |
186 |
f |
[GAI]A:1018 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
25.6 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[FMT]A:1024 |
2 |
1 |
151 |
f |
[GAI]A:1017 |
x,y,z |
1_555 |
1 |
1 |
184 |
20.1 |
-0.2 |
0.527 |
0 |
0 |
0 |
0.005 |
64 |
67 |
|
[GAI]A:1022 |
3 |
1 |
184 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
4 |
3 |
15372 |
17.6 |
0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
65 |
68 |
|
[ZN]A:1002 |
1 |
1 |
98 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.155 |
66 |
69 |
|
[ZN]B:1002 |
1 |
1 |
98 |
f |
[MG]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.017 |
67 |
70 |
|
[FMT]A:1025 |
1 |
1 |
149 |
◊ |
[GAI]A:1019 |
x,y,z |
1_555 |
2 |
1 |
186 |
12.2 |
0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
68 |
71 |
|
[E6Z]B:1013 |
2 |
1 |
666 |
f |
[MG]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
72 |
|
[E6Z]A:1026 |
2 |
1 |
667 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
9.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
69 |
73 |
|
[GAI]A:1021 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15152 |
8.3 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
70 |
74 |
|
[EDO]A:1005 |
3 |
1 |
184 |
f |
A |
-x+2,y,-z+2 |
2_757 |
1 |
1 |
15372 |
6.5 |
0.2 |
0.914 |
0 |
0 |
0 |
0.000 |
71 |
75 |
|
[E6Z]B:1013 |
2 |
1 |
666 |
f |
[ZN]B:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
76 |
|
[E6Z]A:1026 |
1 |
1 |
667 |
f |
[ZN]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
3.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
|