## |
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 |
|
C |
130 |
40 |
6392 |
◊ |
A |
x,y,z |
1_555 |
128 |
39 |
6117 |
1180.8 |
-18.3 |
0.336 |
20 |
4 |
0 |
0.165 |
2 |
|
D |
123 |
38 |
5877 |
◊ |
B |
x,y,z |
1_555 |
129 |
39 |
6368 |
1157.1 |
-17.4 |
0.308 |
20 |
6 |
0 |
0.165 |
Average: |
1168.9 |
-17.9 |
0.322 |
20 |
5 |
0 |
0.165 |
2 |
3 |
|
C |
97 |
20 |
6392 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
98 |
20 |
5877 |
887.9 |
-21.1 |
0.114 |
6 |
0 |
0 |
0.247 |
4 |
|
A |
96 |
20 |
6117 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
99 |
20 |
6368 |
887.3 |
-20.5 |
0.105 |
5 |
0 |
0 |
0.247 |
Average: |
887.6 |
-20.8 |
0.110 |
6 |
0 |
0 |
0.247 |
3 |
5 |
|
C |
86 |
23 |
6392 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
85 |
23 |
6368 |
727.3 |
-7.8 |
0.693 |
10 |
0 |
0 |
0.146 |
4 |
6 |
|
A |
29 |
10 |
6117 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
29 |
10 |
5877 |
263.6 |
-6.3 |
0.145 |
4 |
0 |
0 |
0.083 |
7 |
|
C |
28 |
11 |
6392 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
27 |
10 |
6368 |
258.8 |
-6.0 |
0.147 |
4 |
0 |
0 |
0.083 |
Average: |
261.2 |
-6.1 |
0.146 |
4 |
0 |
0 |
0.083 |
5 |
8 |
|
D |
24 |
7 |
5877 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
6117 |
230.1 |
-1.3 |
0.685 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
12 |
4 |
6117 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
12 |
4 |
6368 |
105.8 |
-1.1 |
0.575 |
1 |
0 |
0 |
0.004 |
7 |
10 |
|
C |
14 |
6 |
6392 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
10 |
3 |
6117 |
100.0 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
A |
11 |
6 |
6117 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
5 |
6392 |
95.4 |
-2.6 |
0.288 |
0 |
0 |
0 |
0.023 |
12 |
|
D |
11 |
7 |
5877 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
8 |
4 |
6368 |
90.4 |
-2.1 |
0.314 |
0 |
0 |
0 |
0.023 |
Average: |
92.9 |
-2.4 |
0.301 |
0 |
0 |
0 |
0.023 |
9 |
13 |
|
[EDO]A:1006 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
6117 |
89.1 |
1.4 |
0.275 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]D:1003 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
5877 |
88.6 |
1.9 |
0.270 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
10 |
2 |
6392 |
x |
C |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
2 |
6392 |
87.0 |
-1.0 |
0.404 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
8 |
2 |
6368 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6117 |
82.2 |
0.2 |
0.728 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]A:1007 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
6117 |
82.0 |
2.1 |
0.488 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]B:1007 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
6368 |
81.6 |
3.2 |
0.575 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]B:1006 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
6368 |
80.5 |
1.8 |
0.303 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]C:1003 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
6392 |
80.2 |
2.0 |
0.311 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]A:1009 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6117 |
68.3 |
1.9 |
0.301 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]D:1004 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
5877 |
66.3 |
1.4 |
0.886 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]C:1003 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
6117 |
65.9 |
2.0 |
0.288 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]B:1006 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
5877 |
63.4 |
1.3 |
0.225 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]A:1009 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
5877 |
61.1 |
1.0 |
0.813 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]A:1008 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
6392 |
60.5 |
1.6 |
0.828 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]A:1008 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6117 |
55.4 |
1.5 |
0.851 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]B:1007 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
5877 |
45.8 |
0.4 |
0.647 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]A:1007 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
5877 |
45.4 |
1.2 |
0.774 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]D:1004 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
6117 |
40.4 |
1.6 |
0.865 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[ZN]A:1001 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6392 |
33.8 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.179 |
32 |
|
[ZN]A:1001 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6117 |
32.2 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.179 |
33 |
|
[ZN]B:1001 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
5877 |
31.7 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.179 |
34 |
|
[ZN]B:1001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6368 |
31.6 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.179 |
Average: |
32.3 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.179 |
28 |
35 |
|
[ZN]A:1005 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6117 |
32.8 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.458 |
36 |
|
[ZN]B:1004 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
5877 |
32.7 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.458 |
37 |
|
[ZN]A:1003 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
6392 |
32.3 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.458 |
38 |
|
[ZN]B:1005 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
6368 |
32.3 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.458 |
Average: |
32.5 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.458 |
29 |
39 |
|
[EDO]A:1007 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
6368 |
32.4 |
0.8 |
0.921 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[ZN]B:1003 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
5877 |
29.9 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.166 |
41 |
|
[ZN]C:1001 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
6117 |
29.2 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.166 |
42 |
|
[ZN]A:1002 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
5 |
6392 |
29.1 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.166 |
43 |
|
[ZN]D:1001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
6368 |
29.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.166 |
Average: |
29.3 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.166 |
31 |
44 |
|
[ZN]B:1004 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6368 |
28.4 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.198 |
45 |
|
[ZN]A:1005 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6392 |
28.4 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.198 |
46 |
|
[ZN]B:1005 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
5877 |
28.2 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.198 |
47 |
|
[ZN]A:1003 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6117 |
28.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.198 |
Average: |
28.2 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.198 |
32 |
48 |
|
[ZN]D:1001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
5877 |
27.0 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.358 |
49 |
|
[ZN]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6392 |
26.4 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.358 |
50 |
|
[ZN]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6117 |
26.2 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.358 |
51 |
|
[ZN]B:1003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6368 |
26.1 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.358 |
Average: |
26.4 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.358 |
33 |
52 |
|
A |
3 |
1 |
6117 |
f |
[EDO]B:1007 |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
184 |
25.4 |
0.3 |
0.795 |
0 |
0 |
0 |
0.000 |
34 |
53 |
|
A |
5 |
2 |
6117 |
◊ |
[ZN]D:1001 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
98 |
21.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.213 |
54 |
|
[ZN]A:1002 |
1 |
1 |
98 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
5 |
2 |
5877 |
21.7 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.213 |
55 |
|
[ZN]C:1001 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
5 |
2 |
6368 |
20.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.213 |
56 |
|
C |
5 |
2 |
6392 |
◊ |
[ZN]B:1003 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
98 |
20.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.213 |
Average: |
21.0 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.213 |
35 |
57 |
|
C |
2 |
1 |
6392 |
◊ |
[EDO]B:1007 |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
1 |
184 |
18.5 |
0.4 |
0.912 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
[EDO]A:1006 |
2 |
1 |
183 |
f |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
6368 |
18.2 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[EDO]A:1008 |
3 |
1 |
183 |
f |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
3 |
2 |
5877 |
16.9 |
0.2 |
0.659 |
0 |
0 |
0 |
0.000 |
38 |
60 |
|
D |
4 |
1 |
5877 |
x |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
4 |
2 |
5877 |
15.6 |
-0.2 |
0.594 |
0 |
0 |
0 |
0.000 |
39 |
61 |
|
[EDO]B:1006 |
2 |
1 |
182 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.100 |
40 |
62 |
|
C |
1 |
1 |
6392 |
f |
[EDO]D:1003 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
183 |
12.3 |
-0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
41 |
63 |
|
[EDO]C:1003 |
1 |
1 |
184 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.100 |
42 |
64 |
|
[ZN]C:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
6117 |
6.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.045 |
65 |
|
[ZN]A:1004 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
6392 |
5.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
66 |
|
[ZN]B:1002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
5877 |
4.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.045 |
67 |
|
[ZN]D:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
6368 |
3.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
4.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
43 |
68 |
|
[ZN]A:1003 |
1 |
1 |
98 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
5877 |
6.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.053 |
69 |
|
A |
2 |
1 |
6117 |
◊ |
[ZN]B:1005 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
98 |
6.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.053 |
70 |
|
[ZN]A:1005 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
6368 |
5.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.053 |
71 |
|
C |
2 |
1 |
6392 |
◊ |
[ZN]B:1004 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
98 |
5.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
5.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.053 |
44 |
72 |
|
[ZN]B:1004 |
1 |
1 |
98 |
◊ |
[ZN]B:1003 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.028 |
45 |
73 |
|
[ZN]D:1001 |
1 |
1 |
98 |
◊ |
[ZN]B:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.028 |
46 |
74 |
|
[ZN]C:1001 |
1 |
1 |
98 |
◊ |
[ZN]A:1005 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.026 |
47 |
75 |
|
[ZN]A:1003 |
1 |
1 |
98 |
◊ |
[ZN]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.026 |
48 |
76 |
|
D |
1 |
1 |
5877 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
6392 |
2.3 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
|