| ## |
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 |
97 |
24 |
11014 |
◊ |
A |
x,y,z |
1_555 |
89 |
24 |
11583 |
849.1 |
-2.9 |
0.478 |
12 |
4 |
0 |
0.000 |
| 2 |
2 |
|
A |
74 |
19 |
11583 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
63 |
19 |
11583 |
601.8 |
-1.6 |
0.529 |
11 |
2 |
0 |
0.000 |
| 3 |
3 |
|
B |
43 |
9 |
11014 |
◊ |
A |
x-1,y,z |
1_455 |
41 |
9 |
11583 |
329.9 |
-1.9 |
0.462 |
8 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
36 |
12 |
11583 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
38 |
13 |
11014 |
313.5 |
-1.9 |
0.357 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
36 |
14 |
11583 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
6 |
11014 |
235.6 |
-0.0 |
0.610 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
15 |
6 |
11014 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
19 |
6 |
11014 |
172.3 |
-3.3 |
0.146 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
16 |
6 |
11014 |
x |
B |
x,y-1,z |
1_545 |
11 |
2 |
11014 |
119.6 |
-1.5 |
0.315 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]B:307 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
11014 |
118.8 |
3.2 |
0.563 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[CIT]A:300 |
12 |
1 |
317 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
11583 |
114.1 |
-1.8 |
0.082 |
4 |
0 |
0 |
0.006 |
| 10 |
10 |
|
[EDO]A:304 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
11583 |
113.9 |
3.5 |
0.457 |
2 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
11583 |
108.4 |
3.5 |
0.473 |
3 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
11014 |
104.9 |
3.2 |
0.495 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]A:307 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
11583 |
103.7 |
3.1 |
0.443 |
4 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
11014 |
100.9 |
2.6 |
0.417 |
3 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]A:301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
11583 |
99.2 |
2.2 |
0.257 |
3 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[EDO]B:306 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
11014 |
92.7 |
2.3 |
0.357 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[EDO]A:310 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11583 |
92.2 |
3.1 |
0.322 |
2 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11583 |
90.8 |
2.6 |
0.419 |
3 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[EDO]B:305 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11014 |
88.1 |
2.6 |
0.289 |
3 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[EDO]A:312 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
11583 |
86.7 |
2.6 |
0.473 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[EDO]A:309 |
4 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
13 |
4 |
11583 |
86.2 |
3.1 |
0.488 |
1 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[CIT]A:300 |
9 |
1 |
317 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
4 |
11014 |
85.5 |
0.5 |
0.421 |
3 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[EDO]A:313 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11583 |
85.1 |
1.6 |
0.244 |
3 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[EDO]A:308 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
11583 |
83.6 |
1.7 |
0.329 |
2 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[PO4]A:319 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11583 |
82.9 |
-5.6 |
0.576 |
0 |
0 |
0 |
0.009 |
| 26 |
26 |
|
[EDO]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
11583 |
80.1 |
2.0 |
0.257 |
3 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11014 |
79.2 |
2.0 |
0.253 |
5 |
0 |
0 |
0.005 |
| 28 |
28 |
|
[EDO]B:300 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11014 |
74.7 |
2.1 |
0.485 |
2 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[PO4]A:318 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11583 |
73.1 |
-3.4 |
0.874 |
3 |
0 |
0 |
0.008 |
| 30 |
30 |
|
[CL]A:316 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11583 |
69.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 31 |
31 |
|
[CL]A:317 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11583 |
65.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.020 |
| 32 |
32 |
|
[CL]A:315 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11583 |
64.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 33 |
33 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11014 |
63.0 |
0.3 |
0.485 |
3 |
0 |
0 |
0.020 |
| 34 |
34 |
|
[EDO]A:313 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11014 |
62.7 |
1.3 |
0.209 |
0 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[EDO]A:309 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11583 |
58.7 |
1.3 |
0.803 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[EDO]B:300 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11583 |
55.7 |
0.9 |
0.188 |
0 |
0 |
0 |
0.000 |
| 37 |
37 |
|
[MG]A:320 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11583 |
55.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 38 |
38 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
2 |
11014 |
53.2 |
0.8 |
0.675 |
1 |
0 |
0 |
0.000 |
| 39 |
39 |
|
[PO4]A:319 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11014 |
52.5 |
-2.9 |
0.760 |
0 |
0 |
0 |
0.000 |
| 40 |
40 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11583 |
51.1 |
1.4 |
0.257 |
0 |
0 |
0 |
0.000 |
| 41 |
41 |
|
[NA]A:321 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11583 |
49.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 42 |
42 |
|
[EDO]A:302 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
11014 |
49.0 |
1.1 |
0.221 |
1 |
0 |
0 |
0.000 |
| 43 |
43 |
|
[NI]B:308 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11014 |
48.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.136 |
44 |
|
[NI]A:314 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11583 |
32.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
40.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.136 |
| 44 |
45 |
|
[EDO]A:312 |
4 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
11583 |
48.1 |
1.6 |
0.850 |
2 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[EDO]B:306 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11583 |
48.1 |
1.3 |
0.755 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[EDO]A:311 |
4 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
11014 |
42.9 |
2.4 |
0.954 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[EDO]A:301 |
3 |
1 |
183 |
f |
[CIT]A:300 |
x,y,z |
1_555 |
6 |
1 |
317 |
40.5 |
2.4 |
0.235 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[EDO]B:301 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11583 |
37.6 |
0.8 |
0.597 |
0 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[NI]B:308 |
1 |
1 |
115 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
4 |
1 |
184 |
37.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.067 |
| 50 |
51 |
|
[CL]A:315 |
1 |
1 |
125 |
f |
[EDO]A:310 |
x,y,z |
1_555 |
4 |
1 |
186 |
35.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 51 |
52 |
|
[NI]A:314 |
1 |
1 |
115 |
f |
[CIT]A:300 |
x,y,z |
1_555 |
5 |
1 |
317 |
32.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 52 |
53 |
|
[NA]A:321 |
1 |
1 |
125 |
f |
[PO4]A:319 |
x,y,z |
1_555 |
4 |
1 |
188 |
32.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 53 |
54 |
|
[EDO]A:308 |
4 |
1 |
183 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
1 |
11014 |
30.3 |
1.0 |
0.851 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[EDO]B:305 |
2 |
1 |
185 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.5 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[EDO]A:311 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
11583 |
28.0 |
0.8 |
0.854 |
1 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[EDO]A:308 |
4 |
1 |
183 |
◊ |
[EDO]A:306 |
x,y,z |
1_555 |
3 |
1 |
185 |
27.2 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 57 |
58 |
|
[EDO]A:306 |
2 |
1 |
185 |
f |
[CIT]A:300 |
x,y,z |
1_555 |
3 |
1 |
317 |
26.3 |
0.6 |
0.544 |
1 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[NA]A:321 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11014 |
25.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
60 |
|
[EDO]A:306 |
2 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
11583 |
25.2 |
0.6 |
0.860 |
1 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[EDO]B:305 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11583 |
24.3 |
0.5 |
0.835 |
0 |
0 |
0 |
0.000 |
| 61 |
62 |
|
A |
2 |
1 |
11583 |
◊ |
[EDO]A:307 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
186 |
23.8 |
1.5 |
0.982 |
1 |
0 |
0 |
0.000 |
| 62 |
63 |
|
[EDO]B:301 |
1 |
1 |
184 |
◊ |
[EDO]B:300 |
x,y,z |
1_555 |
2 |
1 |
185 |
21.7 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[EDO]A:312 |
3 |
1 |
185 |
f |
[EDO]A:307 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
186 |
19.2 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 64 |
65 |
|
[EDO]B:301 |
2 |
1 |
184 |
◊ |
[EDO]A:313 |
x,y,z |
1_555 |
2 |
1 |
184 |
18.5 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
A |
2 |
1 |
11583 |
f |
[EDO]B:300 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
185 |
17.2 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
| 66 |
67 |
|
[NI]A:314 |
1 |
1 |
115 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
11014 |
16.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 67 |
68 |
|
[EDO]A:311 |
1 |
1 |
186 |
◊ |
[EDO]B:305 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
185 |
14.5 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 68 |
69 |
|
[EDO]A:308 |
2 |
1 |
183 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11583 |
9.3 |
0.3 |
0.914 |
0 |
0 |
0 |
0.000 |
| 69 |
70 |
|
[NI]A:314 |
1 |
1 |
115 |
f |
[EDO]A:301 |
x,y,z |
1_555 |
1 |
1 |
183 |
7.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 70 |
71 |
|
A |
2 |
1 |
11583 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11014 |
4.4 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
| 71 |
72 |
|
[NI]A:314 |
1 |
1 |
115 |
f |
[EDO]A:306 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 72 |
73 |
|
A |
1 |
1 |
11583 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
11014 |
3.4 |
0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
|