| ## |
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 |
81 |
22 |
15509 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
15103 |
679.5 |
-3.3 |
0.428 |
15 |
10 |
0 |
0.000 |
| 2 |
2 |
|
B |
64 |
19 |
15509 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
74 |
20 |
15103 |
620.0 |
-2.3 |
0.480 |
7 |
4 |
0 |
0.000 |
| 3 |
3 |
|
[T3K]A:524 |
28 |
1 |
610 |
cf |
A |
x,y,z |
1_555 |
63 |
23 |
15103 |
420.6 |
-7.9 |
0.345 |
2 |
0 |
0 |
0.017 |
| 4 |
4 |
|
[T3K]B:516 |
28 |
1 |
614 |
f |
B |
x,y,z |
1_555 |
54 |
19 |
15509 |
400.5 |
-8.6 |
0.226 |
2 |
0 |
0 |
0.019 |
| 5 |
5 |
|
B |
35 |
10 |
15509 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
10 |
15103 |
318.0 |
-1.5 |
0.419 |
5 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
29 |
8 |
15509 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
13 |
15509 |
317.7 |
-2.5 |
0.330 |
2 |
2 |
0 |
0.000 |
| 7 |
7 |
|
A |
24 |
8 |
15103 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
29 |
11 |
15509 |
250.4 |
-1.8 |
0.399 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
A |
26 |
10 |
15103 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
15103 |
187.7 |
2.3 |
0.849 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
A |
23 |
7 |
15103 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
19 |
5 |
15103 |
172.8 |
0.2 |
0.616 |
3 |
1 |
0 |
0.000 |
| 10 |
10 |
|
[EDO]B:515 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
15509 |
113.0 |
3.1 |
0.434 |
3 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]A:520 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15103 |
112.5 |
3.4 |
0.443 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]A:511 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15103 |
106.6 |
2.7 |
0.312 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]A:517 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
15103 |
106.5 |
3.3 |
0.476 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]A:507 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15103 |
106.2 |
2.7 |
0.437 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]A:522 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15103 |
102.3 |
1.9 |
0.374 |
3 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[EDO]B:513 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
15509 |
99.6 |
2.5 |
0.423 |
3 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[EDO]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15509 |
96.1 |
2.2 |
0.261 |
3 |
0 |
0 |
0.000 |
| 18 |
18 |
|
A |
15 |
7 |
15103 |
◊ |
[EDO]B:512 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
185 |
94.8 |
3.0 |
0.507 |
2 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[EDO]A:518 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15103 |
94.7 |
1.7 |
0.256 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[EDO]B:509 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
15509 |
92.9 |
3.1 |
0.449 |
0 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[EDO]A:516 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
15103 |
92.6 |
3.2 |
0.535 |
1 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[EDO]A:508 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
15103 |
86.9 |
3.0 |
0.302 |
3 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[EDO]A:514 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15103 |
86.6 |
2.4 |
0.286 |
4 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[EDO]B:508 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15509 |
85.2 |
3.7 |
0.562 |
1 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[EDO]B:505 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
15509 |
82.9 |
3.0 |
0.300 |
2 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[EDO]A:523 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15103 |
82.7 |
1.6 |
0.200 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
B |
12 |
4 |
15509 |
◊ |
[EDO]A:513 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
186 |
82.3 |
1.9 |
0.209 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[EDO]B:507 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
15509 |
81.6 |
2.2 |
0.277 |
2 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[EDO]B:511 |
4 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
6 |
15103 |
81.0 |
1.6 |
0.233 |
2 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[EDO]A:519 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15103 |
78.6 |
2.2 |
0.249 |
3 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[EDO]B:514 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15509 |
76.8 |
2.3 |
0.270 |
1 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[EDO]A:515 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15103 |
75.4 |
1.7 |
0.190 |
0 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[EDO]A:510 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15103 |
73.3 |
2.8 |
0.300 |
1 |
0 |
0 |
0.000 |
| 34 |
34 |
|
[EDO]A:521 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15103 |
71.3 |
1.5 |
0.687 |
2 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[EDO]B:510 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
15509 |
66.8 |
2.0 |
0.803 |
0 |
0 |
0 |
0.000 |
| 36 |
36 |
|
[EDO]A:509 |
4 |
1 |
183 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
2 |
15103 |
64.1 |
1.9 |
0.254 |
0 |
0 |
0 |
0.000 |
| 37 |
37 |
|
[EDO]A:512 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15103 |
63.8 |
2.1 |
0.277 |
1 |
0 |
0 |
0.000 |
| 38 |
38 |
|
B |
9 |
3 |
15509 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
15103 |
61.3 |
0.6 |
0.707 |
1 |
0 |
0 |
0.000 |
| 39 |
39 |
|
[EDO]B:511 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
15509 |
60.2 |
1.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| 40 |
40 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15509 |
59.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.015 |
41 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15103 |
50.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
54.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| 41 |
42 |
|
B |
9 |
4 |
15509 |
f |
[EDO]A:512 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
184 |
57.0 |
1.5 |
0.666 |
1 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[EDO]B:512 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
15509 |
56.6 |
1.5 |
0.231 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[EDO]A:509 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15103 |
54.0 |
0.9 |
0.798 |
2 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[EDO]A:515 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
15509 |
51.1 |
0.2 |
0.110 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[EDO]A:523 |
4 |
1 |
186 |
f |
[EDO]A:521 |
x,y,z |
1_555 |
4 |
1 |
186 |
49.5 |
2.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15509 |
46.1 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.068 |
48 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15103 |
39.7 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
42.9 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.068 |
| 47 |
49 |
|
B |
6 |
2 |
15509 |
◊ |
[EDO]A:514 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
185 |
44.9 |
1.9 |
0.950 |
1 |
0 |
0 |
0.000 |
| 48 |
50 |
|
[EDO]B:505 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15103 |
43.3 |
1.5 |
0.288 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
B |
6 |
3 |
15509 |
◊ |
[EDO]A:515 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
184 |
43.3 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[MG]B:503 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
5 |
15103 |
42.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[EDO]A:508 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15509 |
40.2 |
1.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
B |
5 |
2 |
15509 |
f |
[EDO]A:516 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
182 |
39.9 |
0.9 |
0.858 |
1 |
0 |
0 |
0.000 |
| 53 |
55 |
|
[EDO]A:513 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15103 |
39.9 |
1.6 |
0.950 |
1 |
0 |
0 |
0.000 |
| 54 |
56 |
|
[EDO]B:507 |
3 |
1 |
184 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
15103 |
39.2 |
2.3 |
0.986 |
0 |
0 |
0 |
0.000 |
| 55 |
57 |
|
B |
4 |
1 |
15509 |
f |
[EDO]A:517 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
182 |
38.7 |
1.1 |
0.889 |
1 |
0 |
0 |
0.000 |
| 56 |
58 |
|
[EDO]A:521 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
15509 |
38.0 |
1.1 |
0.794 |
0 |
0 |
0 |
0.000 |
| 57 |
59 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
15509 |
37.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 58 |
60 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15103 |
37.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 59 |
61 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
15509 |
36.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 60 |
62 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15103 |
36.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 61 |
63 |
|
[MG]A:504 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
15103 |
32.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 62 |
64 |
|
[EDO]A:513 |
3 |
1 |
186 |
◊ |
[EDO]A:512 |
x,y,z |
1_555 |
3 |
1 |
184 |
31.2 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 63 |
65 |
|
[MG]A:505 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
15103 |
28.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
66 |
|
A |
1 |
1 |
15103 |
◊ |
[EDO]A:510 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
184 |
26.3 |
0.9 |
0.962 |
0 |
0 |
0 |
0.000 |
| 65 |
67 |
|
B |
2 |
1 |
15509 |
◊ |
[EDO]B:509 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
184 |
25.7 |
0.8 |
0.927 |
0 |
0 |
0 |
0.000 |
| 66 |
68 |
|
[EDO]B:507 |
3 |
1 |
184 |
◊ |
[EDO]A:516 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
182 |
24.0 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[T3K]A:524 |
2 |
1 |
610 |
f |
[EDO]A:518 |
x,y,z |
1_555 |
2 |
1 |
183 |
23.7 |
0.8 |
0.923 |
0 |
0 |
0 |
0.000 |
| 68 |
70 |
|
A |
4 |
1 |
15103 |
f |
[MG]A:506 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
98 |
21.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 69 |
71 |
|
[MG]B:504 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
15103 |
21.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 70 |
72 |
|
[EDO]A:514 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15509 |
21.1 |
1.4 |
0.991 |
0 |
0 |
0 |
0.000 |
| 71 |
73 |
|
[EDO]A:509 |
2 |
1 |
183 |
◊ |
[EDO]A:510 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
184 |
20.4 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 72 |
74 |
|
[T3K]A:524 |
5 |
1 |
610 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| 73 |
75 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15103 |
16.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 74 |
76 |
|
[MG]A:506 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15103 |
16.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 75 |
77 |
|
[MG]A:503 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
15509 |
16.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 76 |
78 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 77 |
79 |
|
[EDO]A:509 |
3 |
1 |
183 |
f |
[MG]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 78 |
80 |
|
[T3K]A:524 |
2 |
1 |
610 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 79 |
81 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.013 |
| 80 |
82 |
|
B |
4 |
1 |
15509 |
◊ |
[EDO]B:508 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
183 |
12.2 |
0.4 |
0.878 |
0 |
0 |
0 |
0.000 |
| 81 |
83 |
|
[EDO]B:509 |
2 |
1 |
184 |
f |
[EDO]B:508 |
x,y,z |
1_555 |
1 |
1 |
183 |
11.9 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 82 |
84 |
|
[T3K]A:524 |
2 |
1 |
610 |
f |
[EDO]A:511 |
x,y,z |
1_555 |
2 |
1 |
184 |
11.8 |
0.1 |
0.844 |
0 |
0 |
0 |
0.000 |
| 83 |
85 |
|
[EDO]B:511 |
3 |
1 |
185 |
f |
[MG]B:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.002 |
| 84 |
86 |
|
[EDO]B:515 |
2 |
1 |
185 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
15103 |
5.1 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
| 85 |
87 |
|
A |
2 |
1 |
15103 |
f |
[EDO]B:510 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
185 |
4.6 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
|