## |
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 |
165 |
46 |
14883 |
◊ |
B |
x,y,z |
1_555 |
167 |
47 |
15043 |
1536.9 |
-19.6 |
0.098 |
14 |
7 |
0 |
0.262 |
2 |
|
D |
160 |
45 |
14902 |
◊ |
A |
x,y,z |
1_555 |
174 |
46 |
14611 |
1518.9 |
-22.0 |
0.049 |
15 |
5 |
0 |
0.262 |
Average: |
1527.9 |
-20.8 |
0.073 |
15 |
6 |
0 |
0.262 |
2 |
3 |
|
[NAI]A:601 |
42 |
1 |
868 |
f |
A |
x,y,z |
1_555 |
79 |
37 |
14611 |
598.6 |
-9.4 |
0.282 |
16 |
0 |
0 |
0.147 |
3 |
4 |
|
B |
58 |
16 |
15043 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
14611 |
529.3 |
-5.3 |
0.316 |
3 |
5 |
0 |
0.061 |
5 |
|
D |
57 |
16 |
14902 |
◊ |
C |
x,y,z |
1_555 |
64 |
18 |
14883 |
513.7 |
-6.9 |
0.257 |
1 |
2 |
0 |
0.061 |
Average: |
521.5 |
-6.1 |
0.286 |
2 |
4 |
0 |
0.061 |
4 |
6 |
|
A |
48 |
13 |
14611 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
47 |
13 |
15043 |
456.7 |
-2.5 |
0.456 |
5 |
1 |
0 |
0.000 |
5 |
7 |
|
C |
42 |
14 |
14883 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
41 |
10 |
15043 |
401.2 |
0.3 |
0.762 |
3 |
1 |
0 |
0.000 |
8 |
|
A |
42 |
10 |
14611 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
38 |
12 |
14902 |
388.0 |
-1.8 |
0.486 |
3 |
1 |
0 |
0.000 |
Average: |
394.6 |
-0.8 |
0.624 |
3 |
1 |
0 |
0.000 |
6 |
9 |
|
D |
42 |
15 |
14902 |
◊ |
B |
x,y,z |
1_555 |
38 |
14 |
15043 |
389.1 |
-2.1 |
0.533 |
0 |
2 |
0 |
0.020 |
10 |
|
C |
44 |
15 |
14883 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
14611 |
375.2 |
-1.8 |
0.552 |
1 |
2 |
0 |
0.020 |
Average: |
382.2 |
-2.0 |
0.542 |
1 |
2 |
0 |
0.020 |
7 |
11 |
|
C |
14 |
3 |
14883 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
23 |
9 |
14902 |
159.4 |
-0.2 |
0.626 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
A |
17 |
4 |
14611 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
17 |
4 |
15043 |
134.9 |
-0.6 |
0.583 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
10 |
4 |
14883 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
5 |
14611 |
132.0 |
0.4 |
0.493 |
1 |
1 |
0 |
0.000 |
14 |
|
B |
10 |
6 |
15043 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
14902 |
122.2 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
Average: |
127.1 |
0.3 |
0.477 |
1 |
1 |
0 |
0.000 |
10 |
15 |
|
A |
15 |
6 |
14611 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
14902 |
128.4 |
1.3 |
0.818 |
3 |
1 |
0 |
0.000 |
11 |
16 |
|
[EDO]D:345 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
14902 |
121.5 |
3.5 |
0.645 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]B:345 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
15043 |
119.0 |
3.7 |
0.646 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]B:347 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15043 |
115.0 |
3.7 |
0.474 |
3 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]D:346 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
14902 |
113.7 |
3.8 |
0.490 |
4 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]B:348 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
15043 |
104.1 |
3.1 |
0.478 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]D:347 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
14902 |
103.2 |
2.1 |
0.423 |
2 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]C:402 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
14883 |
102.8 |
2.4 |
0.425 |
3 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]B:346 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15043 |
102.7 |
2.2 |
0.429 |
3 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15043 |
102.0 |
2.4 |
0.409 |
3 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]D:402 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
14902 |
99.8 |
2.4 |
0.439 |
3 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]C:346 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
14883 |
92.3 |
3.1 |
0.441 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]B:350 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
14902 |
92.2 |
3.0 |
0.439 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]A:345 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
14611 |
91.7 |
3.3 |
0.508 |
3 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]B:349 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
15043 |
90.7 |
2.7 |
0.292 |
5 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]A:347 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
14611 |
89.4 |
2.0 |
0.216 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]A:402 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
14611 |
83.3 |
1.4 |
0.276 |
4 |
0 |
0 |
0.003 |
27 |
32 |
|
[EDO]B:351 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
15043 |
82.1 |
3.1 |
0.551 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[NA]C:347 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
14883 |
70.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.097 |
29 |
34 |
|
A |
11 |
5 |
14611 |
f |
[EDO]B:351 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
185 |
67.3 |
2.1 |
0.888 |
2 |
0 |
0 |
0.000 |
30 |
35 |
|
[CL]C:345 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
14883 |
56.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.065 |
31 |
36 |
|
[EDO]A:345 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
14883 |
55.4 |
1.3 |
0.832 |
4 |
0 |
0 |
0.004 |
32 |
37 |
|
[EDO]D:347 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14611 |
53.1 |
1.4 |
0.278 |
1 |
0 |
0 |
0.000 |
33 |
38 |
|
[EDO]A:347 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
14902 |
52.2 |
0.6 |
0.552 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]C:346 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14611 |
51.5 |
0.9 |
0.761 |
1 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]B:350 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
15043 |
51.4 |
0.9 |
0.793 |
3 |
0 |
0 |
0.004 |
36 |
41 |
|
[EDO]B:346 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
14883 |
51.4 |
1.4 |
0.282 |
1 |
0 |
0 |
0.000 |
37 |
42 |
|
A |
8 |
3 |
14611 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
14902 |
48.8 |
0.7 |
0.713 |
1 |
2 |
0 |
0.000 |
38 |
43 |
|
[NAI]A:601 |
8 |
1 |
868 |
f |
[EDO]A:402 |
x,y,z |
1_555 |
4 |
1 |
184 |
43.1 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[CL]A:346 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
14883 |
42.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.040 |
45 |
|
[CL]A:346 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14611 |
40.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
41.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.040 |
40 |
46 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
15043 |
38.5 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.501 |
47 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
14883 |
38.5 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.501 |
48 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
14902 |
38.2 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.501 |
49 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
14611 |
30.2 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.501 |
Average: |
36.3 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.501 |
41 |
50 |
|
A |
2 |
2 |
14611 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
14883 |
36.7 |
-0.5 |
0.227 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[EDO]B:348 |
2 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
14902 |
28.7 |
0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[EDO]C:402 |
2 |
1 |
182 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.092 |
44 |
53 |
|
[EDO]D:402 |
2 |
1 |
183 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.170 |
54 |
|
[EDO]B:402 |
2 |
1 |
184 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.170 |
55 |
|
[EDO]A:402 |
2 |
1 |
184 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.170 |
Average: |
24.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.170 |
45 |
56 |
|
[NAI]A:601 |
2 |
1 |
868 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14902 |
24.9 |
-0.0 |
0.227 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
B |
3 |
2 |
15043 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
3 |
14883 |
23.0 |
-0.7 |
0.311 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
[NAI]A:601 |
3 |
1 |
868 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.068 |
48 |
59 |
|
C |
1 |
1 |
14883 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
14902 |
12.2 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
[EDO]A:402 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14902 |
7.1 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
50 |
61 |
|
[NAI]A:601 |
1 |
1 |
868 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
15043 |
4.1 |
-0.3 |
0.351 |
0 |
0 |
0 |
0.000 |
|