## |
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 |
|
D |
49 |
16 |
15596 |
◊ |
B |
x,y,z |
1_555 |
50 |
17 |
15509 |
465.7 |
-7.0 |
0.210 |
4 |
0 |
0 |
0.000 |
2 |
|
C |
49 |
14 |
15628 |
◊ |
A |
x-1,y-1,z |
1_445 |
53 |
16 |
14868 |
462.7 |
-7.3 |
0.237 |
2 |
0 |
0 |
0.000 |
Average: |
464.2 |
-7.2 |
0.224 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
C |
41 |
11 |
15628 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
15509 |
377.9 |
-0.7 |
0.761 |
9 |
5 |
0 |
0.000 |
3 |
4 |
|
C |
34 |
10 |
15628 |
◊ |
D |
x,y-1,z |
1_545 |
38 |
9 |
15596 |
337.0 |
-1.9 |
0.561 |
4 |
5 |
0 |
0.000 |
4 |
5 |
|
D |
38 |
16 |
15596 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
12 |
14868 |
328.1 |
-5.1 |
0.275 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
37 |
11 |
15628 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
34 |
9 |
14868 |
304.9 |
-3.8 |
0.429 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
29 |
8 |
15509 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
29 |
7 |
15596 |
274.9 |
-4.0 |
0.283 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[5V7]D:403 |
17 |
1 |
392 |
f |
D |
x,y,z |
1_555 |
48 |
18 |
15596 |
251.0 |
3.4 |
0.511 |
3 |
0 |
0 |
0.000 |
9 |
|
[5V7]B:403 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
49 |
19 |
15509 |
250.1 |
3.7 |
0.533 |
3 |
0 |
0 |
0.000 |
10 |
|
[5V7]A:403 |
17 |
1 |
394 |
f |
A |
x,y,z |
1_555 |
48 |
17 |
14868 |
249.0 |
3.4 |
0.531 |
3 |
0 |
0 |
0.000 |
11 |
|
[5V7]C:403 |
17 |
1 |
394 |
f |
C |
x,y,z |
1_555 |
47 |
18 |
15628 |
245.9 |
3.7 |
0.569 |
3 |
0 |
0 |
0.000 |
Average: |
249.0 |
3.5 |
0.536 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
D |
19 |
7 |
15596 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
7 |
15509 |
185.8 |
1.8 |
0.895 |
3 |
5 |
0 |
0.000 |
13 |
|
C |
18 |
7 |
15628 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
5 |
14868 |
125.4 |
0.4 |
0.701 |
0 |
0 |
0 |
0.000 |
Average: |
155.6 |
1.1 |
0.798 |
2 |
3 |
0 |
0.000 |
9 |
14 |
|
D |
23 |
7 |
15596 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
14868 |
170.9 |
-2.1 |
0.388 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
B |
18 |
7 |
15509 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
17 |
5 |
15596 |
145.8 |
-2.5 |
0.320 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
15 |
6 |
15628 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
15 |
5 |
14868 |
121.8 |
-2.5 |
0.299 |
0 |
0 |
0 |
0.000 |
Average: |
133.8 |
-2.5 |
0.309 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
14868 |
114.8 |
3.9 |
0.560 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
[DMS]A:404 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
14868 |
112.2 |
3.4 |
0.609 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[DMS]B:404 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
15509 |
111.5 |
2.7 |
0.601 |
1 |
0 |
0 |
0.000 |
20 |
|
[DMS]D:404 |
4 |
1 |
206 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
15596 |
110.1 |
2.6 |
0.593 |
1 |
0 |
0 |
0.000 |
Average: |
110.8 |
2.7 |
0.597 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
[DMS]C:404 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
15628 |
108.3 |
2.1 |
0.605 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]B:405 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
15509 |
108.2 |
3.5 |
0.529 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]D:407 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
15596 |
102.4 |
2.2 |
0.384 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
[GOL]A:406 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14868 |
94.0 |
-0.3 |
0.586 |
4 |
0 |
0 |
0.006 |
18 |
25 |
|
[GOL]B:406 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
15596 |
92.5 |
0.3 |
0.649 |
5 |
0 |
0 |
0.005 |
19 |
26 |
|
[GOL]B:406 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
15509 |
90.6 |
-0.3 |
0.553 |
3 |
0 |
0 |
0.000 |
20 |
27 |
|
C |
13 |
6 |
15628 |
◊ |
[GOL]A:406 |
x-1,y-1,z |
1_445 |
6 |
1 |
222 |
90.5 |
0.3 |
0.669 |
5 |
0 |
0 |
0.000 |
21 |
28 |
|
[DMS]C:405 |
4 |
1 |
206 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
12 |
5 |
14868 |
90.2 |
0.7 |
0.314 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
B |
14 |
6 |
15509 |
◊ |
[GOL]D:409 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
220 |
88.6 |
-0.2 |
0.603 |
2 |
0 |
0 |
0.000 |
23 |
30 |
|
C |
13 |
4 |
15628 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
2 |
15509 |
84.0 |
-2.0 |
0.271 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[GOL]D:408 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
15596 |
80.2 |
-0.2 |
0.607 |
3 |
0 |
0 |
0.004 |
25 |
32 |
|
[GOL]D:409 |
5 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
16 |
3 |
15596 |
79.3 |
-0.3 |
0.565 |
2 |
0 |
0 |
0.003 |
26 |
33 |
|
[DMS]D:405 |
4 |
1 |
207 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
15596 |
78.5 |
1.9 |
0.484 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[EDO]D:406 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
15596 |
72.7 |
1.2 |
0.703 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[DMS]C:404 |
3 |
1 |
207 |
f |
[5V7]C:403 |
x,y,z |
1_555 |
12 |
1 |
394 |
51.8 |
1.8 |
0.204 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[DMS]B:404 |
4 |
1 |
207 |
f |
[5V7]B:403 |
x,y,z |
1_555 |
10 |
1 |
395 |
46.2 |
1.1 |
0.167 |
0 |
0 |
0 |
0.000 |
37 |
|
[DMS]D:404 |
4 |
1 |
206 |
f |
[5V7]D:403 |
x,y,z |
1_555 |
10 |
1 |
392 |
45.9 |
1.2 |
0.173 |
0 |
0 |
0 |
0.000 |
Average: |
46.0 |
1.2 |
0.170 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[DMS]A:404 |
3 |
1 |
207 |
f |
[5V7]A:403 |
x,y,z |
1_555 |
10 |
1 |
394 |
43.5 |
-0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[DMS]C:405 |
4 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
15628 |
37.6 |
0.4 |
0.383 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
B |
4 |
2 |
15509 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14868 |
32.9 |
1.1 |
0.882 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[5V7]B:403 |
5 |
1 |
395 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.053 |
42 |
|
[5V7]A:403 |
6 |
1 |
394 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.053 |
43 |
|
[5V7]D:403 |
5 |
1 |
392 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.053 |
44 |
|
[5V7]C:403 |
4 |
1 |
394 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.0 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
32.3 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.053 |
34 |
45 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14868 |
32.3 |
-20.8 |
0.000 |
0 |
0 |
0 |
0.068 |
46 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
15596 |
32.2 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.068 |
47 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
15628 |
32.1 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.068 |
48 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15509 |
31.9 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
32.1 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.068 |
35 |
49 |
|
D |
5 |
2 |
15596 |
x |
D |
x-1,y,z |
1_455 |
3 |
1 |
15596 |
30.4 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[DMS]D:405 |
2 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
14868 |
12.3 |
0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
C |
1 |
1 |
15628 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
14868 |
9.5 |
-0.3 |
0.309 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[DMS]D:404 |
1 |
1 |
206 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.009 |
53 |
|
[DMS]B:404 |
1 |
1 |
207 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
8.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.009 |
39 |
54 |
|
[DMS]C:404 |
1 |
1 |
207 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.007 |
40 |
55 |
|
[DMS]A:404 |
3 |
1 |
207 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.009 |
41 |
56 |
|
B |
1 |
1 |
15509 |
◊ |
[GOL]D:408 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
219 |
0.5 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
|