## |
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 |
89 |
27 |
12624 |
◊ |
A |
x,y,z |
1_555 |
89 |
29 |
12927 |
793.7 |
-5.9 |
0.311 |
8 |
2 |
0 |
0.000 |
2 |
|
B |
84 |
29 |
12779 |
◊ |
B |
-x+1,-y,z |
2_655 |
85 |
29 |
12779 |
753.7 |
-6.6 |
0.272 |
8 |
6 |
0 |
0.000 |
Average: |
773.7 |
-6.2 |
0.292 |
8 |
4 |
0 |
0.000 |
2 |
3 |
|
B |
35 |
13 |
12779 |
x |
B |
x,y,z-1 |
1_554 |
48 |
16 |
12779 |
335.2 |
-1.9 |
0.493 |
3 |
0 |
0 |
0.000 |
4 |
|
C |
31 |
9 |
12624 |
x |
C |
x,y,z-1 |
1_554 |
40 |
14 |
12624 |
283.8 |
-1.5 |
0.473 |
0 |
0 |
0 |
0.000 |
5 |
|
A |
29 |
10 |
12927 |
x |
A |
x,y,z-1 |
1_554 |
35 |
15 |
12927 |
281.3 |
-1.5 |
0.458 |
1 |
0 |
0 |
0.000 |
Average: |
300.1 |
-1.6 |
0.475 |
1 |
0 |
0 |
0.000 |
3 |
6 |
|
C |
32 |
13 |
12624 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
29 |
8 |
12779 |
299.5 |
-3.4 |
0.216 |
1 |
3 |
0 |
0.014 |
4 |
7 |
|
B |
27 |
8 |
12779 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
12927 |
280.9 |
0.0 |
0.636 |
6 |
6 |
0 |
0.012 |
5 |
8 |
|
[CYZ]A:265 |
22 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
42 |
15 |
12927 |
280.4 |
-1.9 |
0.358 |
4 |
0 |
0 |
0.046 |
9 |
|
[CYZ]B:265 |
22 |
1 |
513 |
f |
B |
x,y,z |
1_555 |
45 |
15 |
12779 |
274.1 |
-2.4 |
0.339 |
4 |
0 |
0 |
0.046 |
10 |
|
[CYZ]C:265 |
22 |
1 |
514 |
f |
C |
x,y,z |
1_555 |
42 |
14 |
12624 |
265.7 |
-1.8 |
0.353 |
4 |
0 |
0 |
0.046 |
Average: |
273.4 |
-2.0 |
0.350 |
4 |
0 |
0 |
0.046 |
6 |
11 |
|
C |
31 |
12 |
12624 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
32 |
11 |
12927 |
269.4 |
1.7 |
0.677 |
5 |
2 |
0 |
0.003 |
7 |
12 |
|
C |
17 |
5 |
12624 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
24 |
9 |
12927 |
230.5 |
-3.9 |
0.104 |
2 |
1 |
0 |
0.000 |
8 |
13 |
|
[CYZ]B:265 |
19 |
1 |
513 |
◊ |
B |
-x+1,-y,z |
2_655 |
21 |
7 |
12779 |
158.2 |
2.7 |
0.478 |
1 |
0 |
0 |
0.000 |
14 |
|
[CYZ]A:265 |
19 |
1 |
512 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
12624 |
153.0 |
2.7 |
0.449 |
1 |
0 |
0 |
0.000 |
15 |
|
[CYZ]C:265 |
19 |
1 |
514 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
12927 |
147.4 |
2.5 |
0.456 |
1 |
0 |
0 |
0.000 |
Average: |
152.9 |
2.6 |
0.461 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
[GOL]C:270 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
12624 |
116.7 |
-0.5 |
0.502 |
4 |
0 |
0 |
0.008 |
10 |
17 |
|
[GOL]C:269 |
6 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
12624 |
114.9 |
0.9 |
0.698 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
[CAC]B:274 |
5 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
12779 |
104.8 |
3.5 |
0.419 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
B |
12 |
4 |
12779 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
11 |
3 |
12927 |
100.7 |
0.9 |
0.752 |
3 |
2 |
0 |
0.004 |
13 |
20 |
|
C |
14 |
6 |
12624 |
◊ |
[GOL]A:269 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
219 |
96.1 |
1.3 |
0.619 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
[GOL]B:272 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12779 |
89.3 |
-1.1 |
0.308 |
0 |
0 |
0 |
0.006 |
15 |
22 |
|
[GOL]B:273 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12779 |
84.4 |
0.2 |
0.640 |
2 |
0 |
0 |
0.004 |
16 |
23 |
|
[DMS]A:272 |
4 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12927 |
78.7 |
1.5 |
0.425 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[GOL]A:270 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12927 |
78.3 |
-1.1 |
0.399 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
[CAC]B:274 |
5 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
12927 |
77.6 |
0.3 |
0.110 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
C |
7 |
2 |
12624 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12779 |
75.4 |
-0.8 |
0.349 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[GOL]B:271 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
12779 |
75.3 |
-1.3 |
0.326 |
0 |
0 |
0 |
0.008 |
21 |
28 |
|
[GOL]C:269 |
4 |
1 |
217 |
f |
C |
x,y,z-1 |
1_554 |
12 |
5 |
12624 |
74.1 |
-0.2 |
0.538 |
2 |
0 |
0 |
0.004 |
22 |
29 |
|
[GOL]C:268 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
12624 |
74.0 |
-0.9 |
0.449 |
0 |
0 |
0 |
0.003 |
23 |
30 |
|
[ACT]A:271 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12927 |
71.9 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.001 |
24 |
31 |
|
[GOL]C:271 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
12624 |
71.0 |
0.0 |
0.574 |
2 |
0 |
0 |
0.003 |
25 |
32 |
|
[GOL]A:270 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
12624 |
69.1 |
0.3 |
0.646 |
2 |
0 |
0 |
0.002 |
26 |
33 |
|
C |
7 |
3 |
12624 |
◊ |
[ACT]A:271 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
183 |
61.0 |
-0.2 |
0.608 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[ACT]C:272 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12624 |
60.6 |
0.6 |
0.779 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[GOL]A:269 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12927 |
59.4 |
0.1 |
0.615 |
1 |
0 |
0 |
0.002 |
29 |
36 |
|
[GOL]C:271 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12927 |
52.5 |
-0.6 |
0.453 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[GOL]B:271 |
4 |
1 |
218 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
3 |
12779 |
52.1 |
-0.4 |
0.544 |
1 |
0 |
0 |
0.000 |
31 |
38 |
|
[ZN]C:267 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12624 |
49.0 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.150 |
39 |
|
[ZN]B:268 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
12779 |
45.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
47.2 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.150 |
32 |
40 |
|
[ZN]C:266 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12624 |
48.9 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.252 |
41 |
|
[ZN]B:266 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12779 |
42.3 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.252 |
42 |
|
[ZN]A:266 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12927 |
32.2 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.252 |
Average: |
41.2 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.252 |
33 |
43 |
|
[GOL]A:270 |
5 |
1 |
221 |
f |
[CYZ]C:265 |
x,y,z |
1_555 |
5 |
1 |
514 |
48.1 |
-2.2 |
0.335 |
1 |
0 |
0 |
0.009 |
34 |
44 |
|
C |
6 |
2 |
12624 |
◊ |
[GOL]C:270 |
x,y,z-1 |
1_554 |
5 |
1 |
219 |
44.5 |
-0.6 |
0.348 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[ZN]B:269 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12779 |
41.5 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.226 |
46 |
|
[ZN]A:268 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12927 |
40.3 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
40.9 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.226 |
36 |
47 |
|
[ZN]B:267 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12779 |
39.0 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.122 |
37 |
48 |
|
C |
8 |
3 |
12624 |
◊ |
[ZN]B:267 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
98 |
36.9 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.103 |
49 |
|
[ZN]A:267 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12927 |
30.6 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
33.7 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.103 |
38 |
50 |
|
[GOL]C:268 |
3 |
1 |
215 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
2 |
12624 |
35.7 |
0.9 |
0.795 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[ZN]B:270 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
12779 |
34.8 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.096 |
40 |
52 |
|
C |
6 |
3 |
12624 |
f |
[ZN]A:267 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
98 |
32.4 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.049 |
41 |
53 |
|
[ZN]A:266 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12779 |
29.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.042 |
42 |
54 |
|
[ZN]B:266 |
1 |
1 |
98 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
3 |
1 |
12927 |
29.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.071 |
43 |
55 |
|
[ACT]A:271 |
3 |
1 |
183 |
◊ |
[ZN]A:267 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.035 |
44 |
56 |
|
[CAC]B:274 |
4 |
1 |
237 |
f |
[ZN]A:266 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.5 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.056 |
45 |
57 |
|
[GOL]C:268 |
2 |
1 |
215 |
◊ |
[GOL]C:270 |
x,y,z-1 |
1_554 |
2 |
1 |
219 |
17.4 |
0.4 |
0.750 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[GOL]C:271 |
2 |
1 |
220 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
12624 |
15.6 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
47 |
59 |
|
[GOL]B:273 |
1 |
1 |
220 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
12779 |
3.2 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
C |
2 |
2 |
12624 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
2 |
2 |
12624 |
0.7 |
0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
|