| ## |
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 |
79 |
22 |
12613 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
79 |
22 |
12613 |
723.6 |
-1.5 |
0.601 |
10 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
36 |
10 |
12749 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
36 |
10 |
12749 |
343.8 |
-1.0 |
0.532 |
8 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
36 |
14 |
12749 |
◊ |
A |
x,-y+3,-z |
4_585 |
36 |
14 |
12749 |
337.6 |
-2.4 |
0.378 |
2 |
6 |
0 |
0.025 |
| 4 |
4 |
|
[8VE]A:302 |
15 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
44 |
17 |
12749 |
243.6 |
5.4 |
0.485 |
10 |
0 |
0 |
0.000 |
5 |
|
[8VE]B:305 |
15 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
41 |
15 |
12613 |
229.5 |
5.2 |
0.510 |
9 |
0 |
0 |
0.000 |
| Average: |
236.5 |
5.3 |
0.498 |
10 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
20 |
7 |
12613 |
◊ |
A |
x,-y+3,-z |
4_585 |
24 |
9 |
12749 |
241.0 |
-2.4 |
0.295 |
2 |
3 |
0 |
0.017 |
| 6 |
7 |
|
B |
26 |
7 |
12613 |
◊ |
B |
x,-y+3,-z |
4_585 |
26 |
7 |
12613 |
234.0 |
1.1 |
0.743 |
8 |
4 |
0 |
0.013 |
| 7 |
8 |
|
B |
31 |
11 |
12613 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
12749 |
222.9 |
-1.2 |
0.493 |
2 |
2 |
0 |
0.012 |
| 8 |
9 |
|
B |
21 |
8 |
12613 |
◊ |
B |
x,-y+2,-z+1 |
4_576 |
21 |
8 |
12613 |
166.7 |
-3.5 |
0.169 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[GOL]B:301 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
12613 |
141.5 |
-1.0 |
0.467 |
4 |
0 |
0 |
0.023 |
| 10 |
11 |
|
[GOL]A:301 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
12749 |
139.3 |
-1.0 |
0.443 |
3 |
0 |
0 |
0.028 |
| 11 |
12 |
|
[GOL]B:303 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
12613 |
130.4 |
-0.9 |
0.511 |
3 |
0 |
0 |
0.019 |
| 12 |
13 |
|
B |
18 |
7 |
12613 |
◊ |
B |
x,-y+3,-z+1 |
4_586 |
18 |
7 |
12613 |
130.4 |
-0.9 |
0.500 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[GOL]B:304 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
12613 |
129.3 |
-0.2 |
0.580 |
4 |
0 |
0 |
0.016 |
| 14 |
15 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
12613 |
87.3 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.097 |
| 15 |
16 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
12749 |
85.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.143 |
| 16 |
17 |
|
B |
8 |
3 |
12613 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
3 |
12749 |
83.3 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[GOL]B:302 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
12613 |
65.3 |
-0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12613 |
64.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.104 |
20 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12749 |
63.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
64.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.104 |
| 19 |
21 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12613 |
55.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.047 |
| 20 |
22 |
|
B |
9 |
3 |
12613 |
f |
[ACT]A:308 |
x,y-1,z |
1_545 |
4 |
1 |
183 |
54.2 |
-0.2 |
0.687 |
0 |
0 |
0 |
0.002 |
| 21 |
23 |
|
B |
10 |
3 |
12613 |
◊ |
A |
x,-y+3,-z+1 |
4_586 |
4 |
1 |
12749 |
46.9 |
-0.6 |
0.420 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[ZN]B:308 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
12613 |
45.8 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.206 |
| 23 |
25 |
|
[ACT]A:308 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12749 |
43.2 |
0.3 |
0.773 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[GOL]B:302 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12749 |
40.1 |
-0.3 |
0.521 |
0 |
0 |
0 |
0.003 |
| 25 |
27 |
|
[ZN]B:307 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
4 |
1 |
12613 |
37.0 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.213 |
28 |
|
[ZN]A:305 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
5 |
3 |
12749 |
33.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.213 |
29 |
|
[ZN]A:304 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
12749 |
33.1 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
34.5 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.213 |
| 26 |
30 |
|
B |
4 |
1 |
12613 |
◊ |
B |
x,-y+2,-z |
4_575 |
4 |
1 |
12613 |
36.6 |
1.2 |
0.877 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[ZN]A:303 |
1 |
1 |
98 |
c |
A |
x,y,z |
1_555 |
5 |
2 |
12749 |
36.4 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.234 |
| 28 |
32 |
|
[ZN]A:303 |
1 |
1 |
98 |
cf |
A |
x,-y+3,-z |
4_585 |
5 |
2 |
12749 |
36.2 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.235 |
| 29 |
33 |
|
[ZN]B:306 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
12749 |
35.2 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.230 |
| 30 |
34 |
|
[ZN]B:306 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12613 |
35.0 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.103 |
| 31 |
35 |
|
B |
6 |
2 |
12613 |
f |
[ZN]A:304 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
32.2 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.202 |
36 |
|
B |
4 |
2 |
12613 |
f |
[ZN]A:305 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
28.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.202 |
| Average: |
30.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.202 |
| 32 |
37 |
|
[ZN]B:308 |
1 |
1 |
98 |
◊ |
B |
x,-y+3,-z |
4_585 |
6 |
2 |
12613 |
31.6 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.116 |
| 33 |
38 |
|
[GOL]B:304 |
4 |
1 |
218 |
f |
[GOL]B:303 |
x,y,z |
1_555 |
4 |
1 |
215 |
30.1 |
-0.3 |
0.556 |
0 |
0 |
0 |
0.003 |
| 34 |
39 |
|
[ACT]A:308 |
3 |
1 |
183 |
f |
[ZN]A:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.070 |
| 35 |
40 |
|
[8VE]B:305 |
7 |
1 |
356 |
f |
[GOL]B:301 |
x,y,z |
1_555 |
2 |
1 |
222 |
22.6 |
0.4 |
0.146 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[ZN]A:305 |
1 |
1 |
98 |
f |
[ZN]A:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.106 |
| 37 |
42 |
|
[GOL]B:304 |
2 |
1 |
218 |
f |
[GOL]B:301 |
x,y,z |
1_555 |
3 |
1 |
222 |
16.0 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.001 |
| 38 |
43 |
|
[8VE]B:305 |
4 |
1 |
356 |
f |
[GOL]B:304 |
x,y,z |
1_555 |
3 |
1 |
218 |
9.8 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
[8VE]A:302 |
x,y,z |
1_555 |
2 |
1 |
357 |
8.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 40 |
45 |
|
[ACT]A:308 |
1 |
1 |
183 |
f |
[ZN]A:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| 41 |
46 |
|
[8VE]B:305 |
1 |
1 |
356 |
f |
[GOL]B:303 |
x,y,z |
1_555 |
1 |
1 |
215 |
7.9 |
0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[8VE]A:302 |
1 |
1 |
357 |
f |
[GOL]A:301 |
x,y,z |
1_555 |
1 |
1 |
220 |
7.5 |
0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
[8VE]B:305 |
x,y,z |
1_555 |
1 |
1 |
356 |
3.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 44 |
49 |
|
[GOL]B:303 |
1 |
1 |
215 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
12613 |
2.8 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
|