## |
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 |
100 |
31 |
12742 |
◊ |
B |
x,y,z |
1_555 |
106 |
31 |
12508 |
914.5 |
-9.1 |
0.206 |
11 |
12 |
0 |
0.098 |
2 |
|
A |
98 |
30 |
12737 |
◊ |
A |
-x,-y,z |
2_555 |
98 |
30 |
12737 |
872.6 |
-6.8 |
0.335 |
12 |
8 |
0 |
0.098 |
Average: |
893.6 |
-7.9 |
0.270 |
12 |
10 |
0 |
0.098 |
2 |
3 |
|
C |
30 |
10 |
12742 |
x |
C |
x,y,z-1 |
1_554 |
39 |
15 |
12742 |
320.9 |
-0.6 |
0.594 |
2 |
0 |
0 |
0.000 |
4 |
|
A |
32 |
10 |
12737 |
x |
A |
x,y,z-1 |
1_554 |
36 |
15 |
12737 |
320.2 |
-1.1 |
0.558 |
2 |
0 |
0 |
0.000 |
5 |
|
B |
24 |
7 |
12508 |
x |
B |
x,y,z-1 |
1_554 |
31 |
13 |
12508 |
238.6 |
-1.6 |
0.456 |
0 |
0 |
0 |
0.000 |
Average: |
293.2 |
-1.1 |
0.536 |
1 |
0 |
0 |
0.000 |
3 |
6 |
|
C |
36 |
14 |
12742 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
3_457 |
33 |
12 |
12508 |
315.4 |
0.3 |
0.659 |
8 |
4 |
0 |
0.025 |
4 |
7 |
|
C |
34 |
13 |
12742 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
3_457 |
26 |
8 |
12737 |
284.5 |
-5.5 |
0.118 |
2 |
4 |
0 |
0.030 |
5 |
8 |
|
B |
30 |
12 |
12508 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
12737 |
259.6 |
0.8 |
0.704 |
5 |
5 |
0 |
0.011 |
6 |
9 |
|
[2J9]C:301 |
15 |
1 |
389 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
12508 |
150.7 |
-2.3 |
0.434 |
0 |
0 |
0 |
0.030 |
10 |
|
[2J9]B:301 |
15 |
1 |
390 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
12742 |
150.3 |
-2.3 |
0.440 |
0 |
0 |
0 |
0.030 |
11 |
|
[2J9]A:301 |
15 |
1 |
388 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12737 |
149.0 |
-2.2 |
0.435 |
0 |
0 |
0 |
0.030 |
Average: |
150.0 |
-2.3 |
0.436 |
0 |
0 |
0 |
0.030 |
7 |
12 |
|
[2J9]C:301 |
14 |
1 |
389 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
12742 |
143.7 |
-1.0 |
0.540 |
2 |
0 |
0 |
0.024 |
13 |
|
[2J9]A:301 |
14 |
1 |
388 |
◊ |
A |
-x,-y,z |
2_555 |
20 |
7 |
12737 |
143.2 |
-1.0 |
0.550 |
2 |
0 |
0 |
0.024 |
14 |
|
[2J9]B:301 |
14 |
1 |
390 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
12508 |
143.0 |
-1.0 |
0.517 |
2 |
0 |
0 |
0.024 |
Average: |
143.3 |
-1.0 |
0.536 |
2 |
0 |
0 |
0.024 |
8 |
15 |
|
[GOL]A:314 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
12737 |
127.3 |
-1.2 |
0.486 |
3 |
0 |
0 |
0.020 |
9 |
16 |
|
[GOL]A:315 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
12737 |
122.0 |
-1.1 |
0.432 |
1 |
0 |
0 |
0.012 |
10 |
17 |
|
C |
9 |
3 |
12742 |
◊ |
B |
-x,-y+1,z |
2_565 |
13 |
4 |
12508 |
114.7 |
-2.6 |
0.091 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[ACT]C:303 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
22 |
11 |
12742 |
110.3 |
1.7 |
0.749 |
3 |
0 |
0 |
0.000 |
12 |
19 |
|
A |
12 |
5 |
12737 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
11 |
3 |
12508 |
107.0 |
1.1 |
0.780 |
3 |
3 |
0 |
0.004 |
13 |
20 |
|
[ACT]C:307 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
12742 |
99.8 |
0.0 |
0.708 |
2 |
0 |
0 |
0.007 |
14 |
21 |
|
[ACT]A:308 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12737 |
98.0 |
0.2 |
0.748 |
1 |
0 |
0 |
0.002 |
15 |
22 |
|
[ACT]B:304 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12508 |
97.6 |
-0.3 |
0.644 |
2 |
0 |
0 |
0.016 |
16 |
23 |
|
[ACT]A:303 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
12737 |
97.2 |
-0.5 |
0.655 |
2 |
0 |
0 |
0.011 |
17 |
24 |
|
[GOL]A:316 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12737 |
96.1 |
0.1 |
0.623 |
4 |
0 |
0 |
0.013 |
18 |
25 |
|
[GOL]A:317 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12737 |
91.4 |
0.2 |
0.603 |
2 |
0 |
0 |
0.005 |
19 |
26 |
|
[GOL]B:309 |
5 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12508 |
86.1 |
1.0 |
0.716 |
4 |
0 |
0 |
0.011 |
20 |
27 |
|
[ACT]A:305 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12737 |
84.6 |
-0.0 |
0.681 |
1 |
0 |
0 |
0.004 |
21 |
28 |
|
[CAC]A:313 |
5 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
12737 |
82.9 |
2.3 |
0.266 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[ACT]B:303 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12508 |
72.1 |
-0.1 |
0.722 |
1 |
0 |
0 |
0.007 |
23 |
30 |
|
C |
7 |
2 |
12742 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12737 |
71.2 |
-1.2 |
0.290 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
C |
12 |
3 |
12742 |
◊ |
[ACT]A:306 |
x-1/2,-y+1/2,-z+2 |
3_457 |
4 |
1 |
182 |
69.1 |
-0.4 |
0.657 |
0 |
0 |
0 |
0.002 |
25 |
32 |
|
[CAC]A:313 |
5 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12508 |
68.2 |
1.0 |
0.179 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[ACT]C:304 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12742 |
66.7 |
0.4 |
0.706 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[ACT]A:307 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
12737 |
66.4 |
-0.1 |
0.702 |
0 |
0 |
0 |
0.001 |
28 |
35 |
|
[ACT]A:304 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12737 |
65.2 |
0.1 |
0.690 |
1 |
0 |
0 |
0.003 |
29 |
36 |
|
C |
7 |
3 |
12742 |
◊ |
[ACT]B:303 |
x-1/2,-y+1/2,-z+2 |
3_457 |
4 |
1 |
183 |
62.9 |
-0.2 |
0.624 |
0 |
0 |
0 |
0.002 |
30 |
37 |
|
[ACT]C:306 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12508 |
62.3 |
-0.1 |
0.663 |
0 |
0 |
0 |
0.001 |
31 |
38 |
|
[GOL]B:308 |
4 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12742 |
62.2 |
-0.4 |
0.522 |
0 |
0 |
0 |
0.004 |
32 |
39 |
|
[ACT]C:305 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12742 |
59.9 |
1.1 |
0.853 |
2 |
0 |
0 |
0.000 |
33 |
40 |
|
[GOL]B:308 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
12508 |
59.1 |
0.8 |
0.761 |
1 |
0 |
0 |
0.000 |
34 |
41 |
|
[ACT]A:306 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12737 |
52.1 |
0.6 |
0.751 |
2 |
0 |
0 |
0.002 |
35 |
42 |
|
[ZN]B:307 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
12508 |
51.3 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.386 |
43 |
|
[ZN]A:310 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
12737 |
51.1 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.386 |
44 |
|
[ZN]C:309 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
12742 |
49.2 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.386 |
Average: |
50.5 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.386 |
36 |
45 |
|
[2J9]A:301 |
8 |
1 |
388 |
◊ |
[2J9]A:301 |
-x,-y,z |
2_555 |
8 |
1 |
388 |
49.3 |
-0.3 |
0.740 |
0 |
0 |
0 |
0.002 |
46 |
|
[2J9]C:301 |
8 |
1 |
389 |
◊ |
[2J9]B:301 |
x,y,z |
1_555 |
8 |
1 |
390 |
49.0 |
-0.3 |
0.740 |
0 |
0 |
0 |
0.002 |
Average: |
49.1 |
-0.3 |
0.740 |
0 |
0 |
0 |
0.002 |
37 |
47 |
|
[ACT]A:304 |
3 |
1 |
182 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
2 |
12737 |
44.7 |
-0.2 |
0.686 |
0 |
0 |
0 |
0.002 |
38 |
48 |
|
[ZN]C:308 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
12742 |
42.2 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.267 |
49 |
|
[ZN]A:312 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12737 |
41.6 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.267 |
50 |
|
[ZN]B:305 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12508 |
31.0 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.267 |
Average: |
38.3 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.267 |
39 |
51 |
|
[CAC]A:313 |
4 |
1 |
235 |
f |
[ACT]A:305 |
x,y,z |
1_555 |
3 |
1 |
183 |
36.5 |
1.1 |
0.215 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
C |
6 |
3 |
12742 |
◊ |
[ZN]B:306 |
x-1/2,-y+1/2,-z+2 |
3_457 |
1 |
1 |
98 |
33.8 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.122 |
41 |
53 |
|
[ZN]C:310 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
12742 |
33.3 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.137 |
42 |
54 |
|
[ZN]C:308 |
1 |
1 |
98 |
f |
[ACT]C:305 |
x,y,z |
1_555 |
3 |
1 |
183 |
31.5 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.293 |
55 |
|
[ZN]B:306 |
1 |
1 |
98 |
f |
[ACT]B:303 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.293 |
56 |
|
[ZN]A:311 |
1 |
1 |
98 |
f |
[ACT]A:305 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.293 |
57 |
|
[ZN]A:309 |
1 |
1 |
98 |
cf |
[ACT]A:306 |
x,y,z |
1_555 |
3 |
1 |
182 |
27.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.293 |
58 |
|
[ZN]C:310 |
1 |
1 |
98 |
f |
[ACT]C:307 |
x,y,z |
1_555 |
3 |
1 |
182 |
24.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.293 |
Average: |
27.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.293 |
43 |
59 |
|
[ACT]C:306 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
12742 |
30.9 |
0.3 |
0.774 |
0 |
0 |
0 |
0.000 |
44 |
60 |
|
[ZN]A:309 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12737 |
30.3 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.132 |
45 |
61 |
|
[ZN]A:312 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
12508 |
30.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.067 |
46 |
62 |
|
[ZN]C:310 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
3_457 |
3 |
1 |
12508 |
29.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.078 |
47 |
63 |
|
[ACT]C:307 |
4 |
1 |
182 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
3_457 |
4 |
1 |
12508 |
29.5 |
0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
48 |
64 |
|
[ZN]B:306 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12508 |
29.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.172 |
65 |
|
C |
8 |
3 |
12742 |
◊ |
[ZN]A:309 |
x-1/2,-y+1/2,-z+2 |
3_457 |
1 |
1 |
98 |
27.7 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.172 |
Average: |
28.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.172 |
49 |
66 |
|
[ACT]A:308 |
2 |
1 |
183 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
12737 |
28.7 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
50 |
67 |
|
[ZN]B:305 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12737 |
28.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.065 |
51 |
68 |
|
[ZN]A:311 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12737 |
27.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.090 |
52 |
69 |
|
[ACT]C:305 |
3 |
1 |
183 |
◊ |
C |
-x,-y+1,z |
2_565 |
3 |
1 |
12742 |
25.0 |
-0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
53 |
70 |
|
[CAC]A:313 |
4 |
1 |
235 |
f |
[ZN]A:311 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.086 |
54 |
71 |
|
[CAC]A:313 |
4 |
1 |
235 |
◊ |
[ZN]B:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.047 |
55 |
72 |
|
[ZN]A:311 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12508 |
15.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.030 |
56 |
73 |
|
[ZN]B:307 |
1 |
1 |
98 |
◊ |
C |
-x,-y+1,z |
2_565 |
2 |
1 |
12742 |
13.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
74 |
|
[ACT]C:303 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
12508 |
4.0 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
58 |
75 |
|
A |
1 |
1 |
12737 |
◊ |
[GOL]A:315 |
x,y,z-1 |
1_554 |
1 |
1 |
221 |
2.3 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
|