## |
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 |
172 |
52 |
20628 |
◊ |
A |
x,y,z |
1_555 |
161 |
50 |
21113 |
1517.5 |
-1.1 |
0.685 |
19 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
102 |
31 |
21113 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
110 |
30 |
21113 |
901.9 |
-1.7 |
0.577 |
11 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
58 |
18 |
21113 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
73 |
24 |
20628 |
620.9 |
-5.2 |
0.250 |
2 |
0 |
0 |
0.047 |
4 |
4 |
|
A |
53 |
14 |
21113 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
57 |
19 |
20628 |
469.2 |
-0.3 |
0.578 |
7 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
46 |
15 |
20628 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
46 |
17 |
21113 |
437.5 |
-2.6 |
0.351 |
5 |
0 |
0 |
0.000 |
6 |
6 |
|
[BHR]B:506 |
27 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
53 |
14 |
20628 |
316.4 |
0.1 |
0.342 |
3 |
0 |
0 |
0.009 |
7 |
7 |
|
[BHR]A:520 |
25 |
1 |
537 |
f |
A |
x,y,z |
1_555 |
48 |
13 |
21113 |
311.9 |
-0.4 |
0.365 |
2 |
0 |
0 |
0.010 |
8 |
8 |
|
A |
17 |
5 |
21113 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
5 |
20628 |
177.5 |
-0.6 |
0.491 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
B |
15 |
7 |
20628 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
9 |
20628 |
165.4 |
-0.4 |
0.439 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[DTD]B:508 |
8 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
20628 |
164.9 |
-1.4 |
0.404 |
1 |
0 |
0 |
0.015 |
11 |
11 |
|
[DTD]A:522 |
8 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
21113 |
164.5 |
-1.5 |
0.397 |
1 |
0 |
0 |
0.015 |
12 |
12 |
|
[GOL]B:509 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
20628 |
150.7 |
-0.7 |
0.486 |
2 |
0 |
0 |
0.012 |
13 |
13 |
|
[GOL]A:514 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21113 |
132.6 |
-0.7 |
0.435 |
1 |
0 |
0 |
0.009 |
14 |
14 |
|
[GOL]A:512 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
21113 |
130.6 |
-0.6 |
0.448 |
1 |
0 |
0 |
0.008 |
15 |
15 |
|
[GOL]B:504 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
20628 |
128.5 |
-1.7 |
0.310 |
1 |
0 |
0 |
0.017 |
16 |
16 |
|
[GOL]A:516 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21113 |
124.8 |
0.4 |
0.615 |
6 |
0 |
0 |
0.018 |
17 |
17 |
|
[ACT]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
21113 |
123.5 |
-0.6 |
0.618 |
0 |
0 |
0 |
0.005 |
18 |
18 |
|
[GOL]A:515 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
21113 |
121.1 |
-0.8 |
0.469 |
3 |
0 |
0 |
0.016 |
19 |
19 |
|
[GOL]A:526 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
21113 |
108.6 |
0.3 |
0.633 |
3 |
0 |
0 |
0.008 |
20 |
20 |
|
[GOL]B:510 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
20628 |
108.3 |
-0.9 |
0.456 |
1 |
0 |
0 |
0.010 |
21 |
21 |
|
[GOL]A:527 |
6 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
21113 |
107.5 |
-0.8 |
0.435 |
0 |
0 |
0 |
0.007 |
22 |
22 |
|
A |
17 |
8 |
21113 |
f |
[GOL]A:513 |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
215 |
105.8 |
-0.1 |
0.592 |
2 |
0 |
0 |
0.008 |
23 |
23 |
|
[ACT]B:511 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
20628 |
105.0 |
-0.0 |
0.699 |
1 |
0 |
0 |
0.004 |
24 |
24 |
|
[GOL]A:511 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
21113 |
99.3 |
-0.3 |
0.558 |
1 |
0 |
0 |
0.006 |
25 |
25 |
|
B |
13 |
6 |
20628 |
f |
[GOL]A:510 |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
1 |
219 |
96.6 |
-1.4 |
0.333 |
1 |
0 |
0 |
0.014 |
26 |
26 |
|
[ACT]A:508 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21113 |
95.4 |
-1.0 |
0.549 |
2 |
0 |
0 |
0.015 |
27 |
27 |
|
[ACT]A:503 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
21113 |
93.1 |
1.0 |
0.808 |
3 |
0 |
0 |
0.002 |
28 |
28 |
|
A |
13 |
6 |
21113 |
f |
[ACT]A:506 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
184 |
91.5 |
-0.5 |
0.557 |
1 |
0 |
0 |
0.008 |
29 |
29 |
|
[ACT]A:507 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
21113 |
90.7 |
-0.8 |
0.587 |
1 |
0 |
0 |
0.010 |
30 |
30 |
|
[ACT]B:512 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
20628 |
90.1 |
-0.7 |
0.614 |
0 |
0 |
0 |
0.005 |
31 |
31 |
|
[GOL]A:510 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
21113 |
89.9 |
-0.7 |
0.419 |
1 |
0 |
0 |
0.000 |
32 |
32 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
20628 |
88.9 |
-0.9 |
0.503 |
1 |
0 |
0 |
0.011 |
33 |
33 |
|
[ACT]B:502 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20628 |
87.2 |
-0.1 |
0.597 |
3 |
0 |
0 |
0.011 |
34 |
34 |
|
[ACT]B:503 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20628 |
80.8 |
-0.5 |
0.584 |
1 |
0 |
0 |
0.000 |
35 |
35 |
|
A |
13 |
3 |
21113 |
◊ |
[GOL]A:525 |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
216 |
79.7 |
-0.5 |
0.431 |
0 |
0 |
0 |
0.000 |
36 |
36 |
|
[GOL]A:525 |
4 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
21113 |
72.0 |
-1.1 |
0.324 |
0 |
0 |
0 |
0.008 |
37 |
37 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20628 |
70.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.086 |
38 |
38 |
|
[GOL]A:513 |
5 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21113 |
70.6 |
-0.9 |
0.462 |
0 |
0 |
0 |
0.000 |
39 |
39 |
|
[SO4]A:509 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
21113 |
68.4 |
-9.1 |
0.909 |
4 |
0 |
0 |
0.085 |
40 |
40 |
|
[CL]A:518 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21113 |
65.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.066 |
41 |
41 |
|
[ACT]A:506 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21113 |
63.5 |
-0.1 |
0.627 |
1 |
0 |
0 |
0.000 |
42 |
42 |
|
A |
11 |
5 |
21113 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
4 |
20628 |
63.4 |
0.4 |
0.689 |
0 |
0 |
0 |
0.000 |
43 |
43 |
|
[ACT]A:504 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
21113 |
58.9 |
-0.4 |
0.554 |
0 |
0 |
0 |
0.000 |
44 |
44 |
|
[CL]A:523 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
21113 |
58.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.064 |
45 |
45 |
|
[SO4]A:509 |
4 |
1 |
185 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
20628 |
57.4 |
-7.2 |
0.902 |
2 |
0 |
0 |
0.063 |
46 |
46 |
|
[CL]A:517 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
21113 |
57.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.054 |
47 |
47 |
|
[ACT]B:503 |
3 |
1 |
183 |
f |
A |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
4 |
21113 |
56.6 |
-1.0 |
0.477 |
0 |
0 |
0 |
0.008 |
48 |
48 |
|
[ACT]A:505 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
21113 |
55.8 |
0.1 |
0.631 |
1 |
0 |
0 |
0.002 |
49 |
49 |
|
[GOL]A:527 |
4 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
20628 |
55.8 |
-0.3 |
0.609 |
1 |
0 |
0 |
0.000 |
50 |
50 |
|
[FE]A:521 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
21113 |
50.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.082 |
51 |
|
[FE]B:507 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
20628 |
43.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
47.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.082 |
51 |
52 |
|
[CL]A:519 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
3 |
20628 |
50.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.042 |
52 |
53 |
|
[CL]A:519 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
21113 |
50.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.044 |
53 |
54 |
|
[FE]B:507 |
1 |
1 |
137 |
f |
[BHR]B:506 |
x,y,z |
1_555 |
4 |
1 |
552 |
48.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.075 |
54 |
55 |
|
B |
6 |
3 |
20628 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
20628 |
35.1 |
0.5 |
0.749 |
0 |
1 |
0 |
0.000 |
55 |
56 |
|
[GOL]A:516 |
4 |
1 |
222 |
f |
[ACT]A:505 |
x,y,z |
1_555 |
4 |
1 |
183 |
30.8 |
0.1 |
0.636 |
1 |
0 |
0 |
0.002 |
56 |
57 |
|
[ACT]A:507 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20628 |
27.0 |
0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
[GOL]A:515 |
2 |
1 |
219 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
21113 |
17.2 |
0.0 |
0.734 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[CL]A:518 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
20628 |
16.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
60 |
|
[BHR]A:520 |
1 |
1 |
537 |
f |
[CL]A:519 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.012 |
60 |
61 |
|
[CL]A:523 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20628 |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
62 |
|
[GOL]B:504 |
2 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21113 |
9.5 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
62 |
63 |
|
[BHR]A:520 |
2 |
1 |
537 |
f |
[CL]A:517 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
63 |
64 |
|
B |
1 |
1 |
20628 |
◊ |
[GOL]A:511 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
219 |
3.8 |
-0.0 |
0.420 |
0 |
0 |
0 |
0.000 |
64 |
65 |
|
[BHR]B:506 |
1 |
1 |
552 |
f |
[CL]B:505 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|