## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
45 |
13 |
7582 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
45 |
13 |
7582 |
413.8 |
-0.2 |
0.531 |
2 |
0 |
0 |
0.002 |
2 |
|
C |
43 |
5 |
1556 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
7582 |
389.8 |
-2.9 |
0.552 |
6 |
0 |
0 |
0.019 |
3 |
|
A |
43 |
12 |
7582 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
39 |
11 |
7582 |
336.2 |
1.5 |
0.658 |
2 |
5 |
0 |
0.000 |
4 |
|
b |
29 |
2 |
694 |
◊ |
A |
x,y,z |
1_555 |
36 |
15 |
7582 |
260.5 |
-4.5 |
0.365 |
6 |
0 |
0 |
0.032 |
5 |
|
B |
26 |
3 |
1041 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
7582 |
229.5 |
-3.7 |
0.414 |
3 |
0 |
0 |
0.026 |
6 |
|
B |
20 |
4 |
1041 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1556 |
173.5 |
-2.3 |
0.530 |
7 |
0 |
0 |
0.061 |
7 |
|
[PGE]A:213 |
10 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
7582 |
142.2 |
4.0 |
0.225 |
2 |
0 |
0 |
0.000 |
8 |
|
b |
16 |
2 |
694 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
1556 |
129.3 |
0.6 |
0.716 |
6 |
0 |
0 |
0.006 |
9 |
|
[GOL]A:210 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7582 |
123.9 |
-1.1 |
0.394 |
1 |
0 |
0 |
0.008 |
10 |
|
A |
16 |
5 |
7582 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
16 |
5 |
7582 |
121.6 |
-0.3 |
0.513 |
0 |
0 |
0 |
0.000 |
11 |
|
[GOL]A:212 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
7582 |
115.7 |
-1.3 |
0.377 |
0 |
0 |
0 |
0.007 |
12 |
|
[GOL]A:211 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7582 |
106.0 |
-0.5 |
0.493 |
1 |
0 |
0 |
0.005 |
13 |
|
[GOL]A:208 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
7582 |
105.5 |
-0.8 |
0.421 |
1 |
0 |
0 |
0.006 |
14 |
|
C |
13 |
1 |
1556 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1556 |
92.7 |
2.0 |
0.738 |
0 |
0 |
0 |
0.000 |
15 |
|
b |
12 |
1 |
694 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1041 |
91.8 |
3.1 |
0.852 |
0 |
0 |
0 |
0.000 |
16 |
|
[K]A:202 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
7582 |
90.2 |
-68.5 |
0.000 |
0 |
0 |
0 |
0.344 |
17 |
|
[PGE]A:213 |
7 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
1041 |
89.9 |
0.9 |
0.197 |
0 |
0 |
0 |
0.000 |
18 |
|
[IOD]A:204 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
7582 |
83.1 |
0.2 |
0.733 |
0 |
0 |
0 |
0.000 |
19 |
|
[K]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
1556 |
82.3 |
-51.9 |
0.000 |
0 |
0 |
0 |
0.588 |
20 |
|
[K]A:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
7582 |
81.1 |
-45.8 |
0.000 |
0 |
0 |
0 |
0.231 |
21 |
|
[EDO]C:102 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
1556 |
79.7 |
2.9 |
0.292 |
0 |
0 |
0 |
0.000 |
22 |
|
[IOD]A:205 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7582 |
71.1 |
-0.5 |
0.553 |
0 |
0 |
0 |
0.002 |
23 |
|
[IOD]A:206 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7582 |
69.1 |
-0.5 |
0.485 |
0 |
0 |
0 |
0.002 |
24 |
|
[GOL]A:209 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
1556 |
68.2 |
1.1 |
0.629 |
1 |
0 |
0 |
0.000 |
25 |
|
b |
14 |
1 |
694 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1041 |
65.7 |
-0.1 |
0.653 |
1 |
0 |
0 |
0.002 |
26 |
|
[GOL]A:209 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7582 |
63.9 |
-0.1 |
0.584 |
2 |
0 |
0 |
0.005 |
27 |
|
[K]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1041 |
62.0 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.375 |
28 |
|
[GOL]A:212 |
6 |
1 |
216 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
7582 |
59.3 |
0.4 |
0.661 |
1 |
0 |
0 |
0.000 |
29 |
|
[K]A:202 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
10 |
2 |
694 |
48.1 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.116 |
30 |
|
[IOD]A:207 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7582 |
46.0 |
-0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
7 |
2 |
7582 |
f |
[IOD]A:207 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
144 |
45.4 |
-0.3 |
0.595 |
0 |
0 |
0 |
0.001 |
32 |
|
C |
6 |
1 |
1556 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
1041 |
44.0 |
0.7 |
0.630 |
0 |
0 |
0 |
0.000 |
33 |
|
[K]A:203 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
1041 |
44.0 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.115 |
34 |
|
[EDO]C:102 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7582 |
40.4 |
0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
35 |
|
[GOL]A:210 |
4 |
1 |
217 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7582 |
32.9 |
0.5 |
0.727 |
1 |
0 |
0 |
0.000 |
36 |
|
[K]A:203 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
694 |
32.6 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.072 |
37 |
|
[IOD]A:206 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
7582 |
29.5 |
-0.3 |
0.582 |
0 |
0 |
0 |
0.001 |
38 |
|
[MG]b:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
7582 |
28.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.019 |
39 |
|
[GOL]A:209 |
2 |
1 |
220 |
◊ |
b |
x,y,z |
1_555 |
6 |
2 |
694 |
28.5 |
0.5 |
0.685 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
3 |
1 |
7582 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
27.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.055 |
41 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7582 |
25.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.022 |
42 |
|
[MG]b:201 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
694 |
21.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.014 |
43 |
|
A |
5 |
2 |
7582 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1041 |
19.1 |
0.6 |
0.626 |
0 |
0 |
0 |
0.000 |
44 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
3 |
1 |
694 |
18.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.011 |
45 |
|
[K]A:202 |
1 |
1 |
216 |
f |
[MG]b:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.053 |
46 |
|
b |
3 |
1 |
694 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1556 |
16.1 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.003 |
47 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1041 |
15.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
48 |
|
[PGE]A:213 |
1 |
1 |
334 |
f |
[K]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.025 |
49 |
|
[K]A:203 |
1 |
1 |
216 |
f |
[K]A:202 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.062 |
50 |
|
[K]A:203 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.037 |
51 |
|
[K]A:203 |
1 |
1 |
216 |
f |
[MG]b:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.037 |
52 |
|
[GOL]A:208 |
2 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1556 |
10.2 |
-0.6 |
0.323 |
0 |
0 |
0 |
0.002 |
53 |
|
[PGE]A:213 |
2 |
1 |
334 |
f |
[IOD]A:205 |
x,y,z |
1_555 |
1 |
1 |
144 |
9.8 |
0.1 |
0.387 |
0 |
0 |
0 |
0.000 |
54 |
|
C |
1 |
1 |
1556 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7582 |
7.9 |
0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
55 |
|
[MG]b:201 |
1 |
1 |
98 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
56 |
|
[GOL]A:209 |
2 |
1 |
220 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
1041 |
4.0 |
0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]C:102 |
1 |
1 |
184 |
f |
[K]C:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
58 |
|
[IOD]A:204 |
1 |
1 |
144 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
7582 |
1.5 |
0.0 |
0.827 |
0 |
0 |
0 |
0.000 |
|