## |
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 |
|
G |
63 |
17 |
3915 |
◊ |
A |
x,y,z |
1_555 |
62 |
17 |
3825 |
613.1 |
-0.0 |
0.618 |
11 |
6 |
0 |
0.199 |
2 |
|
J |
62 |
17 |
3844 |
◊ |
C |
x,y,z |
1_555 |
63 |
17 |
3900 |
609.1 |
0.1 |
0.626 |
9 |
6 |
0 |
0.199 |
3 |
|
H |
64 |
17 |
3918 |
◊ |
E |
x,y,z |
1_555 |
60 |
17 |
3841 |
608.9 |
0.2 |
0.615 |
12 |
6 |
0 |
0.199 |
4 |
|
I |
62 |
17 |
3911 |
◊ |
D |
x,y,z |
1_555 |
62 |
17 |
3902 |
608.7 |
0.4 |
0.645 |
12 |
6 |
0 |
0.199 |
5 |
|
F |
64 |
17 |
3903 |
◊ |
B |
x,y,z |
1_555 |
62 |
17 |
3907 |
600.0 |
0.3 |
0.637 |
12 |
5 |
0 |
0.199 |
Average: |
608.0 |
0.2 |
0.628 |
11 |
6 |
0 |
0.199 |
2 |
6 |
|
H |
32 |
10 |
3918 |
◊ |
D |
x,y,z |
1_555 |
32 |
10 |
3902 |
350.4 |
-8.7 |
0.036 |
2 |
0 |
0 |
0.615 |
7 |
|
I |
34 |
10 |
3911 |
◊ |
C |
x,y,z |
1_555 |
35 |
10 |
3900 |
349.7 |
-8.8 |
0.037 |
2 |
0 |
0 |
0.615 |
8 |
|
F |
32 |
11 |
3903 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
3825 |
325.2 |
-7.4 |
0.056 |
2 |
0 |
0 |
0.615 |
9 |
|
G |
30 |
11 |
3915 |
◊ |
E |
x,y,z |
1_555 |
35 |
10 |
3841 |
317.8 |
-7.3 |
0.059 |
2 |
0 |
0 |
0.615 |
10 |
|
J |
32 |
10 |
3844 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
3907 |
314.7 |
-7.3 |
0.062 |
2 |
0 |
0 |
0.615 |
Average: |
331.6 |
-7.9 |
0.050 |
2 |
0 |
0 |
0.615 |
3 |
11 |
|
D |
32 |
12 |
3902 |
◊ |
C |
x,y,z |
1_555 |
35 |
11 |
3900 |
306.1 |
-2.6 |
0.387 |
2 |
0 |
0 |
0.241 |
12 |
|
E |
32 |
12 |
3841 |
◊ |
D |
x,y,z |
1_555 |
35 |
11 |
3902 |
306.0 |
-2.5 |
0.379 |
2 |
0 |
0 |
0.241 |
13 |
|
C |
33 |
13 |
3900 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
3907 |
302.3 |
-2.6 |
0.393 |
2 |
0 |
0 |
0.241 |
14 |
|
B |
32 |
12 |
3907 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
3825 |
301.4 |
-2.3 |
0.368 |
2 |
0 |
0 |
0.241 |
15 |
|
H |
33 |
12 |
3918 |
◊ |
G |
x,y,z |
1_555 |
34 |
10 |
3915 |
301.0 |
-2.6 |
0.380 |
2 |
0 |
0 |
0.241 |
16 |
|
J |
33 |
9 |
3844 |
◊ |
F |
x,y,z |
1_555 |
32 |
12 |
3903 |
300.0 |
-2.5 |
0.361 |
2 |
0 |
0 |
0.241 |
17 |
|
I |
31 |
12 |
3911 |
◊ |
H |
x,y,z |
1_555 |
34 |
10 |
3918 |
297.9 |
-2.4 |
0.386 |
2 |
0 |
0 |
0.241 |
18 |
|
E |
32 |
10 |
3841 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
3825 |
297.6 |
-2.5 |
0.342 |
2 |
0 |
0 |
0.241 |
19 |
|
G |
32 |
13 |
3915 |
◊ |
F |
x,y,z |
1_555 |
34 |
10 |
3903 |
294.7 |
-2.6 |
0.384 |
2 |
0 |
0 |
0.241 |
20 |
|
J |
32 |
12 |
3844 |
◊ |
I |
x,y,z |
1_555 |
34 |
10 |
3911 |
289.5 |
-2.7 |
0.372 |
2 |
0 |
0 |
0.241 |
Average: |
299.6 |
-2.5 |
0.375 |
2 |
0 |
0 |
0.241 |
4 |
21 |
|
J |
24 |
6 |
3844 |
◊ |
G |
-x+1,y-1/2,-z-1 |
2_644 |
27 |
7 |
3915 |
222.7 |
0.2 |
0.601 |
3 |
3 |
0 |
0.000 |
22 |
|
C |
27 |
8 |
3900 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
24 |
6 |
3825 |
218.7 |
0.1 |
0.595 |
3 |
3 |
0 |
0.000 |
Average: |
220.7 |
0.2 |
0.598 |
3 |
3 |
0 |
0.000 |
5 |
23 |
|
I |
21 |
6 |
3911 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
31 |
10 |
3918 |
208.3 |
-1.5 |
0.413 |
1 |
1 |
0 |
0.000 |
6 |
24 |
|
J |
7 |
2 |
3844 |
◊ |
F |
-x+1,y-1/2,-z-1 |
2_644 |
12 |
6 |
3903 |
75.0 |
-0.8 |
0.476 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
12 |
7 |
3907 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
3825 |
73.8 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.000 |
Average: |
74.4 |
-0.8 |
0.478 |
0 |
0 |
0 |
0.000 |
7 |
26 |
|
[SCN]F:59 |
3 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
3915 |
69.3 |
-1.2 |
0.647 |
2 |
0 |
0 |
0.041 |
8 |
27 |
|
[SCN]F:59 |
3 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
14 |
4 |
3903 |
67.4 |
-1.7 |
0.599 |
0 |
0 |
0 |
0.012 |
9 |
28 |
|
[SCN]B:59 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
3907 |
67.3 |
-2.2 |
0.562 |
1 |
0 |
0 |
0.019 |
10 |
29 |
|
[SCN]H:59 |
3 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
3918 |
63.8 |
-1.6 |
0.535 |
0 |
0 |
0 |
0.012 |
11 |
30 |
|
[SCN]C:59 |
3 |
1 |
181 |
◊ |
I |
x,y,z |
1_555 |
14 |
5 |
3911 |
63.2 |
-1.7 |
0.615 |
0 |
0 |
0 |
0.012 |
12 |
31 |
|
B |
9 |
3 |
3907 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
8 |
3 |
3915 |
62.0 |
0.6 |
0.696 |
2 |
2 |
0 |
0.000 |
32 |
|
C |
8 |
3 |
3900 |
◊ |
F |
-x+1,y-1/2,-z-1 |
2_644 |
8 |
3 |
3903 |
58.5 |
0.5 |
0.686 |
1 |
2 |
0 |
0.000 |
Average: |
60.3 |
0.5 |
0.691 |
2 |
2 |
0 |
0.000 |
13 |
33 |
|
[SCN]I:60 |
3 |
1 |
180 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
3911 |
61.7 |
-1.7 |
0.567 |
0 |
0 |
0 |
0.012 |
14 |
34 |
|
[SCN]H:59 |
3 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
8 |
2 |
3841 |
61.2 |
-2.3 |
0.522 |
0 |
0 |
0 |
0.100 |
15 |
35 |
|
[SCN]I:60 |
3 |
1 |
180 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
3902 |
59.4 |
-1.8 |
0.595 |
0 |
0 |
0 |
0.100 |
16 |
36 |
|
[SCN]F:60 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
3907 |
59.1 |
-2.1 |
0.529 |
0 |
0 |
0 |
0.100 |
17 |
37 |
|
[SCN]F:60 |
3 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
3903 |
59.0 |
-1.2 |
0.631 |
0 |
0 |
0 |
0.009 |
18 |
38 |
|
[SCN]B:60 |
3 |
1 |
181 |
f |
J |
x,y,z |
1_555 |
12 |
5 |
3844 |
56.6 |
-1.9 |
0.567 |
1 |
0 |
0 |
0.045 |
19 |
39 |
|
[SCN]A:60 |
3 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
3903 |
55.2 |
-1.8 |
0.580 |
1 |
0 |
0 |
0.100 |
20 |
40 |
|
[SCN]I:59 |
3 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
3911 |
54.9 |
-0.6 |
0.627 |
0 |
0 |
0 |
0.039 |
21 |
41 |
|
[SCN]A:59 |
3 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
3841 |
54.4 |
-0.8 |
0.605 |
0 |
0 |
0 |
0.005 |
22 |
42 |
|
[SCN]A:59 |
3 |
1 |
182 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
3915 |
54.3 |
-2.1 |
0.569 |
2 |
0 |
0 |
0.059 |
23 |
43 |
|
[SCN]C:59 |
3 |
1 |
181 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
3844 |
52.4 |
-1.9 |
0.592 |
2 |
0 |
0 |
0.055 |
24 |
44 |
|
[SCN]I:59 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
3900 |
51.9 |
-2.2 |
0.561 |
1 |
0 |
0 |
0.170 |
25 |
45 |
|
[SCN]B:59 |
3 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
3900 |
46.3 |
-1.9 |
0.580 |
2 |
0 |
0 |
0.177 |
26 |
46 |
|
[SCN]A:60 |
2 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
3825 |
44.8 |
0.3 |
0.602 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
[SCN]B:60 |
3 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
3907 |
44.7 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
[SCN]B:59 |
3 |
1 |
182 |
◊ |
J |
x,y,z |
1_555 |
8 |
2 |
3844 |
41.1 |
0.4 |
0.692 |
0 |
0 |
0 |
0.000 |
29 |
49 |
|
[SCN]C:59 |
2 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
3900 |
39.0 |
0.5 |
0.676 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
[SCN]A:60 |
3 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
3915 |
38.4 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
31 |
51 |
|
[SCN]B:60 |
3 |
1 |
181 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
3903 |
33.2 |
0.2 |
0.804 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
[SCN]A:59 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
3825 |
25.9 |
0.9 |
0.830 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
[SCN]I:59 |
3 |
1 |
184 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
3844 |
25.5 |
0.7 |
0.829 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
[SCN]A:59 |
2 |
1 |
182 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
3918 |
23.9 |
-0.2 |
0.715 |
1 |
0 |
0 |
0.008 |
55 |
|
[SCN]I:59 |
2 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
3902 |
22.4 |
-0.1 |
0.715 |
1 |
0 |
0 |
0.008 |
Average: |
23.1 |
-0.1 |
0.715 |
1 |
0 |
0 |
0.008 |
35 |
56 |
|
[SCN]F:60 |
1 |
1 |
182 |
◊ |
[SCN]B:60 |
x,y,z |
1_555 |
3 |
1 |
181 |
16.6 |
0.0 |
0.703 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
[SCN]F:60 |
1 |
1 |
182 |
◊ |
[SCN]A:60 |
x,y,z |
1_555 |
1 |
1 |
182 |
15.5 |
-1.3 |
0.333 |
0 |
0 |
0 |
0.010 |
37 |
58 |
|
[SCN]I:60 |
1 |
1 |
180 |
◊ |
[SCN]I:59 |
x,y,z |
1_555 |
3 |
1 |
184 |
15.3 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
38 |
59 |
|
[SCN]A:60 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3907 |
13.0 |
-0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
39 |
60 |
|
[SCN]F:59 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
3825 |
12.8 |
-0.4 |
0.694 |
0 |
0 |
0 |
0.003 |
40 |
61 |
|
[SCN]B:60 |
1 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
3900 |
12.3 |
-0.2 |
0.748 |
0 |
0 |
0 |
0.001 |
41 |
62 |
|
[SCN]H:59 |
1 |
1 |
182 |
◊ |
[SCN]A:59 |
x,y,z |
1_555 |
3 |
1 |
182 |
10.4 |
-0.5 |
0.703 |
0 |
0 |
0 |
0.004 |
42 |
63 |
|
[SCN]F:60 |
1 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3900 |
7.2 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
43 |
64 |
|
[SCN]H:59 |
1 |
1 |
182 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
3911 |
6.1 |
0.3 |
0.762 |
0 |
0 |
0 |
0.000 |
44 |
65 |
|
[SCN]I:60 |
1 |
1 |
180 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
3844 |
3.0 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
45 |
66 |
|
[SCN]I:60 |
1 |
1 |
180 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
3841 |
1.9 |
-0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
C |
2 |
2 |
3900 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
3918 |
0.9 |
0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
|