## |
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 |
70 |
24 |
2802 |
◊ |
B |
x,y,z |
1_555 |
81 |
24 |
2758 |
674.5 |
-6.9 |
0.972 |
7 |
1 |
0 |
0.856 |
2 |
2 |
|
C |
82 |
24 |
2802 |
◊ |
A |
x,y,z |
1_555 |
69 |
22 |
2790 |
660.4 |
-5.5 |
0.981 |
8 |
1 |
0 |
0.840 |
3 |
3 |
|
B |
67 |
23 |
2758 |
◊ |
A |
x,y,z |
1_555 |
76 |
24 |
2790 |
656.0 |
-6.0 |
0.987 |
7 |
1 |
0 |
0.880 |
4 |
4 |
|
A |
15 |
7 |
2790 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
7 |
2758 |
131.0 |
-2.4 |
0.845 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
C |
15 |
6 |
2802 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
6 |
2802 |
123.5 |
-2.3 |
0.822 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
B |
13 |
5 |
2758 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
5 |
2790 |
96.2 |
-2.3 |
0.736 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
9 |
3 |
2758 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
2790 |
93.9 |
-1.8 |
0.713 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
14 |
5 |
2790 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
2802 |
93.3 |
-2.0 |
0.761 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
C |
11 |
4 |
2802 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
11 |
3 |
2790 |
92.8 |
-2.6 |
0.633 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
A |
12 |
5 |
2790 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
4 |
2802 |
84.9 |
-2.6 |
0.616 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
C |
6 |
2 |
2802 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
3 |
2758 |
65.8 |
-0.2 |
0.891 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
A |
7 |
2 |
2790 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
4 |
2758 |
62.4 |
0.0 |
0.922 |
0 |
1 |
0 |
0.000 |
13 |
13 |
|
A |
7 |
3 |
2790 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
3 |
2802 |
60.2 |
-1.3 |
0.774 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
B |
10 |
5 |
2758 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
3 |
2802 |
52.7 |
-1.3 |
0.787 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
B |
6 |
3 |
2758 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
2758 |
50.2 |
-1.3 |
0.651 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[ACE]A:0 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
2790 |
47.1 |
-0.6 |
0.796 |
0 |
0 |
0 |
0.098 |
17 |
17 |
|
A |
4 |
2 |
2790 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
2758 |
46.5 |
-1.1 |
0.554 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
C |
9 |
3 |
2802 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
7 |
3 |
2802 |
44.5 |
-0.5 |
0.866 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
B |
4 |
2 |
2758 |
◊ |
A |
-x,y,-z+1 |
2_556 |
3 |
1 |
2790 |
43.0 |
-1.1 |
0.525 |
0 |
0 |
0 |
0.000 |
20 |
20 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
2758 |
39.0 |
-0.5 |
0.811 |
0 |
0 |
0 |
0.049 |
21 |
21 |
|
[NH2]B:25 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
3 |
1 |
2758 |
37.6 |
0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
22 |
22 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
2790 |
36.1 |
-0.5 |
0.806 |
0 |
0 |
0 |
0.044 |
23 |
23 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
2802 |
36.0 |
-0.5 |
0.799 |
1 |
0 |
0 |
0.100 |
24 |
24 |
|
[NH2]C:25 |
1 |
1 |
117 |
c |
C |
x,y,z |
1_555 |
4 |
2 |
2802 |
35.9 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
25 |
25 |
|
B |
3 |
1 |
2758 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
2758 |
34.7 |
-0.7 |
0.541 |
0 |
0 |
0 |
0.000 |
26 |
26 |
|
[NH2]B:25 |
1 |
1 |
117 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
2758 |
33.6 |
-0.0 |
0.840 |
0 |
0 |
0 |
0.000 |
27 |
27 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
C |
x-1/2,y-1/2,z+1 |
3_446 |
5 |
2 |
2802 |
32.2 |
-0.8 |
0.774 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
B |
3 |
1 |
2758 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
6 |
3 |
2790 |
31.8 |
-0.6 |
0.755 |
0 |
0 |
0 |
0.000 |
29 |
29 |
|
B |
5 |
1 |
2758 |
◊ |
C |
x-1/2,y-1/2,z+1 |
3_446 |
6 |
2 |
2802 |
31.7 |
-0.6 |
0.764 |
0 |
0 |
0 |
0.000 |
30 |
30 |
|
[NH2]A:25 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
4 |
2 |
2790 |
31.6 |
-0.0 |
0.741 |
0 |
0 |
0 |
0.002 |
31 |
|
[NH2]C:25 |
1 |
1 |
117 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
2758 |
22.0 |
0.0 |
0.832 |
0 |
0 |
0 |
0.002 |
Average: |
26.8 |
0.0 |
0.787 |
0 |
0 |
0 |
0.002 |
31 |
32 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
B |
x-1/2,y+1/2,z+1 |
3_456 |
5 |
2 |
2758 |
31.5 |
-0.9 |
0.693 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[NH2]A:25 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
2802 |
29.9 |
0.3 |
0.960 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
A |
4 |
1 |
2790 |
◊ |
B |
x-1/2,y+1/2,z+1 |
3_456 |
4 |
2 |
2758 |
27.0 |
-0.6 |
0.666 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[ACE]B:0 |
2 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
2790 |
26.6 |
-0.3 |
0.902 |
0 |
0 |
0 |
0.030 |
35 |
36 |
|
[ACE]B:0 |
2 |
1 |
171 |
◊ |
C |
-x,y,-z+2 |
2_557 |
5 |
2 |
2802 |
25.1 |
-0.5 |
0.748 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[ACE]C:0 |
2 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
2758 |
24.9 |
-0.3 |
0.912 |
0 |
0 |
0 |
0.023 |
37 |
38 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
C |
-x,y,-z+2 |
2_557 |
5 |
2 |
2802 |
24.3 |
-0.6 |
0.752 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
C |
5 |
1 |
2802 |
◊ |
C |
-x,y,-z+2 |
2_557 |
5 |
1 |
2802 |
24.3 |
-0.5 |
0.711 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
A |
3 |
1 |
2790 |
◊ |
C |
x-1/2,y+1/2,z+1 |
3_456 |
3 |
2 |
2802 |
23.7 |
-0.7 |
0.566 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
C |
2 |
1 |
2802 |
x |
C |
x,y-1,z |
1_545 |
2 |
1 |
2802 |
23.4 |
-0.7 |
0.417 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
[NH2]A:25 |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
117 |
22.3 |
-0.1 |
0.943 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
C |
5 |
2 |
2802 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
2 |
2790 |
22.2 |
-0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[ACE]C:0 |
3 |
1 |
171 |
◊ |
[ACE]C:0 |
-x,y,-z+2 |
2_557 |
3 |
1 |
171 |
21.6 |
-0.4 |
0.852 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
A |
3 |
1 |
2790 |
◊ |
[NH2]C:25 |
x-1/2,y+1/2,z+1 |
3_456 |
1 |
1 |
117 |
21.4 |
-0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
[ACE]B:0 |
x,y,z |
1_555 |
3 |
1 |
171 |
21.2 |
-0.5 |
0.801 |
0 |
0 |
0 |
0.041 |
46 |
47 |
|
A |
1 |
1 |
2790 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
2790 |
21.0 |
-0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
A |
x-1/2,y-1/2,z+1 |
3_446 |
2 |
1 |
2790 |
19.9 |
-0.4 |
0.717 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
B |
4 |
1 |
2758 |
◊ |
[NH2]A:25 |
x,y-1,z |
1_545 |
1 |
1 |
117 |
17.9 |
-0.1 |
0.846 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2758 |
15.7 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.012 |
50 |
51 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2802 |
15.2 |
-0.1 |
0.671 |
0 |
0 |
0 |
0.009 |
51 |
52 |
|
[NH2]C:25 |
1 |
1 |
117 |
f |
[NH2]B:25 |
x,y,z |
1_555 |
1 |
1 |
117 |
15.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[ACE]B:0 |
1 |
1 |
171 |
◊ |
[ACE]A:0 |
x,y,z |
1_555 |
3 |
1 |
171 |
15.0 |
-0.3 |
0.801 |
0 |
0 |
0 |
0.029 |
53 |
54 |
|
[ACE]A:0 |
2 |
1 |
171 |
◊ |
C |
x-1/2,y-1/2,z+1 |
3_446 |
4 |
2 |
2802 |
10.7 |
0.0 |
0.875 |
0 |
0 |
0 |
0.000 |
54 |
55 |
|
B |
3 |
2 |
2758 |
◊ |
B |
-x,y,-z+1 |
2_556 |
3 |
2 |
2758 |
10.6 |
-0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
C |
3 |
2 |
2802 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
2758 |
10.2 |
-0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
C |
3 |
2 |
2802 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
2790 |
8.9 |
-0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
B |
4 |
2 |
2758 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
3 |
2802 |
8.3 |
-0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[NH2]B:25 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2802 |
7.6 |
-0.0 |
0.686 |
0 |
0 |
0 |
0.001 |
59 |
60 |
|
B |
2 |
1 |
2758 |
◊ |
[NH2]C:25 |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
117 |
7.5 |
-0.0 |
0.824 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
1 |
1 |
2758 |
◊ |
[NH2]A:25 |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
117 |
0.9 |
-0.0 |
0.789 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
-0.0 |
0.806 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
A |
2 |
1 |
2790 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
2790 |
6.9 |
0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
A |
2 |
1 |
2790 |
◊ |
[NH2]A:25 |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
117 |
6.8 |
0.1 |
0.899 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
[ACE]B:0 |
1 |
1 |
171 |
◊ |
[NH2]A:25 |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
117 |
6.3 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
A |
2 |
1 |
2790 |
◊ |
[NH2]B:25 |
x-1/2,y+1/2,z+1 |
3_456 |
1 |
1 |
117 |
4.7 |
-0.0 |
0.848 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
A |
2 |
2 |
2790 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
2 |
2790 |
4.6 |
-0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[NH2]C:25 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2790 |
4.1 |
0.1 |
0.890 |
0 |
0 |
0 |
0.000 |
66 |
68 |
|
C |
1 |
1 |
2802 |
◊ |
B |
-x,y,-z+2 |
2_557 |
1 |
1 |
2758 |
3.9 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
B |
2 |
1 |
2758 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
2802 |
3.9 |
-0.1 |
0.721 |
0 |
0 |
0 |
0.000 |
68 |
70 |
|
[ACE]A:0 |
1 |
1 |
171 |
◊ |
C |
-x,y,-z+2 |
2_557 |
2 |
1 |
2802 |
3.0 |
-0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
69 |
71 |
|
[ACE]B:0 |
1 |
1 |
171 |
◊ |
A |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
2790 |
2.4 |
-0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
70 |
72 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
C |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
2802 |
1.8 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
71 |
73 |
|
[ACE]A:0 |
1 |
1 |
171 |
◊ |
[NH2]B:25 |
x-1/2,y+1/2,z+1 |
3_456 |
1 |
1 |
117 |
1.5 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
72 |
74 |
|
A |
1 |
1 |
2790 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
2790 |
0.7 |
-0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
73 |
75 |
|
A |
1 |
1 |
2790 |
x |
A |
x-1/2,y-1/2,z+1 |
3_446 |
1 |
1 |
2790 |
0.7 |
-0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
74 |
76 |
|
C |
1 |
1 |
2802 |
◊ |
[NH2]A:25 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
117 |
0.6 |
-0.0 |
0.800 |
0 |
0 |
0 |
0.000 |
75 |
77 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
[ACE]B:0 |
-x,y,-z+2 |
2_557 |
1 |
1 |
171 |
0.3 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|