## |
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 |
|
D |
76 |
22 |
4981 |
◊ |
A |
x,y,z |
1_555 |
78 |
19 |
3469 |
786.7 |
-12.3 |
0.349 |
10 |
5 |
0 |
1.000 |
2 |
2 |
|
F |
76 |
22 |
5221 |
◊ |
C |
x,y,z |
1_555 |
80 |
20 |
3472 |
777.0 |
-9.7 |
0.472 |
10 |
5 |
0 |
0.865 |
3 |
3 |
|
D |
74 |
21 |
4981 |
◊ |
B |
x,y,z |
1_555 |
82 |
20 |
3472 |
738.6 |
-11.1 |
0.395 |
10 |
0 |
0 |
0.891 |
4 |
4 |
|
E |
76 |
25 |
4960 |
◊ |
C |
x,y,z |
1_555 |
81 |
20 |
3472 |
738.3 |
-10.4 |
0.407 |
11 |
0 |
0 |
0.909 |
5 |
5 |
|
F |
70 |
21 |
5221 |
◊ |
A |
x,y,z |
1_555 |
81 |
20 |
3469 |
733.5 |
-9.5 |
0.518 |
8 |
0 |
0 |
0.987 |
6 |
6 |
|
E |
70 |
21 |
4960 |
◊ |
B |
x,y,z |
1_555 |
67 |
18 |
3472 |
697.5 |
-11.0 |
0.324 |
6 |
3 |
0 |
0.934 |
7 |
7 |
|
E |
50 |
12 |
4960 |
◊ |
D |
-x+1,y,-z |
2_655 |
48 |
11 |
4981 |
412.8 |
-6.3 |
0.497 |
2 |
0 |
0 |
0.234 |
8 |
8 |
|
C |
36 |
13 |
3472 |
◊ |
B |
x,y,z |
1_555 |
39 |
15 |
3472 |
372.6 |
-10.2 |
0.061 |
0 |
0 |
0 |
0.951 |
9 |
|
C |
36 |
15 |
3472 |
◊ |
A |
x,y,z |
1_555 |
35 |
13 |
3469 |
368.4 |
-10.1 |
0.053 |
0 |
0 |
0 |
0.951 |
10 |
|
B |
35 |
13 |
3472 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
3469 |
365.9 |
-10.0 |
0.066 |
0 |
0 |
0 |
0.951 |
Average: |
369.0 |
-10.1 |
0.060 |
0 |
0 |
0 |
0.951 |
9 |
11 |
|
F |
50 |
11 |
5221 |
◊ |
D |
x,y,z |
1_555 |
34 |
10 |
4981 |
345.5 |
-6.0 |
0.363 |
2 |
0 |
0 |
0.224 |
10 |
12 |
|
F |
37 |
8 |
5221 |
◊ |
E |
x,y,z |
1_555 |
40 |
10 |
4960 |
323.5 |
-4.3 |
0.494 |
4 |
0 |
0 |
0.199 |
11 |
13 |
|
F |
33 |
7 |
5221 |
◊ |
F |
-x+1,y,-z |
2_655 |
33 |
7 |
5221 |
291.5 |
-6.0 |
0.382 |
0 |
0 |
0 |
0.098 |
12 |
14 |
|
E |
26 |
5 |
4960 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
34 |
8 |
3472 |
226.7 |
-1.0 |
0.795 |
2 |
0 |
0 |
0.029 |
13 |
15 |
|
F |
17 |
5 |
5221 |
◊ |
E |
-x+1,y,-z |
2_655 |
21 |
7 |
4960 |
159.1 |
-2.4 |
0.510 |
1 |
0 |
0 |
0.094 |
14 |
16 |
|
E |
14 |
6 |
4960 |
◊ |
E |
-x+1,y,-z |
2_655 |
15 |
6 |
4960 |
146.2 |
-4.1 |
0.134 |
0 |
0 |
0 |
0.067 |
15 |
17 |
|
E |
12 |
4 |
4960 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
15 |
3 |
4981 |
135.2 |
-1.1 |
0.609 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
F |
16 |
6 |
5221 |
x |
F |
x-1/2,y-1/2,z |
3_445 |
14 |
4 |
5221 |
132.3 |
-0.1 |
0.756 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
F |
11 |
4 |
5221 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
14 |
5 |
4960 |
129.9 |
0.8 |
0.805 |
1 |
3 |
0 |
0.000 |
18 |
20 |
|
D |
9 |
5 |
4981 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
8 |
5 |
4981 |
102.2 |
2.5 |
0.943 |
2 |
4 |
0 |
0.000 |
19 |
21 |
|
E |
11 |
4 |
4960 |
x |
E |
-x+1/2,y-1/2,-z |
4_545 |
7 |
4 |
4960 |
82.1 |
-2.1 |
0.308 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
D |
10 |
3 |
4981 |
◊ |
A |
-x,y,-z+1 |
2_556 |
10 |
3 |
3469 |
76.8 |
-0.6 |
0.624 |
1 |
0 |
0 |
0.016 |
21 |
23 |
|
F |
8 |
3 |
5221 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
3472 |
75.2 |
1.1 |
0.865 |
2 |
0 |
0 |
0.000 |
22 |
24 |
|
[ACE]C:913 |
3 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
4960 |
64.1 |
-1.1 |
0.685 |
0 |
0 |
0 |
0.066 |
23 |
25 |
|
[ACE]C:913 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
7 |
4 |
3472 |
63.8 |
-0.2 |
0.809 |
2 |
0 |
0 |
0.108 |
24 |
26 |
|
[ACE]B:913 |
3 |
1 |
170 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
3472 |
63.1 |
-0.3 |
0.819 |
2 |
0 |
0 |
0.113 |
25 |
27 |
|
F |
6 |
1 |
5221 |
◊ |
B |
-x,y,-z+1 |
2_556 |
10 |
3 |
3472 |
61.6 |
-0.0 |
0.673 |
2 |
0 |
0 |
0.014 |
26 |
28 |
|
C |
9 |
4 |
3472 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
10 |
3 |
5221 |
61.4 |
-1.4 |
0.478 |
0 |
0 |
0 |
0.023 |
27 |
29 |
|
C |
6 |
2 |
3472 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
7 |
3 |
5221 |
59.8 |
0.0 |
0.711 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[ACE]D:1147 |
3 |
1 |
171 |
◊ |
F |
-x,y,-z+1 |
2_556 |
11 |
4 |
5221 |
54.9 |
-1.1 |
0.654 |
0 |
0 |
0 |
0.017 |
29 |
31 |
|
F |
6 |
3 |
5221 |
x |
F |
x-1/2,y+1/2,z |
3_455 |
6 |
1 |
5221 |
51.0 |
-0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[ACE]F:1147 |
2 |
1 |
172 |
◊ |
B |
-x,y,-z+1 |
2_556 |
8 |
3 |
3472 |
50.0 |
-0.6 |
0.749 |
0 |
0 |
0 |
0.009 |
31 |
33 |
|
F |
6 |
3 |
5221 |
◊ |
D |
-x,y,-z+1 |
2_556 |
6 |
2 |
4981 |
50.0 |
-1.0 |
0.356 |
0 |
0 |
0 |
0.015 |
32 |
34 |
|
[NH2]D:1194 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
6 |
4 |
4981 |
49.8 |
0.8 |
0.816 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
A |
5 |
2 |
3469 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
6 |
2 |
4981 |
49.1 |
-0.8 |
0.508 |
0 |
0 |
0 |
0.013 |
34 |
36 |
|
F |
9 |
4 |
5221 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
3472 |
48.9 |
1.2 |
0.886 |
1 |
1 |
0 |
0.000 |
35 |
37 |
|
[ACE]F:1147 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
5221 |
48.6 |
-0.3 |
0.834 |
1 |
0 |
0 |
0.104 |
36 |
38 |
|
[NH2]C:950 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
3472 |
47.4 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
39 |
|
[NH2]A:950 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
5 |
4 |
3469 |
45.2 |
0.5 |
0.783 |
0 |
0 |
0 |
0.000 |
40 |
|
[NH2]B:950 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
3472 |
40.9 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[NH2]E:1194 |
1 |
1 |
117 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
10 |
4 |
3472 |
46.9 |
0.3 |
0.821 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
D |
3 |
1 |
4981 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
4981 |
46.3 |
0.8 |
0.857 |
1 |
2 |
0 |
0.000 |
39 |
43 |
|
C |
4 |
2 |
3472 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
3469 |
44.6 |
0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[NH2]E:1194 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
6 |
4 |
4960 |
44.4 |
0.5 |
0.780 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
E |
5 |
2 |
4960 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
4981 |
42.6 |
-1.4 |
0.206 |
0 |
0 |
0 |
0.044 |
42 |
46 |
|
E |
6 |
2 |
4960 |
◊ |
[NH2]D:1194 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
117 |
39.8 |
0.5 |
0.828 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
F |
3 |
1 |
5221 |
◊ |
D |
-x+1,y,-z |
2_655 |
3 |
2 |
4981 |
38.5 |
-1.2 |
0.223 |
0 |
0 |
0 |
0.040 |
44 |
48 |
|
C |
3 |
3 |
3472 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
4960 |
37.7 |
1.2 |
0.846 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[ACE]D:1147 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
4981 |
37.6 |
-0.1 |
0.834 |
1 |
0 |
0 |
0.034 |
46 |
50 |
|
[ACE]B:913 |
3 |
1 |
170 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
4981 |
37.5 |
-0.8 |
0.479 |
0 |
0 |
0 |
0.049 |
47 |
51 |
|
F |
7 |
4 |
5221 |
◊ |
[NH2]F:1194 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
117 |
36.8 |
0.5 |
0.836 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[NH2]F:1194 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
4 |
2 |
5221 |
36.3 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[NH2]A:950 |
1 |
1 |
117 |
◊ |
D |
-x,y,-z+1 |
2_556 |
6 |
2 |
4981 |
34.5 |
0.5 |
0.863 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
E |
7 |
3 |
4960 |
◊ |
C |
-x,y,-z+1 |
2_556 |
4 |
2 |
3472 |
33.5 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[ACE]B:913 |
2 |
1 |
170 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
5221 |
33.4 |
-0.2 |
0.747 |
0 |
0 |
0 |
0.003 |
52 |
56 |
|
F |
3 |
1 |
5221 |
◊ |
E |
-x,y,-z+1 |
2_556 |
6 |
3 |
4960 |
33.3 |
-0.1 |
0.523 |
0 |
0 |
0 |
0.001 |
53 |
57 |
|
A |
5 |
2 |
3469 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
4960 |
33.1 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
E |
4 |
2 |
4960 |
◊ |
E |
-x,y,-z+1 |
2_556 |
4 |
2 |
4960 |
32.3 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
C |
5 |
2 |
3472 |
◊ |
[NH2]F:1194 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
117 |
30.8 |
-0.2 |
0.648 |
0 |
0 |
0 |
0.002 |
56 |
60 |
|
[ACE]F:1147 |
2 |
1 |
172 |
◊ |
E |
-x,y,-z+1 |
2_556 |
4 |
2 |
4960 |
28.4 |
-0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[ACE]D:1147 |
2 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
3472 |
28.2 |
-0.5 |
0.792 |
0 |
0 |
0 |
0.028 |
58 |
62 |
|
[NH2]C:950 |
1 |
1 |
117 |
◊ |
E |
-x,y,-z+1 |
2_556 |
8 |
3 |
4960 |
25.6 |
0.5 |
0.866 |
0 |
0 |
0 |
0.000 |
59 |
63 |
|
[NH2]C:950 |
1 |
1 |
117 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
4960 |
24.8 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
60 |
64 |
|
[NH2]B:950 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
4981 |
22.7 |
0.3 |
0.853 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
D |
2 |
1 |
4981 |
◊ |
D |
-x,y,-z+1 |
2_556 |
2 |
1 |
4981 |
21.9 |
-0.7 |
0.198 |
0 |
0 |
0 |
0.005 |
62 |
66 |
|
[NH2]A:950 |
1 |
1 |
117 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
4981 |
20.6 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
63 |
67 |
|
[ACE]D:1147 |
2 |
1 |
171 |
◊ |
[NH2]B:950 |
x,y,z |
1_555 |
1 |
1 |
117 |
20.5 |
-0.0 |
0.943 |
0 |
0 |
0 |
0.000 |
64 |
68 |
|
A |
5 |
3 |
3469 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
3472 |
20.0 |
0.3 |
0.780 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
[ACE]C:913 |
1 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5221 |
18.4 |
-0.6 |
0.351 |
0 |
0 |
0 |
0.034 |
66 |
70 |
|
[NH2]B:950 |
1 |
1 |
117 |
◊ |
F |
-x,y,-z+1 |
2_556 |
6 |
3 |
5221 |
17.4 |
0.2 |
0.849 |
0 |
0 |
0 |
0.000 |
67 |
71 |
|
[ACE]D:1147 |
2 |
1 |
171 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
2 |
3469 |
17.4 |
0.1 |
0.812 |
0 |
0 |
0 |
0.000 |
68 |
72 |
|
D |
3 |
1 |
4981 |
◊ |
C |
-x,y,-z+1 |
2_556 |
1 |
1 |
3472 |
15.5 |
-0.5 |
0.273 |
0 |
0 |
0 |
0.007 |
69 |
73 |
|
[ACE]B:913 |
1 |
1 |
170 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
4960 |
14.3 |
-0.5 |
0.530 |
0 |
0 |
0 |
0.030 |
70 |
74 |
|
C |
2 |
1 |
3472 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
4981 |
12.7 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
71 |
75 |
|
[ACE]F:1147 |
2 |
1 |
172 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
3469 |
11.9 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.005 |
72 |
76 |
|
[ACE]F:1147 |
1 |
1 |
172 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
5221 |
11.0 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
73 |
77 |
|
D |
1 |
1 |
4981 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
3469 |
10.6 |
0.6 |
0.896 |
0 |
0 |
0 |
0.000 |
74 |
78 |
|
[ACE]D:1147 |
2 |
1 |
171 |
◊ |
C |
-x,y,-z+1 |
2_556 |
2 |
2 |
3472 |
6.3 |
-0.2 |
0.652 |
0 |
0 |
0 |
0.003 |
75 |
79 |
|
[ACE]F:1147 |
2 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3472 |
6.3 |
0.0 |
0.854 |
0 |
0 |
0 |
0.000 |
76 |
80 |
|
D |
1 |
1 |
4981 |
◊ |
C |
-x+1,y,-z |
2_655 |
1 |
1 |
3472 |
5.4 |
-0.2 |
0.409 |
0 |
0 |
0 |
0.002 |
77 |
81 |
|
[NH2]C:950 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5221 |
3.8 |
-0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
78 |
82 |
|
E |
1 |
1 |
4960 |
◊ |
A |
-x+1,y,-z |
2_655 |
1 |
1 |
3469 |
3.3 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.002 |
79 |
83 |
|
D |
1 |
1 |
4981 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3472 |
2.1 |
-0.1 |
0.478 |
0 |
0 |
0 |
0.001 |
80 |
84 |
|
B |
1 |
1 |
3472 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
4981 |
1.7 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
81 |
85 |
|
E |
1 |
1 |
4960 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
3469 |
0.5 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
82 |
86 |
|
A |
1 |
1 |
3469 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
4981 |
0.5 |
0.0 |
0.728 |
0 |
0 |
0 |
0.000 |
83 |
87 |
|
B |
1 |
1 |
3472 |
◊ |
[NH2]D:1194 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
117 |
0.4 |
0.0 |
0.880 |
0 |
0 |
0 |
0.000 |
|