## |
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 |
66 |
23 |
13714 |
◊ |
B |
x,y,z |
1_555 |
66 |
22 |
13814 |
623.7 |
-16.9 |
0.001 |
0 |
0 |
0 |
0.000 |
2 |
|
D |
65 |
23 |
14005 |
◊ |
A |
x,y,z |
1_555 |
61 |
20 |
14042 |
591.6 |
-15.4 |
0.003 |
0 |
0 |
0 |
0.000 |
Average: |
607.7 |
-16.2 |
0.002 |
0 |
0 |
0 |
0.000 |
2 |
3 |
|
C |
51 |
17 |
13714 |
◊ |
A |
x,y,z |
1_555 |
47 |
18 |
14042 |
398.0 |
3.2 |
0.937 |
9 |
6 |
0 |
0.000 |
3 |
4 |
|
B |
37 |
17 |
13814 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
36 |
17 |
13714 |
329.1 |
-5.5 |
0.155 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
36 |
13 |
14005 |
◊ |
C |
y,x,-z+1 |
4_556 |
34 |
10 |
13714 |
312.9 |
-2.5 |
0.374 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
D |
32 |
11 |
14005 |
◊ |
B |
x,y,z |
1_555 |
37 |
18 |
13814 |
275.6 |
3.8 |
0.945 |
4 |
6 |
0 |
0.000 |
6 |
7 |
|
C |
32 |
15 |
13714 |
◊ |
C |
y,x,-z+1 |
4_556 |
31 |
14 |
13714 |
247.9 |
-2.6 |
0.400 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
C |
23 |
4 |
13714 |
◊ |
B |
y,x,-z+1 |
4_556 |
26 |
11 |
13814 |
189.3 |
-2.8 |
0.302 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
C |
24 |
11 |
13714 |
◊ |
A |
y,x,-z+1 |
4_556 |
24 |
10 |
14042 |
158.6 |
-0.7 |
0.626 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[ACT]B:403 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
13814 |
110.0 |
-0.5 |
0.715 |
0 |
0 |
0 |
0.002 |
10 |
11 |
|
[ACT]C:405 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
13714 |
107.8 |
-1.5 |
0.555 |
0 |
0 |
0 |
0.003 |
11 |
12 |
|
[ACT]A:406 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
14042 |
105.9 |
-1.2 |
0.581 |
0 |
0 |
0 |
0.004 |
12 |
13 |
|
[ACT]A:405 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
14042 |
96.9 |
-0.9 |
0.633 |
1 |
0 |
0 |
0.004 |
13 |
14 |
|
[ACT]C:404 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
13714 |
94.1 |
-0.9 |
0.643 |
1 |
0 |
0 |
0.002 |
14 |
15 |
|
[ACT]C:416 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
13714 |
92.4 |
-0.5 |
0.669 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[ACT]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14042 |
89.9 |
-0.6 |
0.687 |
1 |
0 |
0 |
0.003 |
16 |
17 |
|
[ACT]C:406 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
13714 |
88.5 |
-0.6 |
0.697 |
1 |
0 |
0 |
0.002 |
17 |
18 |
|
[ACT]B:404 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13814 |
87.6 |
-0.3 |
0.703 |
0 |
0 |
0 |
0.001 |
18 |
19 |
|
[ACT]C:408 |
4 |
1 |
184 |
f |
C |
y,x,-z+1 |
4_556 |
14 |
8 |
13714 |
86.8 |
-1.2 |
0.502 |
0 |
0 |
0 |
0.002 |
19 |
20 |
|
[ACT]B:405 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13814 |
86.6 |
-0.0 |
0.786 |
1 |
0 |
0 |
0.001 |
20 |
21 |
|
[ACT]C:414 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
13714 |
85.0 |
-0.6 |
0.661 |
1 |
0 |
0 |
0.002 |
21 |
22 |
|
[ACT]C:417 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13714 |
84.2 |
0.2 |
0.778 |
2 |
0 |
0 |
0.001 |
22 |
23 |
|
B |
7 |
5 |
13814 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14042 |
83.3 |
-1.1 |
0.303 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[ACT]C:411 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
13714 |
82.5 |
-0.9 |
0.634 |
0 |
0 |
0 |
0.002 |
24 |
25 |
|
[ACT]B:409 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13814 |
79.8 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[ACT]C:415 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
13714 |
78.7 |
-1.3 |
0.570 |
0 |
0 |
0 |
0.003 |
26 |
27 |
|
[ACT]B:408 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
13814 |
77.6 |
-0.7 |
0.486 |
0 |
0 |
0 |
0.002 |
27 |
28 |
|
[ACT]A:403 |
3 |
1 |
183 |
f |
C |
y,x,-z+1 |
4_556 |
13 |
6 |
13714 |
76.5 |
-0.9 |
0.606 |
0 |
0 |
0 |
0.002 |
28 |
29 |
|
[ACT]C:410 |
4 |
1 |
184 |
f |
C |
y,x,-z+1 |
4_556 |
10 |
4 |
13714 |
74.7 |
0.4 |
0.763 |
2 |
0 |
0 |
0.000 |
29 |
30 |
|
[ACT]C:412 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
13714 |
74.0 |
-0.9 |
0.579 |
0 |
0 |
0 |
0.002 |
30 |
31 |
|
[ACT]C:407 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
13714 |
72.0 |
-0.9 |
0.541 |
0 |
0 |
0 |
0.002 |
31 |
32 |
|
[ACT]B:411 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13814 |
71.9 |
-1.5 |
0.447 |
0 |
0 |
0 |
0.005 |
32 |
33 |
|
[ACT]B:410 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13814 |
65.9 |
0.4 |
0.768 |
2 |
0 |
0 |
0.001 |
33 |
34 |
|
[ACT]A:404 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
13714 |
65.2 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[ACT]C:409 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
13714 |
64.2 |
0.1 |
0.768 |
2 |
0 |
0 |
0.002 |
35 |
36 |
|
[ACT]D:402 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14042 |
63.6 |
-1.1 |
0.383 |
0 |
0 |
0 |
0.003 |
36 |
37 |
|
B |
6 |
4 |
13814 |
◊ |
A |
-y+1,x-y,z-1/3 |
2_654 |
10 |
4 |
14042 |
63.3 |
-0.6 |
0.498 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[ACT]D:402 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
14005 |
63.0 |
-0.3 |
0.676 |
1 |
0 |
0 |
0.000 |
38 |
39 |
|
[ACT]C:413 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
13714 |
62.5 |
0.8 |
0.851 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
[ACT]C:418 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
3 |
13714 |
61.3 |
-0.7 |
0.584 |
0 |
0 |
0 |
0.001 |
40 |
41 |
|
[ACT]B:406 |
4 |
1 |
182 |
◊ |
C |
y,x,-z+1 |
4_556 |
9 |
3 |
13714 |
59.5 |
-0.4 |
0.638 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[ACT]C:409 |
4 |
1 |
183 |
◊ |
B |
y,x,-z+1 |
4_556 |
8 |
4 |
13814 |
54.1 |
-0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[ACT]C:408 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
13714 |
53.7 |
-0.1 |
0.690 |
1 |
0 |
0 |
0.000 |
43 |
44 |
|
[ACT]B:407 |
4 |
1 |
183 |
◊ |
C |
y,x,-z+1 |
4_556 |
8 |
4 |
13714 |
53.0 |
0.9 |
0.824 |
2 |
0 |
0 |
0.000 |
44 |
45 |
|
[ACT]C:413 |
4 |
1 |
183 |
f |
B |
y,x,-z+1 |
4_556 |
6 |
2 |
13814 |
51.5 |
-0.4 |
0.563 |
0 |
0 |
0 |
0.001 |
45 |
46 |
|
[ACT]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14042 |
50.2 |
0.8 |
0.824 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[ACT]B:407 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
1 |
13814 |
49.3 |
-1.1 |
0.473 |
0 |
0 |
0 |
0.003 |
47 |
48 |
|
[ACT]C:407 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
13814 |
47.2 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[ACT]A:404 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14042 |
46.8 |
-0.6 |
0.639 |
0 |
0 |
0 |
0.002 |
49 |
50 |
|
[CA]C:401 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
13714 |
44.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.041 |
51 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
14042 |
43.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.041 |
52 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
13814 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.041 |
50 |
53 |
|
[CA]D:401 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
14005 |
43.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.100 |
54 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
13714 |
43.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.100 |
55 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
14042 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.100 |
56 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
13814 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.100 |
51 |
57 |
|
[ACT]C:410 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
13714 |
43.5 |
-0.4 |
0.681 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
A |
6 |
4 |
14042 |
◊ |
A |
-x+2,-x+y+1,-z+2/3 |
6_765 |
6 |
4 |
14042 |
37.9 |
-0.7 |
0.392 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13714 |
37.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.015 |
54 |
60 |
|
[ACT]B:405 |
1 |
1 |
183 |
f |
[ACT]B:404 |
x,y,z |
1_555 |
3 |
1 |
183 |
35.4 |
-0.4 |
0.468 |
0 |
0 |
0 |
0.001 |
55 |
61 |
|
[ACT]B:406 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13814 |
33.4 |
-0.7 |
0.472 |
0 |
0 |
0 |
0.002 |
56 |
62 |
|
[ACT]C:412 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13814 |
33.1 |
-0.7 |
0.160 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
[ACT]C:414 |
2 |
1 |
184 |
f |
[ACT]C:405 |
x,y,z |
1_555 |
4 |
1 |
183 |
30.2 |
-0.4 |
0.637 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[ACT]A:407 |
1 |
1 |
184 |
f |
[ACT]A:405 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.7 |
-0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[ACT]C:406 |
1 |
1 |
184 |
f |
[ACT]C:404 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.4 |
-0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[ACT]C:410 |
4 |
1 |
184 |
◊ |
[ACT]C:408 |
y,x,-z+1 |
4_556 |
2 |
1 |
184 |
22.8 |
0.0 |
0.734 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[ACT]C:406 |
2 |
1 |
184 |
f |
[CA]C:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
19.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.006 |
62 |
68 |
|
[ACT]C:407 |
3 |
1 |
184 |
◊ |
[ACT]B:403 |
x,y,z |
1_555 |
3 |
1 |
184 |
17.9 |
-0.3 |
0.688 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[ACT]B:410 |
3 |
1 |
183 |
f |
[ACT]B:405 |
x,y,z |
1_555 |
4 |
1 |
183 |
15.9 |
-0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[ACT]C:404 |
1 |
1 |
183 |
f |
[CA]C:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
15.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.004 |
65 |
71 |
|
[ACT]D:402 |
3 |
1 |
183 |
f |
[ACT]A:406 |
x,y,z |
1_555 |
3 |
1 |
183 |
12.8 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
66 |
72 |
|
[ACT]C:414 |
2 |
1 |
184 |
f |
[ACT]C:411 |
x,y,z |
1_555 |
4 |
1 |
183 |
11.3 |
-0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
[ACT]C:413 |
1 |
1 |
183 |
◊ |
C |
y,x,-z+1 |
4_556 |
4 |
2 |
13714 |
10.8 |
-0.3 |
0.489 |
0 |
0 |
0 |
0.000 |
68 |
74 |
|
[ACT]C:413 |
1 |
1 |
183 |
◊ |
[ACT]C:410 |
y,x,-z+1 |
4_556 |
1 |
1 |
184 |
1.9 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
|