## |
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 |
174 |
42 |
6429 |
◊ |
C |
x,y,z |
1_555 |
184 |
43 |
6472 |
1742.3 |
-22.7 |
0.418 |
33 |
8 |
0 |
0.888 |
2 |
|
B |
181 |
43 |
6437 |
◊ |
A |
x,y,z |
1_555 |
173 |
42 |
6578 |
1711.7 |
-23.5 |
0.320 |
30 |
7 |
0 |
0.888 |
Average: |
1727.0 |
-23.1 |
0.369 |
32 |
8 |
0 |
0.888 |
2 |
3 |
|
P |
50 |
9 |
1242 |
◊ |
A |
x,y,z |
1_555 |
56 |
19 |
6578 |
459.4 |
-4.3 |
0.788 |
8 |
0 |
0 |
0.824 |
4 |
|
S |
49 |
8 |
1117 |
◊ |
C |
x,y,z |
1_555 |
60 |
20 |
6472 |
459.2 |
-5.2 |
0.758 |
9 |
0 |
0 |
0.824 |
Average: |
459.3 |
-4.8 |
0.773 |
9 |
0 |
0 |
0.824 |
3 |
5 |
|
P |
48 |
9 |
1242 |
◊ |
B |
x,y,z |
1_555 |
50 |
18 |
6437 |
450.6 |
-4.8 |
0.724 |
6 |
0 |
0 |
0.799 |
6 |
|
S |
42 |
8 |
1117 |
◊ |
D |
x,y,z |
1_555 |
49 |
18 |
6429 |
400.9 |
-4.3 |
0.732 |
7 |
0 |
0 |
0.799 |
Average: |
425.7 |
-4.5 |
0.728 |
7 |
0 |
0 |
0.799 |
4 |
7 |
|
D |
44 |
15 |
6429 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
37 |
14 |
6578 |
410.7 |
-4.9 |
0.507 |
2 |
0 |
0 |
0.041 |
5 |
8 |
|
C |
36 |
9 |
6472 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
29 |
9 |
6437 |
280.0 |
-3.3 |
0.531 |
0 |
0 |
0 |
0.023 |
6 |
9 |
|
C |
35 |
11 |
6472 |
◊ |
C |
-x+1,-y,z |
2_655 |
35 |
11 |
6472 |
274.4 |
-0.9 |
0.820 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
D |
26 |
7 |
6429 |
◊ |
B |
x-1/2,-y+1/2,-z+3/2 |
8_456 |
22 |
4 |
6437 |
207.5 |
-3.0 |
0.414 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
24 |
6 |
6472 |
◊ |
B |
x,y,z |
1_555 |
24 |
5 |
6437 |
197.3 |
-2.3 |
0.558 |
1 |
2 |
0 |
0.040 |
12 |
|
D |
20 |
5 |
6429 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
6578 |
183.8 |
-2.4 |
0.515 |
0 |
1 |
0 |
0.040 |
Average: |
190.5 |
-2.4 |
0.537 |
1 |
2 |
0 |
0.040 |
9 |
13 |
|
B |
21 |
7 |
6437 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
21 |
7 |
6437 |
192.0 |
-1.3 |
0.659 |
3 |
6 |
0 |
0.012 |
10 |
14 |
|
C |
19 |
6 |
6472 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
6578 |
132.5 |
-3.1 |
0.377 |
0 |
0 |
0 |
0.022 |
11 |
15 |
|
C |
15 |
4 |
6472 |
◊ |
A |
x-1/2,-y+1/2,-z+3/2 |
8_456 |
16 |
4 |
6578 |
107.6 |
-2.3 |
0.429 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
D |
11 |
1 |
6429 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
13 |
6 |
6437 |
107.3 |
-2.8 |
0.246 |
0 |
0 |
0 |
0.020 |
13 |
17 |
|
A |
11 |
4 |
6578 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
10 |
4 |
6578 |
103.6 |
1.2 |
0.876 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
S |
10 |
3 |
1117 |
◊ |
P |
x,y,z |
1_555 |
10 |
3 |
1242 |
98.6 |
-0.0 |
0.871 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[ACT]A:506 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
6578 |
86.7 |
-1.2 |
0.517 |
1 |
0 |
0 |
0.155 |
16 |
20 |
|
[ACT]C:516 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
6472 |
86.6 |
-1.1 |
0.532 |
2 |
0 |
0 |
0.176 |
17 |
21 |
|
B |
12 |
5 |
6437 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
12 |
5 |
6437 |
85.4 |
0.6 |
0.826 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[ACT]D:518 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
6429 |
80.0 |
-0.1 |
0.680 |
1 |
0 |
0 |
0.058 |
19 |
23 |
|
B |
11 |
1 |
6437 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
13 |
6 |
6578 |
76.5 |
-1.4 |
0.477 |
0 |
0 |
0 |
0.010 |
20 |
24 |
|
[ACT]A:504 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6578 |
68.1 |
-0.7 |
0.598 |
0 |
0 |
0 |
0.062 |
21 |
25 |
|
[ACT]A:512 |
4 |
1 |
187 |
f |
D |
-x+1,-y+1,z |
2_665 |
8 |
3 |
6429 |
67.4 |
-1.1 |
0.480 |
1 |
0 |
0 |
0.151 |
22 |
26 |
|
[ACT]B:522 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
6429 |
65.6 |
-1.0 |
0.489 |
0 |
0 |
0 |
0.102 |
23 |
27 |
|
[ACT]B:502 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6437 |
64.0 |
-0.1 |
0.691 |
1 |
0 |
0 |
0.004 |
24 |
28 |
|
P |
7 |
3 |
1242 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
6429 |
63.3 |
-1.0 |
0.560 |
0 |
0 |
0 |
0.014 |
29 |
|
S |
6 |
3 |
1117 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6437 |
59.1 |
-1.0 |
0.469 |
0 |
0 |
0 |
0.014 |
Average: |
61.2 |
-1.0 |
0.515 |
0 |
0 |
0 |
0.014 |
25 |
30 |
|
C |
4 |
1 |
6472 |
◊ |
B |
x-1/2,-y+1/2,-z+3/2 |
8_456 |
11 |
5 |
6437 |
60.2 |
-1.7 |
0.217 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[ACT]B:501 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
6437 |
53.9 |
-0.2 |
0.635 |
0 |
0 |
0 |
0.023 |
27 |
32 |
|
[ACT]B:502 |
4 |
1 |
187 |
f |
B |
-x+1,y,-z+1 |
3_656 |
6 |
2 |
6437 |
48.7 |
-0.8 |
0.554 |
0 |
0 |
0 |
0.083 |
28 |
33 |
|
B |
8 |
4 |
6437 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
11 |
4 |
6578 |
48.2 |
-0.6 |
0.627 |
0 |
0 |
0 |
0.004 |
29 |
34 |
|
[ACT]C:524 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
6429 |
46.4 |
0.8 |
0.720 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[ACT]C:524 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6472 |
45.4 |
0.4 |
0.733 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[ACT]A:512 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6578 |
44.0 |
1.3 |
0.889 |
1 |
0 |
0 |
0.000 |
32 |
37 |
|
[ACT]C:516 |
4 |
1 |
186 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
6 |
2 |
6437 |
43.8 |
-0.2 |
0.527 |
0 |
0 |
0 |
0.001 |
33 |
38 |
|
[ACT]D:511 |
3 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
6429 |
41.7 |
0.4 |
0.702 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[ACT]D:523 |
3 |
1 |
188 |
f |
[ACT]C:524 |
x,y,z |
1_555 |
3 |
1 |
187 |
38.0 |
-0.6 |
0.558 |
0 |
0 |
0 |
0.069 |
35 |
40 |
|
B |
5 |
4 |
6437 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
5 |
4 |
6437 |
37.7 |
-0.5 |
0.522 |
0 |
0 |
0 |
0.002 |
36 |
41 |
|
[ACT]D:523 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6437 |
37.0 |
-0.1 |
0.666 |
1 |
0 |
0 |
0.054 |
37 |
42 |
|
[ACT]A:521 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6437 |
36.8 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[ACT]A:521 |
3 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6578 |
35.4 |
-0.3 |
0.612 |
0 |
0 |
0 |
0.031 |
39 |
44 |
|
[ACT]D:523 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6429 |
35.4 |
0.9 |
0.817 |
2 |
0 |
0 |
0.000 |
40 |
45 |
|
[ACT]B:522 |
3 |
1 |
187 |
◊ |
[ACT]A:521 |
x,y,z |
1_555 |
3 |
1 |
187 |
29.4 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
C |
3 |
1 |
6472 |
◊ |
P |
x-1/2,-y+1/2,-z+3/2 |
8_456 |
1 |
1 |
1242 |
24.6 |
-0.8 |
0.232 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[ACT]A:504 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6437 |
24.4 |
-0.1 |
0.658 |
0 |
0 |
0 |
0.001 |
43 |
48 |
|
[ACT]B:522 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6437 |
24.3 |
0.7 |
0.678 |
1 |
0 |
0 |
0.000 |
44 |
49 |
|
[ACT]B:501 |
2 |
1 |
185 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
2 |
1 |
6578 |
23.8 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[ACT]D:523 |
1 |
1 |
188 |
◊ |
[ACT]B:522 |
x,y,z |
1_555 |
2 |
1 |
187 |
22.2 |
0.2 |
0.612 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[ACT]A:512 |
1 |
1 |
187 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
4 |
1 |
6472 |
20.2 |
-0.2 |
0.622 |
0 |
0 |
0 |
0.005 |
47 |
52 |
|
[ACT]D:523 |
1 |
1 |
188 |
◊ |
S |
x,y,z |
1_555 |
3 |
2 |
1117 |
19.8 |
0.5 |
0.796 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[ACT]B:502 |
1 |
1 |
187 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
2 |
6578 |
14.5 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
A |
3 |
1 |
6578 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
3 |
1 |
6578 |
13.9 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
S |
3 |
2 |
1117 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6578 |
12.3 |
-0.2 |
0.569 |
0 |
0 |
0 |
0.003 |
56 |
|
P |
2 |
1 |
1242 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6472 |
10.3 |
-0.2 |
0.496 |
0 |
0 |
0 |
0.003 |
Average: |
11.3 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.003 |
51 |
57 |
|
[ACT]A:521 |
1 |
1 |
187 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
1 |
6578 |
12.1 |
0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[ACT]B:522 |
3 |
1 |
187 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
2 |
1 |
6578 |
10.7 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[ACT]D:523 |
1 |
1 |
188 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
1242 |
10.0 |
0.3 |
0.628 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[ACT]C:524 |
3 |
1 |
187 |
◊ |
B |
-x+1,y,-z+1 |
3_656 |
1 |
1 |
6437 |
8.8 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[ACT]B:502 |
1 |
1 |
187 |
◊ |
A |
-x+1,y,-z+1 |
3_656 |
1 |
1 |
6578 |
6.6 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[ACT]B:522 |
3 |
1 |
187 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
1242 |
6.5 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
[ACT]A:506 |
1 |
1 |
187 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
2 |
2 |
6578 |
4.8 |
0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
D |
1 |
1 |
6429 |
◊ |
P |
x-1/2,-y+1/2,-z+3/2 |
8_456 |
1 |
1 |
1242 |
4.8 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[ACT]D:523 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
6472 |
4.3 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
D |
1 |
1 |
6429 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6437 |
4.2 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[ACT]D:518 |
1 |
1 |
187 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
1 |
1 |
6578 |
3.9 |
-0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
[ACT]B:522 |
1 |
1 |
187 |
◊ |
S |
x,y,z |
1_555 |
1 |
1 |
1117 |
1.8 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[ACT]B:501 |
1 |
1 |
185 |
◊ |
D |
-x+1,y,-z+1 |
3_656 |
1 |
1 |
6429 |
1.8 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[ACT]A:521 |
1 |
1 |
187 |
◊ |
P |
x,y,z |
1_555 |
2 |
2 |
1242 |
1.4 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.002 |
|