| ## |
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 |
|
K |
51 |
10 |
1661 |
◊ |
C |
x,y,z |
1_555 |
67 |
18 |
6999 |
539.2 |
-11.7 |
0.385 |
2 |
0 |
0 |
0.874 |
2 |
|
L |
51 |
9 |
1687 |
◊ |
D |
x,y,z |
1_555 |
69 |
17 |
6621 |
530.4 |
-11.8 |
0.390 |
2 |
0 |
0 |
0.874 |
3 |
|
J |
52 |
10 |
1631 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
6494 |
512.6 |
-11.5 |
0.338 |
4 |
0 |
0 |
0.874 |
4 |
|
I |
52 |
11 |
1675 |
◊ |
B |
x,y,z |
1_555 |
66 |
17 |
6756 |
506.9 |
-10.4 |
0.483 |
4 |
0 |
0 |
0.874 |
| Average: |
522.3 |
-11.4 |
0.399 |
3 |
0 |
0 |
0.874 |
| 2 |
5 |
|
A |
36 |
16 |
6494 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
31 |
11 |
6999 |
326.4 |
-6.0 |
0.144 |
1 |
0 |
0 |
0.000 |
6 |
|
D |
28 |
8 |
6621 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
33 |
13 |
6756 |
315.7 |
-5.3 |
0.176 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
30 |
9 |
6494 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
32 |
11 |
6999 |
295.8 |
-4.7 |
0.217 |
2 |
0 |
0 |
0.000 |
8 |
|
D |
29 |
12 |
6621 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
27 |
10 |
6756 |
276.5 |
-4.7 |
0.187 |
1 |
0 |
0 |
0.000 |
| Average: |
303.6 |
-5.2 |
0.181 |
1 |
0 |
0 |
0.000 |
| 3 |
9 |
|
I |
28 |
7 |
1675 |
◊ |
C |
x,y,z |
1_555 |
32 |
11 |
6999 |
326.3 |
-2.4 |
0.802 |
4 |
0 |
0 |
0.000 |
10 |
|
J |
26 |
7 |
1631 |
◊ |
D |
x,y,z |
1_555 |
32 |
12 |
6621 |
301.2 |
-1.5 |
0.843 |
5 |
0 |
0 |
0.000 |
11 |
|
L |
27 |
6 |
1687 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
11 |
6494 |
295.1 |
-1.3 |
0.784 |
6 |
0 |
0 |
0.000 |
12 |
|
K |
27 |
6 |
1661 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
12 |
6756 |
291.1 |
-2.3 |
0.763 |
5 |
0 |
0 |
0.000 |
| Average: |
303.4 |
-1.9 |
0.798 |
5 |
0 |
0 |
0.000 |
| 4 |
13 |
|
J |
23 |
6 |
1631 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
22 |
4 |
6999 |
166.7 |
-3.2 |
0.536 |
0 |
0 |
0 |
0.000 |
14 |
|
L |
21 |
5 |
1687 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
16 |
4 |
6756 |
147.1 |
-2.4 |
0.453 |
0 |
0 |
0 |
0.000 |
15 |
|
D |
16 |
4 |
6621 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
19 |
5 |
1675 |
129.8 |
-2.2 |
0.474 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
9 |
1 |
6494 |
◊ |
K |
-x+2,y-1/2,-z |
2_745 |
10 |
3 |
1661 |
82.2 |
-1.6 |
0.459 |
1 |
0 |
0 |
0.000 |
| Average: |
131.5 |
-2.4 |
0.481 |
0 |
0 |
0 |
0.000 |
| 5 |
17 |
|
L |
16 |
4 |
1687 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
5 |
6756 |
154.3 |
-2.2 |
0.588 |
0 |
0 |
0 |
0.000 |
| 6 |
18 |
|
D |
15 |
6 |
6621 |
◊ |
K |
x,y-1,z |
1_545 |
14 |
4 |
1661 |
150.9 |
-3.3 |
0.420 |
0 |
0 |
0 |
0.000 |
| 7 |
19 |
|
D |
22 |
9 |
6621 |
◊ |
C |
x,y-1,z |
1_545 |
12 |
4 |
6999 |
139.3 |
-1.8 |
0.464 |
1 |
0 |
0 |
0.000 |
| 8 |
20 |
|
D |
11 |
5 |
6621 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
6999 |
126.8 |
-2.2 |
0.265 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
A |
16 |
4 |
6494 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
5 |
6756 |
121.0 |
-1.6 |
0.438 |
1 |
1 |
0 |
0.000 |
| 10 |
22 |
|
C |
15 |
5 |
6999 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
6756 |
115.2 |
1.7 |
0.888 |
0 |
4 |
0 |
0.000 |
23 |
|
D |
13 |
5 |
6621 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
6494 |
110.0 |
1.1 |
0.847 |
1 |
2 |
0 |
0.000 |
24 |
|
C |
9 |
4 |
6999 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
5 |
6756 |
86.5 |
0.8 |
0.783 |
2 |
3 |
0 |
0.000 |
25 |
|
D |
11 |
4 |
6621 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
5 |
6494 |
80.5 |
0.5 |
0.763 |
1 |
2 |
0 |
0.000 |
| Average: |
98.0 |
1.0 |
0.820 |
1 |
3 |
0 |
0.000 |
| 11 |
26 |
|
C |
10 |
3 |
6999 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
6 |
6999 |
95.7 |
-0.9 |
0.472 |
0 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[ACE]I:1 |
3 |
1 |
172 |
cf |
I |
x,y,z |
1_555 |
11 |
4 |
1675 |
76.9 |
-2.3 |
0.689 |
0 |
0 |
0 |
0.154 |
28 |
|
[ACE]L:1 |
3 |
1 |
172 |
cf |
L |
x,y,z |
1_555 |
12 |
4 |
1687 |
71.4 |
-2.1 |
0.739 |
0 |
0 |
0 |
0.154 |
29 |
|
[ACE]J:1 |
3 |
1 |
172 |
cf |
J |
x,y,z |
1_555 |
10 |
4 |
1631 |
70.9 |
-2.0 |
0.689 |
0 |
0 |
0 |
0.154 |
30 |
|
[ACE]K:1 |
3 |
1 |
172 |
cf |
K |
x,y,z |
1_555 |
9 |
4 |
1661 |
69.6 |
-2.0 |
0.658 |
0 |
0 |
0 |
0.154 |
| Average: |
72.2 |
-2.1 |
0.694 |
0 |
0 |
0 |
0.154 |
| 13 |
31 |
|
J |
7 |
3 |
1631 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
2 |
6999 |
64.1 |
-0.7 |
0.633 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
[NH2]K:16 |
1 |
1 |
117 |
cf |
K |
x,y,z |
1_555 |
6 |
3 |
1661 |
56.0 |
0.5 |
0.830 |
0 |
0 |
0 |
0.000 |
33 |
|
[NH2]J:16 |
1 |
1 |
117 |
cf |
J |
x,y,z |
1_555 |
7 |
2 |
1631 |
55.3 |
0.5 |
0.864 |
0 |
0 |
0 |
0.000 |
34 |
|
[NH2]I:16 |
1 |
1 |
117 |
cf |
I |
x,y,z |
1_555 |
7 |
2 |
1675 |
54.6 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
35 |
|
[NH2]L:16 |
1 |
1 |
117 |
cf |
L |
x,y,z |
1_555 |
10 |
3 |
1687 |
51.0 |
0.4 |
0.907 |
0 |
0 |
0 |
0.000 |
| Average: |
54.2 |
0.5 |
0.868 |
0 |
0 |
0 |
0.000 |
| 15 |
36 |
|
[ACE]L:1 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
6621 |
50.5 |
-0.2 |
0.810 |
1 |
0 |
0 |
0.046 |
37 |
|
[ACE]I:1 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
6756 |
50.4 |
0.2 |
0.867 |
2 |
0 |
0 |
0.046 |
38 |
|
[ACE]K:1 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
6999 |
46.9 |
-0.0 |
0.822 |
1 |
0 |
0 |
0.046 |
| Average: |
49.3 |
0.0 |
0.833 |
1 |
0 |
0 |
0.046 |
| 16 |
39 |
|
C |
4 |
1 |
6999 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
4 |
6756 |
50.1 |
-1.1 |
0.291 |
0 |
0 |
0 |
0.000 |
| 17 |
40 |
|
[ACE]J:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
6494 |
47.5 |
0.0 |
0.824 |
1 |
0 |
0 |
0.027 |
| 18 |
41 |
|
I |
6 |
1 |
1675 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6494 |
39.7 |
-1.1 |
0.362 |
0 |
0 |
0 |
0.000 |
| 19 |
42 |
|
B |
3 |
2 |
6756 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6494 |
32.9 |
-0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
[NH2]L:16 |
1 |
1 |
117 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
6756 |
29.3 |
-0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
| 21 |
44 |
|
D |
6 |
3 |
6621 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
6494 |
24.5 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.000 |
| 22 |
45 |
|
[NH2]K:16 |
1 |
1 |
117 |
f |
[ACE]K:1 |
x,y,z |
1_555 |
1 |
1 |
172 |
22.7 |
0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
| 23 |
46 |
|
D |
3 |
2 |
6621 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
6999 |
19.3 |
0.4 |
0.778 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
3 |
2 |
6494 |
◊ |
B |
-x+3,y-1/2,-z |
2_845 |
2 |
2 |
6756 |
16.4 |
0.4 |
0.778 |
0 |
0 |
0 |
0.000 |
| Average: |
17.8 |
0.4 |
0.778 |
0 |
0 |
0 |
0.000 |
| 24 |
48 |
|
D |
1 |
1 |
6621 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
6756 |
16.7 |
0.0 |
0.381 |
0 |
0 |
0 |
0.000 |
| 25 |
49 |
|
[NH2]L:16 |
1 |
1 |
117 |
f |
[ACE]L:1 |
x,y,z |
1_555 |
1 |
1 |
172 |
14.4 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.003 |
50 |
|
[NH2]J:16 |
1 |
1 |
117 |
f |
[ACE]J:1 |
x,y,z |
1_555 |
1 |
1 |
172 |
11.4 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.003 |
51 |
|
[NH2]I:16 |
1 |
1 |
117 |
f |
[ACE]I:1 |
x,y,z |
1_555 |
1 |
1 |
172 |
0.5 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.003 |
| Average: |
8.8 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.003 |
| 26 |
52 |
|
C |
1 |
1 |
6999 |
◊ |
B |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
6756 |
2.3 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|