## |
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 |
|
B |
184 |
54 |
11190 |
◊ |
A |
x,y,z |
1_555 |
190 |
53 |
11307 |
1654.8 |
-19.9 |
0.176 |
16 |
4 |
0 |
0.651 |
2 |
|
H |
183 |
51 |
11300 |
◊ |
L |
x,y,z |
1_555 |
177 |
51 |
11218 |
1625.6 |
-19.7 |
0.137 |
15 |
4 |
0 |
0.651 |
Average: |
1640.2 |
-19.8 |
0.156 |
16 |
4 |
0 |
0.651 |
2 |
3 |
|
H |
68 |
20 |
11300 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
56 |
17 |
11218 |
552.5 |
-2.4 |
0.652 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
46 |
17 |
11307 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
43 |
12 |
11190 |
375.6 |
-3.2 |
0.493 |
4 |
1 |
0 |
0.000 |
5 |
|
H |
31 |
9 |
11300 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
13 |
11218 |
316.8 |
-3.4 |
0.361 |
2 |
1 |
0 |
0.000 |
Average: |
346.2 |
-3.3 |
0.427 |
3 |
1 |
0 |
0.000 |
4 |
6 |
|
L |
38 |
10 |
11218 |
x |
L |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
10 |
11218 |
283.7 |
-0.1 |
0.653 |
4 |
0 |
0 |
0.000 |
7 |
|
A |
32 |
10 |
11307 |
x |
A |
-x+2,y-1/2,-z+2 |
2_747 |
35 |
10 |
11307 |
275.0 |
0.0 |
0.677 |
4 |
1 |
0 |
0.000 |
Average: |
279.4 |
-0.1 |
0.665 |
4 |
1 |
0 |
0.000 |
5 |
8 |
|
[HOP]H:1006 |
22 |
1 |
652 |
◊ |
H |
x,y,z |
1_555 |
30 |
10 |
11300 |
231.4 |
2.6 |
0.565 |
2 |
0 |
0 |
0.000 |
9 |
|
[HOP]B:1004 |
19 |
1 |
654 |
◊ |
B |
x,y,z |
1_555 |
33 |
12 |
11190 |
231.0 |
2.3 |
0.636 |
2 |
0 |
0 |
0.000 |
Average: |
231.2 |
2.4 |
0.600 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
[HOP]B:1004 |
24 |
1 |
654 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
11307 |
226.4 |
2.7 |
0.429 |
0 |
0 |
0 |
0.000 |
11 |
|
[HOP]H:1006 |
25 |
1 |
652 |
◊ |
L |
x,y,z |
1_555 |
27 |
9 |
11218 |
203.7 |
1.8 |
0.337 |
0 |
0 |
0 |
0.000 |
Average: |
215.1 |
2.3 |
0.383 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
B |
22 |
7 |
11190 |
x |
B |
x-1,y,z |
1_455 |
24 |
8 |
11190 |
221.5 |
-2.2 |
0.491 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
H |
22 |
6 |
11300 |
◊ |
B |
x-1,y-1,z |
1_445 |
23 |
8 |
11190 |
209.2 |
-1.0 |
0.658 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
L |
22 |
9 |
11218 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
8 |
11190 |
170.6 |
0.6 |
0.776 |
4 |
0 |
0 |
0.000 |
10 |
15 |
|
A |
20 |
9 |
11307 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
9 |
11190 |
156.3 |
-0.9 |
0.571 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
L |
14 |
7 |
11218 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
5 |
11307 |
124.5 |
1.0 |
0.720 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
L |
10 |
5 |
11218 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
2 |
11307 |
85.5 |
1.9 |
0.828 |
2 |
2 |
0 |
0.000 |
18 |
|
L |
7 |
2 |
11218 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
12 |
4 |
11307 |
83.5 |
1.8 |
0.740 |
1 |
0 |
0 |
0.000 |
Average: |
84.5 |
1.9 |
0.784 |
2 |
1 |
0 |
0.000 |
13 |
19 |
|
H |
8 |
3 |
11300 |
◊ |
L |
x-1,y,z |
1_455 |
9 |
3 |
11218 |
84.7 |
-0.6 |
0.507 |
2 |
0 |
0 |
0.000 |
14 |
20 |
|
A |
8 |
3 |
11307 |
x |
A |
x-1,y,z |
1_455 |
10 |
4 |
11307 |
75.6 |
1.8 |
0.859 |
2 |
1 |
0 |
0.000 |
15 |
21 |
|
H |
8 |
3 |
11300 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
11190 |
66.8 |
0.2 |
0.744 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
A |
11 |
3 |
11307 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
2 |
11190 |
59.0 |
-1.0 |
0.367 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[CD]H:1005 |
1 |
1 |
112 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
11300 |
57.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.122 |
18 |
24 |
|
[CD]A:212 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11307 |
50.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.120 |
25 |
|
[CD]L:213 |
1 |
1 |
112 |
f |
L |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
7 |
11218 |
48.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
49.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.120 |
19 |
26 |
|
[CD]L:214 |
1 |
1 |
112 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
11218 |
47.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.116 |
27 |
|
[CD]A:214 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11307 |
47.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
47.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.116 |
20 |
28 |
|
[CD]A:213 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11307 |
46.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.088 |
21 |
29 |
|
H |
7 |
5 |
11300 |
◊ |
[CD]L:214 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
112 |
44.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[CD]A:214 |
1 |
1 |
112 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
5 |
11190 |
44.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[CD]L:212 |
1 |
1 |
112 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
11218 |
44.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.077 |
23 |
32 |
|
[CD]H:1004 |
1 |
1 |
112 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
11300 |
44.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.085 |
24 |
33 |
|
[CD]A:212 |
1 |
1 |
112 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
2 |
11307 |
41.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[CD]L:213 |
1 |
1 |
112 |
◊ |
L |
x,y,z |
1_555 |
6 |
3 |
11218 |
40.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
40.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[CD]A:213 |
1 |
1 |
112 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
11190 |
40.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[CD]L:212 |
1 |
1 |
112 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
11300 |
32.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.052 |
27 |
37 |
|
[CD]H:1004 |
1 |
1 |
112 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
11218 |
30.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
B |
2 |
1 |
11190 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
11307 |
20.2 |
-0.4 |
0.398 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
H |
3 |
1 |
11300 |
x |
H |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
11300 |
20.0 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[CD]H:1005 |
1 |
1 |
112 |
◊ |
B |
x-1,y-1,z |
1_445 |
2 |
1 |
11190 |
12.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[CD]A:213 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11190 |
11.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.025 |
32 |
42 |
|
H |
1 |
1 |
11300 |
◊ |
A |
x-1,y-1,z |
1_445 |
2 |
1 |
11307 |
9.8 |
-0.3 |
0.300 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
H |
1 |
1 |
11300 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11190 |
1.0 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[HOP]H:1006 |
1 |
1 |
652 |
f |
H |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11300 |
0.5 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
|