| ## |
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 |
|
J |
214 |
50 |
19737 |
◊ |
I |
x,y,z |
1_555 |
218 |
50 |
19744 |
2066.9 |
-18.9 |
0.082 |
19 |
13 |
0 |
0.296 |
2 |
|
L |
210 |
49 |
19706 |
◊ |
K |
x,y,z |
1_555 |
214 |
48 |
19608 |
2042.4 |
-19.3 |
0.073 |
20 |
11 |
0 |
0.296 |
| Average: |
2054.7 |
-19.1 |
0.078 |
20 |
12 |
0 |
0.296 |
| 2 |
3 |
|
J |
103 |
35 |
19737 |
◊ |
K |
x-1,y,z |
1_455 |
99 |
35 |
19608 |
929.4 |
-3.6 |
0.527 |
9 |
4 |
0 |
0.000 |
| 3 |
4 |
|
[NDP]K:605 |
47 |
1 |
901 |
f |
L |
x,y,z |
1_555 |
94 |
37 |
19706 |
627.2 |
-3.9 |
0.506 |
14 |
0 |
0 |
0.211 |
5 |
|
[NDP]I:600 |
46 |
1 |
892 |
f |
I |
x,y,z |
1_555 |
94 |
36 |
19744 |
619.8 |
-3.8 |
0.498 |
15 |
0 |
0 |
0.211 |
6 |
|
[NDP]K:600 |
46 |
1 |
897 |
f |
K |
x,y,z |
1_555 |
89 |
36 |
19608 |
618.7 |
-4.1 |
0.506 |
16 |
0 |
0 |
0.211 |
7 |
|
[NDP]L:600 |
45 |
1 |
902 |
f |
J |
x,y,z |
1_555 |
92 |
34 |
19737 |
614.0 |
-4.5 |
0.488 |
15 |
0 |
0 |
0.211 |
| Average: |
619.9 |
-4.0 |
0.499 |
15 |
0 |
0 |
0.211 |
| 4 |
8 |
|
L |
55 |
16 |
19706 |
◊ |
J |
x,y,z |
1_555 |
54 |
14 |
19737 |
509.1 |
-4.5 |
0.243 |
4 |
2 |
0 |
0.000 |
9 |
|
K |
55 |
15 |
19608 |
◊ |
I |
x,y,z |
1_555 |
59 |
18 |
19744 |
504.0 |
-4.3 |
0.258 |
3 |
2 |
0 |
0.000 |
| Average: |
506.6 |
-4.4 |
0.250 |
4 |
2 |
0 |
0.000 |
| 5 |
10 |
|
I |
38 |
13 |
19744 |
x |
I |
x,y-1,z |
1_545 |
47 |
13 |
19744 |
312.9 |
-2.5 |
0.388 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
I |
39 |
15 |
19744 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
36 |
12 |
19737 |
307.6 |
-3.0 |
0.268 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
L |
41 |
15 |
19706 |
x |
L |
-x+1,y-1/2,-z |
2_645 |
31 |
10 |
19706 |
303.6 |
-1.9 |
0.407 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
I |
32 |
12 |
19744 |
x |
I |
-x,y-1/2,-z+1 |
2_546 |
22 |
9 |
19744 |
199.4 |
-0.3 |
0.598 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
L |
22 |
7 |
19706 |
x |
L |
x,y-1,z |
1_545 |
22 |
5 |
19706 |
186.6 |
0.8 |
0.735 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
K |
20 |
6 |
19608 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
7 |
19744 |
184.2 |
-1.6 |
0.335 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
L |
13 |
6 |
19706 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
19608 |
166.0 |
-1.5 |
0.342 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[HIO]K:603 |
10 |
1 |
293 |
f |
K |
x,y,z |
1_555 |
34 |
17 |
19608 |
140.5 |
-0.7 |
0.419 |
2 |
0 |
0 |
0.024 |
18 |
|
[HIO]L:603 |
10 |
1 |
296 |
f |
L |
x,y,z |
1_555 |
33 |
16 |
19706 |
140.1 |
-0.0 |
0.520 |
2 |
0 |
0 |
0.024 |
19 |
|
[HIO]J:603 |
10 |
1 |
294 |
f |
J |
x,y,z |
1_555 |
33 |
17 |
19737 |
139.1 |
-0.2 |
0.477 |
2 |
0 |
0 |
0.024 |
20 |
|
[HIO]I:603 |
10 |
1 |
292 |
f |
I |
x,y,z |
1_555 |
34 |
17 |
19744 |
138.2 |
-0.2 |
0.493 |
2 |
0 |
0 |
0.024 |
| Average: |
139.5 |
-0.3 |
0.477 |
2 |
0 |
0 |
0.024 |
| 13 |
21 |
|
K |
13 |
5 |
19608 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
19706 |
119.7 |
-1.0 |
0.427 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
J |
14 |
4 |
19737 |
◊ |
I |
-x,y-1/2,-z+1 |
2_546 |
12 |
3 |
19744 |
118.7 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[CL]J:604 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
13 |
5 |
19737 |
66.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.146 |
24 |
|
[CL]I:604 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
7 |
4 |
19744 |
58.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.146 |
25 |
|
[CL]K:604 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
7 |
3 |
19608 |
49.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.146 |
| Average: |
58.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.146 |
| 16 |
26 |
|
[HIO]K:603 |
7 |
1 |
293 |
f |
[NDP]K:600 |
x,y,z |
1_555 |
11 |
1 |
897 |
61.5 |
-0.6 |
0.455 |
0 |
0 |
0 |
0.011 |
27 |
|
[HIO]L:603 |
7 |
1 |
296 |
f |
[NDP]K:605 |
x,y,z |
1_555 |
10 |
1 |
901 |
61.4 |
-0.5 |
0.468 |
0 |
0 |
0 |
0.011 |
28 |
|
[HIO]I:603 |
7 |
1 |
292 |
f |
[NDP]I:600 |
x,y,z |
1_555 |
10 |
1 |
892 |
61.3 |
-0.4 |
0.454 |
0 |
0 |
0 |
0.011 |
29 |
|
[HIO]J:603 |
7 |
1 |
294 |
f |
[NDP]L:600 |
x,y,z |
1_555 |
10 |
1 |
902 |
60.3 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.011 |
| Average: |
61.1 |
-0.5 |
0.462 |
0 |
0 |
0 |
0.011 |
| 17 |
30 |
|
[MG]K:602 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
16 |
8 |
19608 |
38.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.097 |
31 |
|
[MG]J:602 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
15 |
8 |
19737 |
37.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.097 |
32 |
|
[MG]I:602 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
17 |
8 |
19744 |
37.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.097 |
33 |
|
[MG]L:602 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
14 |
8 |
19706 |
37.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
37.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.097 |
| 18 |
34 |
|
[MG]K:601 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
14 |
7 |
19608 |
32.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.097 |
35 |
|
[MG]J:601 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
13 |
7 |
19737 |
32.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.097 |
36 |
|
[MG]I:601 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
19744 |
32.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.097 |
37 |
|
[MG]L:601 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
14 |
7 |
19706 |
32.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.097 |
| Average: |
32.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.097 |
| 19 |
38 |
|
[NDP]K:600 |
8 |
1 |
897 |
f |
[MG]K:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.060 |
39 |
|
[NDP]K:605 |
7 |
1 |
901 |
f |
[MG]L:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.060 |
40 |
|
[NDP]I:600 |
6 |
1 |
892 |
f |
[MG]I:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.060 |
41 |
|
[NDP]L:600 |
6 |
1 |
902 |
f |
[MG]J:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
19.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| 20 |
42 |
|
[HIO]K:603 |
4 |
1 |
293 |
f |
[MG]K:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.055 |
43 |
|
[HIO]L:603 |
4 |
1 |
296 |
f |
[MG]L:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.055 |
44 |
|
[HIO]J:603 |
4 |
1 |
294 |
f |
[MG]J:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.055 |
45 |
|
[HIO]I:603 |
3 |
1 |
292 |
f |
[MG]I:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
25.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.055 |
| 21 |
46 |
|
[HIO]L:603 |
4 |
1 |
296 |
f |
[MG]L:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.048 |
47 |
|
[HIO]I:603 |
3 |
1 |
292 |
f |
[MG]I:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.048 |
48 |
|
[HIO]J:603 |
3 |
1 |
294 |
f |
[MG]J:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.048 |
49 |
|
[HIO]K:603 |
4 |
1 |
293 |
f |
[MG]K:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
24.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.048 |
| 22 |
50 |
|
[NDP]K:600 |
2 |
1 |
897 |
f |
[MG]K:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
51 |
|
[NDP]K:605 |
2 |
1 |
901 |
f |
[MG]L:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
52 |
|
[NDP]I:600 |
2 |
1 |
892 |
f |
[MG]I:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
53 |
|
[NDP]L:600 |
2 |
1 |
902 |
f |
[MG]J:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
11.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 23 |
54 |
|
[MG]I:602 |
1 |
1 |
98 |
f |
[MG]I:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| 24 |
55 |
|
[MG]L:602 |
1 |
1 |
98 |
f |
[MG]L:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| 25 |
56 |
|
[MG]J:602 |
1 |
1 |
98 |
f |
[MG]J:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 26 |
57 |
|
[MG]K:602 |
1 |
1 |
98 |
f |
[MG]K:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.012 |
|