| ## |
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 |
|
N |
200 |
59 |
11956 |
◊ |
M |
x,y,z |
1_555 |
188 |
51 |
11692 |
1809.1 |
-24.6 |
0.045 |
12 |
1 |
0 |
1.000 |
2 |
|
L |
201 |
58 |
11894 |
◊ |
H |
x,y,z |
1_555 |
191 |
51 |
11419 |
1753.1 |
-25.2 |
0.052 |
8 |
1 |
0 |
1.000 |
| Average: |
1781.1 |
-24.9 |
0.048 |
10 |
1 |
0 |
1.000 |
| 2 |
3 |
|
M |
89 |
31 |
11692 |
◊ |
H |
x,y,z |
1_555 |
91 |
31 |
11419 |
833.2 |
-1.9 |
0.768 |
12 |
2 |
0 |
0.000 |
| 3 |
4 |
|
P |
95 |
23 |
6031 |
◊ |
O |
x,y,z |
1_555 |
94 |
22 |
6059 |
724.7 |
-10.1 |
0.180 |
2 |
0 |
0 |
1.000 |
| 4 |
5 |
|
P |
44 |
18 |
6031 |
◊ |
L |
x,y,z |
1_555 |
52 |
18 |
11894 |
470.6 |
1.1 |
0.830 |
12 |
1 |
0 |
0.000 |
| 5 |
6 |
|
H |
38 |
14 |
11419 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
44 |
12 |
11956 |
414.8 |
3.0 |
0.891 |
8 |
1 |
0 |
0.000 |
7 |
|
L |
40 |
12 |
11894 |
◊ |
M |
-x,y-1/2,-z+1 |
2_546 |
35 |
14 |
11692 |
351.3 |
-0.1 |
0.700 |
9 |
0 |
0 |
0.000 |
| Average: |
383.1 |
1.4 |
0.795 |
9 |
1 |
0 |
0.000 |
| 6 |
8 |
|
M |
39 |
16 |
11692 |
◊ |
N |
x-1,y,z |
1_455 |
35 |
11 |
11956 |
334.5 |
1.2 |
0.800 |
9 |
2 |
0 |
0.000 |
9 |
|
H |
45 |
16 |
11419 |
◊ |
L |
x-1,y,z |
1_455 |
34 |
11 |
11894 |
312.2 |
-0.0 |
0.739 |
7 |
0 |
0 |
0.000 |
| Average: |
323.4 |
0.6 |
0.770 |
8 |
1 |
0 |
0.000 |
| 7 |
10 |
|
L |
34 |
10 |
11894 |
◊ |
P |
x-1,y,z |
1_455 |
29 |
9 |
6031 |
300.2 |
-1.4 |
0.550 |
3 |
0 |
0 |
0.000 |
| 8 |
11 |
|
L |
31 |
12 |
11894 |
◊ |
N |
-x,y-1/2,-z+1 |
2_546 |
32 |
11 |
11956 |
285.6 |
-2.2 |
0.419 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
N |
28 |
9 |
11956 |
◊ |
H |
x,y,z |
1_555 |
28 |
10 |
11419 |
238.4 |
-0.3 |
0.652 |
6 |
0 |
0 |
0.000 |
13 |
|
L |
28 |
9 |
11894 |
◊ |
M |
x,y,z |
1_555 |
32 |
11 |
11692 |
234.3 |
-0.5 |
0.614 |
4 |
0 |
0 |
0.000 |
| Average: |
236.3 |
-0.4 |
0.633 |
5 |
0 |
0 |
0.000 |
| 10 |
14 |
|
H |
22 |
5 |
11419 |
◊ |
P |
x-1,y,z |
1_455 |
23 |
9 |
6031 |
167.4 |
2.1 |
0.900 |
3 |
2 |
0 |
0.000 |
| 11 |
15 |
|
N |
14 |
4 |
11956 |
◊ |
O |
x-1,y,z+1 |
1_456 |
17 |
6 |
6059 |
143.5 |
-1.4 |
0.363 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
M |
20 |
7 |
11692 |
◊ |
H |
x-1,y,z |
1_455 |
12 |
4 |
11419 |
128.4 |
-0.9 |
0.530 |
0 |
0 |
0 |
0.000 |
17 |
|
H |
16 |
5 |
11419 |
◊ |
M |
x-1,y,z |
1_455 |
13 |
5 |
11692 |
125.6 |
-0.6 |
0.587 |
3 |
0 |
0 |
0.000 |
| Average: |
127.0 |
-0.8 |
0.558 |
2 |
0 |
0 |
0.000 |
| 13 |
18 |
|
O |
11 |
4 |
6059 |
◊ |
N |
x,y,z-1 |
1_554 |
12 |
3 |
11956 |
118.2 |
0.6 |
0.716 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[IOD]L:302 |
1 |
1 |
144 |
f |
L |
x,y,z |
1_555 |
18 |
8 |
11894 |
98.5 |
-0.2 |
0.709 |
0 |
0 |
0 |
0.100 |
| 15 |
20 |
|
[EDO]H:304 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
11419 |
97.6 |
2.0 |
0.380 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[EDO]M:305 |
4 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
13 |
6 |
11692 |
93.1 |
2.4 |
0.455 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[EDO]H:303 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
15 |
6 |
11419 |
91.7 |
2.1 |
0.430 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[IOD]M:301 |
1 |
1 |
144 |
f |
M |
x,y,z |
1_555 |
16 |
8 |
11692 |
87.7 |
-0.3 |
0.704 |
0 |
0 |
0 |
0.023 |
24 |
|
[IOD]H:301 |
1 |
1 |
144 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
11419 |
84.4 |
-0.3 |
0.698 |
0 |
0 |
0 |
0.023 |
| Average: |
86.1 |
-0.3 |
0.701 |
0 |
0 |
0 |
0.023 |
| 19 |
25 |
|
[IOD]H:302 |
1 |
1 |
144 |
f |
M |
x,y,z |
1_555 |
16 |
6 |
11692 |
73.7 |
-0.5 |
0.669 |
0 |
0 |
0 |
0.032 |
26 |
|
[IOD]M:303 |
1 |
1 |
144 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
11419 |
70.8 |
-0.5 |
0.696 |
0 |
0 |
0 |
0.032 |
| Average: |
72.2 |
-0.5 |
0.683 |
0 |
0 |
0 |
0.032 |
| 20 |
27 |
|
[IOD]L:301 |
1 |
1 |
144 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
11894 |
59.9 |
-0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
28 |
|
[IOD]N:301 |
1 |
1 |
144 |
◊ |
N |
x,y,z |
1_555 |
11 |
4 |
11956 |
58.8 |
-0.3 |
0.660 |
0 |
0 |
0 |
0.000 |
| Average: |
59.3 |
-0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[IOD]M:302 |
1 |
1 |
144 |
◊ |
M |
x,y,z |
1_555 |
9 |
5 |
11692 |
59.4 |
-0.3 |
0.661 |
0 |
0 |
0 |
0.000 |
30 |
|
[IOD]M:302 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
11419 |
58.9 |
-0.4 |
0.645 |
0 |
0 |
0 |
0.000 |
| Average: |
59.2 |
-0.4 |
0.653 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[IOD]M:304 |
1 |
1 |
144 |
f |
H |
x,y,z |
1_555 |
9 |
5 |
11419 |
59.1 |
-0.4 |
0.627 |
0 |
0 |
0 |
0.029 |
| 23 |
32 |
|
H |
12 |
4 |
11419 |
f |
[IOD]N:301 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
144 |
57.8 |
-0.2 |
0.722 |
0 |
0 |
0 |
0.021 |
33 |
|
[IOD]L:301 |
1 |
1 |
144 |
f |
M |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
11692 |
57.4 |
-0.6 |
0.556 |
0 |
0 |
0 |
0.021 |
| Average: |
57.6 |
-0.4 |
0.639 |
0 |
0 |
0 |
0.021 |
| 24 |
34 |
|
[IOD]M:303 |
1 |
1 |
144 |
◊ |
M |
x,y,z |
1_555 |
5 |
2 |
11692 |
44.3 |
-0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
35 |
|
[IOD]H:302 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11419 |
41.8 |
-0.3 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
43.1 |
-0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
[IOD]M:304 |
1 |
1 |
144 |
◊ |
M |
x,y,z |
1_555 |
10 |
3 |
11692 |
42.8 |
-0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[EDO]H:304 |
3 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
1 |
1 |
11692 |
29.8 |
0.9 |
0.972 |
1 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[IOD]L:302 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
11419 |
9.1 |
0.1 |
0.900 |
0 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[EDO]H:303 |
1 |
1 |
187 |
f |
N |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11956 |
7.7 |
0.2 |
0.885 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
M |
1 |
1 |
11692 |
x |
M |
x-1,y,z |
1_455 |
1 |
1 |
11692 |
1.8 |
-0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
|