## |
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 |
|
F |
161 |
38 |
12607 |
◊ |
B |
x,y,z |
1_555 |
160 |
37 |
12458 |
1494.1 |
-22.0 |
0.061 |
19 |
2 |
0 |
0.381 |
2 |
|
H |
161 |
36 |
12589 |
◊ |
D |
x,y,z |
1_555 |
160 |
37 |
12464 |
1487.7 |
-22.8 |
0.049 |
16 |
2 |
0 |
0.381 |
Average: |
1490.9 |
-22.4 |
0.055 |
18 |
2 |
0 |
0.381 |
2 |
3 |
|
H |
145 |
40 |
12589 |
◊ |
B |
x,y,z |
1_555 |
147 |
41 |
12458 |
1466.3 |
-20.6 |
0.075 |
15 |
5 |
0 |
0.374 |
4 |
|
F |
148 |
41 |
12607 |
◊ |
D |
x,y,z |
1_555 |
148 |
41 |
12464 |
1455.7 |
-21.4 |
0.058 |
17 |
4 |
0 |
0.374 |
Average: |
1461.0 |
-21.0 |
0.067 |
16 |
5 |
0 |
0.374 |
3 |
5 |
|
F |
92 |
26 |
12607 |
◊ |
H |
x-1/2,-y+3/2,-z-1 |
4_464 |
88 |
25 |
12589 |
895.1 |
6.8 |
0.952 |
14 |
13 |
0 |
0.000 |
4 |
6 |
|
H |
69 |
17 |
12589 |
◊ |
F |
x,y,z |
1_555 |
75 |
17 |
12607 |
677.3 |
-7.7 |
0.290 |
6 |
0 |
0 |
0.080 |
7 |
|
D |
71 |
17 |
12464 |
◊ |
B |
x,y,z |
1_555 |
71 |
17 |
12458 |
673.1 |
-5.9 |
0.433 |
6 |
0 |
0 |
0.080 |
Average: |
675.2 |
-6.8 |
0.362 |
6 |
0 |
0 |
0.080 |
5 |
8 |
|
D |
75 |
24 |
12464 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
62 |
21 |
12458 |
662.6 |
-1.8 |
0.699 |
11 |
11 |
0 |
0.050 |
6 |
9 |
|
[NAD]B:302 |
43 |
1 |
822 |
f |
B |
x,y,z |
1_555 |
92 |
33 |
12458 |
558.8 |
-8.1 |
0.531 |
12 |
0 |
0 |
0.347 |
10 |
|
[NAD]F:302 |
42 |
1 |
822 |
f |
F |
x,y,z |
1_555 |
94 |
34 |
12607 |
556.1 |
-8.1 |
0.500 |
13 |
0 |
0 |
0.347 |
11 |
|
[NAD]D:302 |
43 |
1 |
822 |
f |
D |
x,y,z |
1_555 |
93 |
34 |
12464 |
553.8 |
-7.9 |
0.512 |
12 |
0 |
0 |
0.347 |
12 |
|
[NAD]H:302 |
43 |
1 |
818 |
f |
H |
x,y,z |
1_555 |
93 |
33 |
12589 |
553.7 |
-8.1 |
0.498 |
13 |
0 |
0 |
0.347 |
Average: |
555.6 |
-8.0 |
0.510 |
13 |
0 |
0 |
0.347 |
7 |
13 |
|
[9WK]D:301 |
25 |
1 |
585 |
f |
D |
x,y,z |
1_555 |
47 |
19 |
12464 |
364.4 |
-7.3 |
0.320 |
2 |
0 |
0 |
0.216 |
14 |
|
[9WK]F:301 |
25 |
1 |
585 |
f |
F |
x,y,z |
1_555 |
47 |
18 |
12607 |
363.9 |
-7.3 |
0.323 |
2 |
0 |
0 |
0.216 |
15 |
|
[9WK]H:301 |
25 |
1 |
584 |
f |
H |
x,y,z |
1_555 |
47 |
18 |
12589 |
361.1 |
-7.4 |
0.329 |
2 |
0 |
0 |
0.216 |
16 |
|
[9WK]B:301 |
25 |
1 |
587 |
f |
B |
x,y,z |
1_555 |
45 |
19 |
12458 |
354.2 |
-7.7 |
0.301 |
2 |
0 |
0 |
0.216 |
Average: |
360.9 |
-7.4 |
0.318 |
2 |
0 |
0 |
0.216 |
8 |
17 |
|
[NAD]D:302 |
19 |
1 |
822 |
f |
[9WK]D:301 |
x,y,z |
1_555 |
10 |
1 |
585 |
113.5 |
-2.8 |
0.553 |
1 |
0 |
0 |
0.080 |
18 |
|
[NAD]B:302 |
18 |
1 |
822 |
f |
[9WK]B:301 |
x,y,z |
1_555 |
10 |
1 |
587 |
113.1 |
-2.7 |
0.548 |
1 |
0 |
0 |
0.080 |
19 |
|
[NAD]F:302 |
18 |
1 |
822 |
f |
[9WK]F:301 |
x,y,z |
1_555 |
10 |
1 |
585 |
112.8 |
-2.7 |
0.551 |
0 |
0 |
0 |
0.080 |
20 |
|
[NAD]H:302 |
18 |
1 |
818 |
f |
[9WK]H:301 |
x,y,z |
1_555 |
10 |
1 |
584 |
112.6 |
-2.7 |
0.547 |
1 |
0 |
0 |
0.080 |
Average: |
113.0 |
-2.7 |
0.550 |
1 |
0 |
0 |
0.080 |
9 |
21 |
|
D |
2 |
1 |
12464 |
◊ |
[9WK]B:301 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
587 |
13.0 |
-0.4 |
0.409 |
0 |
0 |
0 |
0.002 |
|