## |
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 |
|
H |
193 |
52 |
11681 |
◊ |
L |
x,y,z |
1_555 |
216 |
60 |
11750 |
1899.4 |
-29.3 |
0.075 |
17 |
1 |
1 |
1.000 |
2 |
|
Y |
195 |
52 |
11581 |
◊ |
X |
x,y,z |
1_555 |
212 |
58 |
11708 |
1877.3 |
-30.1 |
0.070 |
15 |
1 |
1 |
1.000 |
Average: |
1888.3 |
-29.7 |
0.073 |
16 |
1 |
1 |
1.000 |
2 |
3 |
|
X |
46 |
14 |
11708 |
◊ |
H |
x,y,z-1 |
1_554 |
46 |
15 |
11681 |
437.3 |
-2.2 |
0.645 |
7 |
0 |
0 |
0.000 |
4 |
|
Y |
40 |
14 |
11581 |
◊ |
L |
x,y,z |
1_555 |
44 |
13 |
11750 |
388.8 |
-2.1 |
0.638 |
4 |
0 |
0 |
0.000 |
Average: |
413.0 |
-2.1 |
0.641 |
6 |
0 |
0 |
0.000 |
3 |
5 |
|
H |
39 |
14 |
11681 |
x |
H |
-x+1,y-1/2,-z |
2_645 |
38 |
11 |
11681 |
358.5 |
-6.1 |
0.275 |
2 |
0 |
0 |
0.000 |
6 |
|
Y |
32 |
10 |
11581 |
x |
Y |
-x,y-1/2,-z-1 |
2_544 |
39 |
13 |
11581 |
315.9 |
-3.6 |
0.534 |
0 |
0 |
0 |
0.000 |
Average: |
337.2 |
-4.9 |
0.404 |
1 |
0 |
0 |
0.000 |
4 |
7 |
|
[OX1]H:501 |
20 |
1 |
467 |
f |
H |
x,y,z |
1_555 |
56 |
16 |
11681 |
322.2 |
-0.2 |
0.428 |
1 |
0 |
0 |
0.100 |
5 |
8 |
|
[OX1]Y:500 |
20 |
1 |
465 |
f |
Y |
x,y,z |
1_555 |
51 |
16 |
11581 |
308.9 |
0.5 |
0.471 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
Y |
32 |
12 |
11581 |
◊ |
X |
x-1,y,z |
1_455 |
34 |
10 |
11708 |
303.3 |
0.6 |
0.833 |
4 |
0 |
0 |
0.000 |
10 |
|
L |
31 |
9 |
11750 |
◊ |
H |
x-1,y,z |
1_455 |
30 |
9 |
11681 |
299.9 |
0.6 |
0.824 |
5 |
0 |
0 |
0.000 |
Average: |
301.6 |
0.6 |
0.829 |
5 |
0 |
0 |
0.000 |
7 |
11 |
|
H |
32 |
9 |
11681 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
34 |
11 |
11750 |
276.8 |
1.2 |
0.827 |
5 |
0 |
0 |
0.000 |
12 |
|
X |
24 |
9 |
11708 |
◊ |
Y |
-x,y-1/2,-z-1 |
2_544 |
21 |
8 |
11581 |
213.3 |
1.7 |
0.863 |
3 |
1 |
0 |
0.000 |
Average: |
245.1 |
1.4 |
0.845 |
4 |
1 |
0 |
0.000 |
8 |
13 |
|
Y |
18 |
7 |
11581 |
◊ |
L |
x-1,y,z |
1_455 |
11 |
4 |
11750 |
151.4 |
2.1 |
0.867 |
5 |
0 |
0 |
0.000 |
14 |
|
X |
13 |
4 |
11708 |
◊ |
H |
x-1,y,z-1 |
1_454 |
15 |
7 |
11681 |
148.0 |
2.4 |
0.864 |
5 |
0 |
0 |
0.000 |
Average: |
149.7 |
2.3 |
0.866 |
5 |
0 |
0 |
0.000 |
9 |
15 |
|
X |
11 |
3 |
11708 |
x |
X |
-x+1,y-1/2,-z-1 |
2_644 |
12 |
5 |
11708 |
85.5 |
-0.4 |
0.539 |
0 |
0 |
0 |
0.000 |
16 |
|
L |
7 |
2 |
11750 |
x |
L |
-x,y-1/2,-z |
2_545 |
8 |
3 |
11750 |
52.8 |
-0.5 |
0.505 |
0 |
0 |
0 |
0.000 |
Average: |
69.2 |
-0.4 |
0.522 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
H |
6 |
3 |
11681 |
◊ |
X |
-x+1,y-1/2,-z-1 |
2_644 |
10 |
4 |
11708 |
81.3 |
-0.5 |
0.513 |
2 |
0 |
0 |
0.000 |
18 |
|
L |
4 |
1 |
11750 |
◊ |
Y |
-x,y-1/2,-z-1 |
2_544 |
7 |
3 |
11581 |
61.5 |
-0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
Average: |
71.4 |
-0.4 |
0.475 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
[OX1]Y:500 |
8 |
1 |
465 |
◊ |
X |
x,y,z |
1_555 |
15 |
5 |
11708 |
80.6 |
1.4 |
0.563 |
0 |
0 |
0 |
0.000 |
20 |
|
[OX1]H:501 |
8 |
1 |
467 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
11750 |
68.7 |
2.1 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
74.7 |
1.8 |
0.595 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
Y |
7 |
1 |
11581 |
x |
Y |
x-1,y,z |
1_455 |
8 |
2 |
11581 |
69.4 |
0.5 |
0.757 |
1 |
2 |
0 |
0.000 |
22 |
|
H |
7 |
2 |
11681 |
x |
H |
x-1,y,z |
1_455 |
6 |
2 |
11681 |
60.5 |
0.4 |
0.757 |
1 |
1 |
0 |
0.000 |
Average: |
64.9 |
0.5 |
0.757 |
1 |
2 |
0 |
0.000 |
13 |
23 |
|
L |
5 |
2 |
11750 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
9 |
2 |
11681 |
52.0 |
-2.1 |
0.070 |
1 |
0 |
0 |
0.000 |
24 |
|
Y |
1 |
1 |
11581 |
◊ |
X |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
11708 |
0.3 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
Average: |
26.2 |
-1.1 |
0.320 |
1 |
0 |
0 |
0.000 |
14 |
25 |
|
[OX1]Y:500 |
3 |
1 |
465 |
◊ |
Y |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
11581 |
6.4 |
-0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
1 |
1 |
11681 |
◊ |
[OX1]H:501 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
467 |
5.5 |
-0.1 |
0.346 |
0 |
0 |
0 |
0.000 |
Average: |
6.0 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
L |
1 |
1 |
11750 |
◊ |
X |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
11708 |
0.1 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|