## |
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 |
94 |
10 |
4103 |
◊ |
A |
x,y,z |
1_555 |
106 |
35 |
17739 |
914.8 |
-14.5 |
0.424 |
21 |
0 |
0 |
0.568 |
2 |
|
G |
98 |
10 |
4089 |
◊ |
F |
x,y,z |
1_555 |
104 |
36 |
17593 |
893.4 |
-14.0 |
0.471 |
18 |
0 |
0 |
0.568 |
Average: |
904.1 |
-14.3 |
0.448 |
20 |
0 |
0 |
0.568 |
2 |
3 |
|
H |
85 |
10 |
3527 |
◊ |
F |
x,y,z |
1_555 |
100 |
34 |
17593 |
703.5 |
-14.1 |
0.458 |
17 |
0 |
0 |
0.482 |
3 |
4 |
|
F |
73 |
25 |
17593 |
x |
F |
-x,y-1/2,-z-1 |
2_544 |
73 |
24 |
17593 |
678.0 |
-3.4 |
0.519 |
4 |
1 |
0 |
0.000 |
5 |
|
A |
67 |
24 |
17739 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
69 |
24 |
17739 |
627.3 |
-3.1 |
0.486 |
3 |
1 |
0 |
0.000 |
Average: |
652.6 |
-3.3 |
0.503 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
87 |
10 |
4256 |
◊ |
A |
x,y,z |
1_555 |
99 |
34 |
17739 |
677.3 |
-12.1 |
0.502 |
19 |
0 |
0 |
0.410 |
5 |
7 |
|
C |
68 |
16 |
4256 |
◊ |
B |
x,y,z |
1_555 |
66 |
15 |
4103 |
672.8 |
-10.2 |
0.603 |
45 |
0 |
0 |
1.000 |
6 |
8 |
|
H |
64 |
15 |
3527 |
◊ |
G |
x,y,z |
1_555 |
68 |
15 |
4089 |
666.4 |
-11.1 |
0.582 |
47 |
0 |
0 |
1.000 |
7 |
9 |
|
C |
56 |
4 |
4256 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
70 |
19 |
17593 |
531.0 |
-1.0 |
0.786 |
7 |
0 |
0 |
0.000 |
8 |
10 |
|
F |
28 |
7 |
17593 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
17739 |
223.6 |
-0.3 |
0.570 |
4 |
3 |
0 |
0.000 |
9 |
11 |
|
[TTP]C:901 |
25 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
49 |
19 |
17739 |
203.6 |
-0.7 |
0.581 |
10 |
0 |
0 |
0.109 |
10 |
12 |
|
H |
27 |
4 |
3527 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
25 |
9 |
17593 |
200.6 |
-5.8 |
0.360 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
F |
19 |
6 |
17593 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
22 |
8 |
17739 |
184.0 |
-0.5 |
0.575 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
C |
22 |
4 |
4256 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
19 |
6 |
17739 |
175.1 |
-4.3 |
0.323 |
3 |
0 |
0 |
0.000 |
13 |
15 |
|
G |
15 |
3 |
4089 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
19 |
7 |
17593 |
160.0 |
-4.1 |
0.349 |
7 |
0 |
0 |
0.000 |
14 |
16 |
|
C |
19 |
2 |
4256 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
25 |
4 |
4089 |
158.0 |
0.8 |
0.740 |
1 |
0 |
0 |
0.000 |
15 |
17 |
|
[TTP]C:901 |
23 |
1 |
543 |
◊ |
C |
x,y,z |
1_555 |
22 |
2 |
4256 |
133.0 |
-0.4 |
0.652 |
0 |
0 |
0 |
0.008 |
16 |
18 |
|
B |
15 |
4 |
4103 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
4 |
17593 |
128.4 |
-1.8 |
0.513 |
4 |
0 |
0 |
0.000 |
17 |
19 |
|
[DPO]F:903 |
9 |
1 |
265 |
f |
F |
x,y,z |
1_555 |
24 |
13 |
17593 |
123.5 |
-0.3 |
0.478 |
6 |
0 |
0 |
0.076 |
18 |
20 |
|
G |
15 |
4 |
4089 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17739 |
110.6 |
-2.7 |
0.434 |
2 |
0 |
0 |
0.000 |
19 |
21 |
|
H |
11 |
3 |
3527 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17739 |
97.6 |
-1.2 |
0.563 |
3 |
0 |
0 |
0.000 |
20 |
22 |
|
[DPO]A:903 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
21 |
13 |
17739 |
93.0 |
0.7 |
0.635 |
6 |
0 |
0 |
0.041 |
21 |
23 |
|
[TTP]C:901 |
14 |
1 |
543 |
f |
[DPO]A:903 |
x,y,z |
1_555 |
9 |
1 |
265 |
77.0 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.014 |
22 |
24 |
|
A |
4 |
1 |
17739 |
x |
A |
x,y-1,z |
1_545 |
8 |
3 |
17739 |
70.5 |
-2.0 |
0.102 |
0 |
0 |
0 |
0.000 |
25 |
|
F |
3 |
1 |
17593 |
x |
F |
x,y-1,z |
1_545 |
2 |
1 |
17593 |
40.5 |
-0.5 |
0.327 |
0 |
0 |
0 |
0.000 |
Average: |
55.5 |
-1.2 |
0.215 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[DPO]F:903 |
5 |
1 |
265 |
◊ |
H |
x,y,z |
1_555 |
9 |
1 |
3527 |
58.3 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
F |
9 |
3 |
17593 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
4103 |
49.6 |
1.0 |
0.694 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
[TTP]C:901 |
6 |
1 |
543 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4103 |
48.2 |
1.1 |
0.701 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[DPO]A:903 |
5 |
1 |
265 |
◊ |
C |
x,y,z |
1_555 |
9 |
1 |
4256 |
41.0 |
-0.1 |
0.490 |
0 |
0 |
0 |
0.003 |
27 |
30 |
|
G |
6 |
1 |
4089 |
x |
G |
x,y-1,z |
1_545 |
4 |
1 |
4089 |
39.5 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
2 |
1 |
4103 |
x |
B |
x,y-1,z |
1_545 |
5 |
1 |
4103 |
11.3 |
-0.9 |
0.393 |
0 |
0 |
0 |
0.000 |
Average: |
25.4 |
-0.5 |
0.467 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
17593 |
29.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.120 |
33 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
17739 |
24.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
27.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.120 |
29 |
34 |
|
[MG]F:902 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
3527 |
28.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.081 |
30 |
35 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
17593 |
27.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.104 |
36 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
17739 |
19.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
23.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.104 |
31 |
37 |
|
[DPO]F:903 |
4 |
1 |
265 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.062 |
32 |
38 |
|
[MG]A:902 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
4256 |
22.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.056 |
33 |
39 |
|
[MG]F:901 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3527 |
21.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.063 |
34 |
40 |
|
[TTP]C:901 |
5 |
1 |
543 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.068 |
35 |
41 |
|
[TTP]C:901 |
3 |
1 |
543 |
f |
[MG]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.052 |
36 |
42 |
|
C |
1 |
1 |
4256 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
3527 |
17.5 |
-1.8 |
0.234 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[DPO]A:903 |
4 |
1 |
265 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.035 |
38 |
44 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
4256 |
15.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
39 |
45 |
|
C |
2 |
1 |
4256 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
17739 |
15.7 |
-0.6 |
0.321 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.056 |
41 |
47 |
|
F |
2 |
1 |
17593 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
17739 |
10.7 |
0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.037 |
43 |
49 |
|
[DPO]F:903 |
3 |
1 |
265 |
f |
[MG]F:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
44 |
50 |
|
F |
1 |
1 |
17593 |
x |
F |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
17593 |
4.7 |
0.3 |
0.861 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[DPO]A:903 |
3 |
1 |
265 |
f |
[MG]A:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
46 |
52 |
|
B |
1 |
1 |
4103 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
17739 |
3.0 |
-0.2 |
0.296 |
0 |
0 |
0 |
0.000 |
|