## |
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 |
89 |
23 |
7939 |
◊ |
G |
x,y,z |
1_555 |
86 |
24 |
7748 |
830.3 |
-10.7 |
0.299 |
8 |
0 |
0 |
0.293 |
2 |
|
F |
88 |
23 |
8057 |
◊ |
E |
x,y,z |
1_555 |
87 |
24 |
7808 |
824.0 |
-10.6 |
0.284 |
8 |
0 |
0 |
0.293 |
3 |
|
B |
87 |
23 |
7876 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
7771 |
822.0 |
-10.5 |
0.331 |
7 |
0 |
0 |
0.293 |
4 |
|
D |
90 |
23 |
7966 |
◊ |
C |
x,y,z |
1_555 |
86 |
22 |
7812 |
818.9 |
-9.6 |
0.348 |
8 |
0 |
0 |
0.293 |
Average: |
823.8 |
-10.3 |
0.316 |
8 |
0 |
0 |
0.293 |
2 |
5 |
|
H |
81 |
19 |
7939 |
◊ |
E |
x,y,z |
1_555 |
67 |
16 |
7808 |
675.3 |
-5.3 |
0.576 |
8 |
2 |
0 |
0.162 |
6 |
|
B |
80 |
20 |
7876 |
◊ |
C |
x,y,z |
1_555 |
68 |
17 |
7812 |
670.3 |
-5.8 |
0.578 |
7 |
0 |
0 |
0.162 |
7 |
|
D |
80 |
18 |
7966 |
◊ |
A |
x,y,z |
1_555 |
70 |
16 |
7771 |
666.8 |
-6.1 |
0.532 |
7 |
0 |
0 |
0.162 |
8 |
|
F |
78 |
19 |
8057 |
◊ |
G |
x,y,z |
1_555 |
63 |
16 |
7748 |
662.6 |
-5.9 |
0.515 |
7 |
0 |
0 |
0.162 |
Average: |
668.7 |
-5.8 |
0.550 |
7 |
1 |
0 |
0.162 |
3 |
9 |
|
[HNI]G:201 |
43 |
1 |
836 |
f |
G |
x,y,z |
1_555 |
72 |
27 |
7748 |
599.0 |
-19.4 |
0.358 |
1 |
0 |
0 |
0.426 |
10 |
|
[HNI]A:201 |
43 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
68 |
27 |
7771 |
594.9 |
-19.1 |
0.320 |
1 |
0 |
0 |
0.426 |
11 |
|
[HNI]C:201 |
43 |
1 |
835 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
7812 |
594.2 |
-19.7 |
0.298 |
1 |
0 |
0 |
0.426 |
12 |
|
[HNI]E:201 |
43 |
1 |
830 |
f |
E |
x,y,z |
1_555 |
71 |
27 |
7808 |
586.3 |
-19.1 |
0.308 |
2 |
0 |
0 |
0.426 |
Average: |
593.6 |
-19.3 |
0.321 |
1 |
0 |
0 |
0.426 |
4 |
13 |
|
[HNI]B:201 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
63 |
24 |
7876 |
563.9 |
-17.7 |
0.299 |
0 |
0 |
0 |
0.363 |
14 |
|
[HNI]H:502 |
43 |
1 |
833 |
f |
H |
x,y,z |
1_555 |
63 |
23 |
7939 |
560.5 |
-17.3 |
0.265 |
0 |
0 |
0 |
0.363 |
15 |
|
[HNI]D:201 |
42 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
62 |
23 |
7966 |
557.3 |
-17.2 |
0.257 |
0 |
0 |
0 |
0.363 |
16 |
|
[HNI]F:201 |
42 |
1 |
837 |
f |
F |
x,y,z |
1_555 |
63 |
24 |
8057 |
550.3 |
-17.5 |
0.205 |
0 |
0 |
0 |
0.363 |
Average: |
558.0 |
-17.4 |
0.257 |
0 |
0 |
0 |
0.363 |
5 |
17 |
|
G |
29 |
10 |
7748 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
12 |
7812 |
294.9 |
-1.0 |
0.719 |
4 |
2 |
0 |
0.000 |
6 |
18 |
|
A |
34 |
11 |
7771 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
34 |
13 |
7876 |
289.4 |
-2.4 |
0.575 |
5 |
2 |
0 |
0.000 |
7 |
19 |
|
C |
31 |
9 |
7812 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
7771 |
283.5 |
3.9 |
0.958 |
6 |
4 |
0 |
0.000 |
20 |
|
G |
30 |
8 |
7748 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
7808 |
276.7 |
4.1 |
0.960 |
5 |
4 |
0 |
0.000 |
Average: |
280.1 |
4.0 |
0.959 |
6 |
4 |
0 |
0.000 |
8 |
21 |
|
H |
32 |
11 |
7939 |
◊ |
F |
x-1,y,z |
1_455 |
28 |
10 |
8057 |
251.8 |
0.3 |
0.671 |
4 |
1 |
0 |
0.000 |
22 |
|
B |
29 |
11 |
7876 |
◊ |
D |
x-1,y,z |
1_455 |
32 |
9 |
7966 |
242.6 |
-0.7 |
0.600 |
3 |
0 |
0 |
0.000 |
Average: |
247.2 |
-0.2 |
0.635 |
4 |
1 |
0 |
0.000 |
9 |
23 |
|
H |
22 |
9 |
7939 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
8 |
7748 |
227.1 |
-0.5 |
0.653 |
0 |
1 |
0 |
0.000 |
10 |
24 |
|
A |
19 |
6 |
7771 |
◊ |
G |
x-1,y,z-1 |
1_454 |
24 |
10 |
7748 |
182.8 |
-1.0 |
0.648 |
1 |
1 |
0 |
0.000 |
11 |
25 |
|
F |
20 |
8 |
8057 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
8 |
7748 |
174.5 |
-2.8 |
0.287 |
2 |
0 |
0 |
0.000 |
12 |
26 |
|
F |
19 |
6 |
8057 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
7939 |
174.4 |
-1.7 |
0.408 |
2 |
1 |
0 |
0.000 |
13 |
27 |
|
F |
14 |
4 |
8057 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
16 |
7 |
7771 |
135.1 |
-0.1 |
0.698 |
2 |
2 |
0 |
0.000 |
14 |
28 |
|
H |
19 |
7 |
7939 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
8 |
7808 |
125.5 |
1.1 |
0.819 |
3 |
1 |
0 |
0.000 |
15 |
29 |
|
E |
9 |
5 |
7808 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
7812 |
121.8 |
0.8 |
0.800 |
1 |
0 |
0 |
0.000 |
16 |
30 |
|
F |
15 |
4 |
8057 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7812 |
106.5 |
-0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
G |
11 |
5 |
7748 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
4 |
7876 |
101.5 |
1.0 |
0.815 |
0 |
0 |
0 |
0.000 |
18 |
32 |
|
A |
12 |
4 |
7771 |
◊ |
[HNI]B:201 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
820 |
95.6 |
-3.8 |
0.375 |
1 |
0 |
0 |
0.000 |
19 |
33 |
|
E |
13 |
5 |
7808 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
13 |
4 |
7966 |
93.2 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
H |
8 |
3 |
7939 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
7812 |
86.3 |
-0.4 |
0.602 |
1 |
2 |
0 |
0.000 |
21 |
35 |
|
[2FU]H:501 |
4 |
1 |
228 |
c |
F |
x,y,z |
1_555 |
9 |
3 |
8057 |
79.9 |
3.5 |
0.261 |
0 |
0 |
0 |
0.000 |
36 |
|
[2FU]B:202 |
3 |
1 |
228 |
c |
B |
x,y,z |
1_555 |
5 |
2 |
7876 |
62.5 |
2.8 |
0.375 |
0 |
0 |
0 |
0.000 |
Average: |
71.2 |
3.2 |
0.318 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
C |
9 |
3 |
7812 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
7966 |
74.4 |
-0.8 |
0.463 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
D |
11 |
3 |
7966 |
◊ |
G |
x,y,z-1 |
1_554 |
5 |
2 |
7748 |
69.9 |
-0.5 |
0.571 |
1 |
1 |
0 |
0.000 |
24 |
39 |
|
[HNI]E:201 |
5 |
1 |
830 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7812 |
68.2 |
-3.8 |
0.277 |
1 |
0 |
0 |
0.000 |
25 |
40 |
|
[2FU]H:501 |
3 |
1 |
228 |
cf |
H |
x,y,z |
1_555 |
5 |
3 |
7939 |
68.1 |
3.3 |
0.341 |
1 |
0 |
0 |
0.000 |
41 |
|
[2FU]B:202 |
3 |
1 |
228 |
cf |
D |
x,y,z |
1_555 |
7 |
5 |
7966 |
66.6 |
3.1 |
0.375 |
0 |
0 |
0 |
0.000 |
Average: |
67.3 |
3.2 |
0.358 |
1 |
0 |
0 |
0.000 |
26 |
42 |
|
A |
6 |
3 |
7771 |
◊ |
[HNI]G:201 |
x-1,y,z-1 |
1_454 |
5 |
1 |
836 |
42.9 |
-2.0 |
0.525 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
C |
4 |
2 |
7812 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
7876 |
41.2 |
0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
D |
2 |
2 |
7966 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
7966 |
33.5 |
-0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
H |
5 |
3 |
7939 |
◊ |
F |
x,y,z |
1_555 |
5 |
4 |
8057 |
32.7 |
0.6 |
0.745 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
5 |
3 |
7966 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7876 |
29.4 |
0.9 |
0.846 |
0 |
0 |
0 |
0.000 |
Average: |
31.0 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
E |
2 |
1 |
7808 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
7876 |
25.7 |
-0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
[2FU]H:501 |
2 |
1 |
228 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7748 |
8.5 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
32 |
49 |
|
[HNI]C:201 |
1 |
1 |
835 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7876 |
4.2 |
0.1 |
0.843 |
0 |
0 |
0 |
0.000 |
50 |
|
[HNI]G:201 |
1 |
1 |
836 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8057 |
3.9 |
0.1 |
0.844 |
0 |
0 |
0 |
0.000 |
51 |
|
[HNI]A:201 |
1 |
1 |
831 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7966 |
2.7 |
0.1 |
0.827 |
0 |
0 |
0 |
0.000 |
52 |
|
[HNI]E:201 |
1 |
1 |
830 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7939 |
0.3 |
0.0 |
0.813 |
0 |
0 |
0 |
0.000 |
Average: |
2.8 |
0.1 |
0.832 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
F |
1 |
1 |
8057 |
◊ |
[HNI]C:201 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
835 |
1.3 |
-0.0 |
0.806 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
F |
1 |
1 |
8057 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7876 |
1.2 |
0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|