## |
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 |
100 |
11 |
4329 |
◊ |
A |
x,y,z |
1_555 |
112 |
37 |
17764 |
963.8 |
-18.6 |
0.375 |
19 |
0 |
0 |
0.535 |
2 |
|
G |
105 |
11 |
4246 |
◊ |
F |
x,y,z |
1_555 |
116 |
37 |
17457 |
925.7 |
-18.1 |
0.409 |
18 |
0 |
0 |
0.535 |
Average: |
944.8 |
-18.4 |
0.392 |
19 |
0 |
0 |
0.535 |
2 |
3 |
|
C |
62 |
15 |
4098 |
◊ |
B |
x,y,z |
1_555 |
66 |
15 |
4329 |
651.1 |
-9.7 |
0.607 |
46 |
0 |
0 |
1.000 |
3 |
4 |
|
H |
61 |
14 |
3301 |
◊ |
G |
x,y,z |
1_555 |
62 |
15 |
4246 |
634.9 |
-10.8 |
0.580 |
44 |
0 |
0 |
1.000 |
4 |
5 |
|
A |
71 |
25 |
17764 |
x |
A |
-x+3,y-1/2,-z+2 |
2_847 |
69 |
22 |
17764 |
629.2 |
-2.2 |
0.592 |
4 |
2 |
0 |
0.000 |
6 |
|
F |
64 |
23 |
17457 |
x |
F |
-x+2,y-1/2,-z+3 |
2_748 |
68 |
22 |
17457 |
613.3 |
-5.6 |
0.337 |
4 |
1 |
0 |
0.000 |
Average: |
621.2 |
-3.9 |
0.464 |
4 |
2 |
0 |
0.000 |
5 |
7 |
|
C |
66 |
9 |
4098 |
◊ |
A |
x,y,z |
1_555 |
66 |
24 |
17764 |
561.8 |
-13.8 |
0.323 |
13 |
0 |
0 |
0.432 |
6 |
8 |
|
C |
54 |
4 |
4098 |
◊ |
F |
-x+3,y-1/2,-z+3 |
2_848 |
64 |
17 |
17457 |
558.5 |
1.0 |
0.843 |
10 |
0 |
0 |
0.057 |
7 |
9 |
|
H |
66 |
9 |
3301 |
◊ |
F |
x,y,z |
1_555 |
67 |
25 |
17457 |
540.8 |
-14.1 |
0.334 |
15 |
0 |
0 |
0.463 |
8 |
10 |
|
[TTP]F:900 |
26 |
1 |
543 |
f |
F |
x,y,z |
1_555 |
49 |
19 |
17457 |
279.7 |
-0.4 |
0.668 |
10 |
0 |
0 |
0.134 |
11 |
|
[TTP]A:900 |
27 |
1 |
545 |
f |
A |
x,y,z |
1_555 |
46 |
18 |
17764 |
273.9 |
-1.2 |
0.634 |
11 |
0 |
0 |
0.134 |
Average: |
276.8 |
-0.8 |
0.651 |
11 |
0 |
0 |
0.134 |
9 |
12 |
|
F |
28 |
7 |
17457 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
17764 |
213.8 |
0.4 |
0.715 |
4 |
5 |
0 |
0.000 |
10 |
13 |
|
F |
20 |
7 |
17457 |
◊ |
A |
-x+3,y-1/2,-z+3 |
2_848 |
22 |
8 |
17764 |
184.8 |
-0.5 |
0.611 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
C |
21 |
5 |
4098 |
◊ |
A |
-x+3,y-1/2,-z+2 |
2_847 |
22 |
7 |
17764 |
169.9 |
-4.8 |
0.311 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
H |
19 |
4 |
3301 |
◊ |
F |
-x+2,y-1/2,-z+3 |
2_748 |
18 |
5 |
17457 |
161.0 |
-4.3 |
0.291 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
G |
16 |
3 |
4246 |
◊ |
F |
-x+3,y-1/2,-z+3 |
2_848 |
18 |
6 |
17457 |
157.2 |
-3.0 |
0.439 |
5 |
0 |
0 |
0.000 |
14 |
17 |
|
B |
22 |
5 |
4329 |
◊ |
F |
-x+3,y-1/2,-z+3 |
2_848 |
16 |
6 |
17457 |
153.5 |
-1.7 |
0.615 |
3 |
0 |
0 |
0.050 |
15 |
18 |
|
G |
14 |
4 |
4246 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17764 |
112.8 |
-3.2 |
0.303 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
C |
17 |
2 |
4098 |
◊ |
G |
-x+3,y-1/2,-z+3 |
2_848 |
15 |
3 |
4246 |
106.3 |
-0.4 |
0.644 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[TTP]A:900 |
16 |
1 |
545 |
◊ |
C |
x,y,z |
1_555 |
14 |
1 |
4098 |
101.0 |
1.0 |
0.713 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[TTP]F:900 |
16 |
1 |
543 |
◊ |
H |
x,y,z |
1_555 |
14 |
1 |
3301 |
99.9 |
1.1 |
0.725 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
H |
9 |
2 |
3301 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17764 |
95.0 |
-1.3 |
0.531 |
3 |
0 |
0 |
0.000 |
20 |
23 |
|
B |
7 |
1 |
4329 |
x |
B |
x,y-1,z |
1_545 |
8 |
2 |
4329 |
73.3 |
-2.3 |
0.371 |
0 |
0 |
0 |
0.000 |
24 |
|
G |
6 |
1 |
4246 |
x |
G |
x,y-1,z |
1_545 |
5 |
2 |
4246 |
55.5 |
-0.6 |
0.489 |
1 |
0 |
0 |
0.000 |
Average: |
64.4 |
-1.5 |
0.430 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[TTP]F:900 |
6 |
1 |
543 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
4246 |
60.3 |
1.3 |
0.731 |
2 |
0 |
0 |
0.000 |
26 |
|
[TTP]A:900 |
6 |
1 |
545 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4329 |
60.1 |
1.3 |
0.730 |
2 |
0 |
0 |
0.000 |
Average: |
60.2 |
1.3 |
0.731 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
A |
6 |
2 |
17764 |
x |
A |
x,y-1,z |
1_545 |
7 |
3 |
17764 |
59.9 |
-1.5 |
0.238 |
0 |
0 |
0 |
0.000 |
28 |
|
F |
4 |
1 |
17457 |
x |
F |
x,y-1,z |
1_545 |
2 |
1 |
17457 |
32.2 |
-0.9 |
0.225 |
0 |
0 |
0 |
0.000 |
Average: |
46.0 |
-1.2 |
0.232 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
F |
7 |
3 |
17457 |
◊ |
B |
-x+3,y-1/2,-z+3 |
2_848 |
5 |
1 |
4329 |
42.6 |
1.1 |
0.757 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
17457 |
31.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.097 |
31 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17764 |
29.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
30.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.097 |
25 |
32 |
|
[MG]F:901 |
1 |
1 |
98 |
f |
[TTP]F:900 |
x,y,z |
1_555 |
4 |
1 |
543 |
31.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.106 |
33 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
[TTP]A:900 |
x,y,z |
1_555 |
6 |
1 |
545 |
30.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
31.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.106 |
26 |
34 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
17457 |
29.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.104 |
35 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17764 |
28.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
29.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
27 |
36 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[TTP]A:900 |
x,y,z |
1_555 |
4 |
1 |
545 |
23.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.062 |
37 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[TTP]F:900 |
x,y,z |
1_555 |
4 |
1 |
543 |
22.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
23.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.062 |
28 |
38 |
|
[MG]F:902 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
3301 |
22.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
29 |
39 |
|
[MG]A:902 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
4098 |
19.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.038 |
30 |
40 |
|
[MG]A:902 |
1 |
1 |
98 |
f |
[MG]A:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.053 |
31 |
41 |
|
C |
1 |
1 |
4098 |
◊ |
[TTP]F:900 |
-x+3,y-1/2,-z+3 |
2_848 |
3 |
1 |
543 |
11.2 |
-0.5 |
0.322 |
0 |
0 |
0 |
0.008 |
32 |
42 |
|
[MG]F:902 |
1 |
1 |
98 |
f |
[MG]F:901 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.047 |
33 |
43 |
|
C |
1 |
1 |
4098 |
◊ |
H |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
3301 |
9.3 |
-1.1 |
0.179 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
A |
2 |
1 |
17764 |
◊ |
F |
x,y,z-1 |
1_554 |
2 |
1 |
17457 |
8.3 |
0.4 |
0.810 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[MG]A:901 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4098 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|