## |
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 |
|
C |
184 |
58 |
23530 |
◊ |
A |
x,y,z |
1_555 |
190 |
62 |
23263 |
1605.8 |
-5.4 |
0.359 |
15 |
3 |
0 |
0.210 |
2 |
|
H |
185 |
57 |
23482 |
◊ |
F |
x,y,z |
1_555 |
180 |
57 |
23063 |
1574.8 |
-3.1 |
0.450 |
17 |
3 |
0 |
0.210 |
Average: |
1590.3 |
-4.2 |
0.405 |
16 |
3 |
0 |
0.210 |
2 |
3 |
|
E |
151 |
37 |
8098 |
◊ |
C |
x,y,z |
1_555 |
137 |
39 |
23530 |
1363.2 |
-14.7 |
0.186 |
15 |
3 |
0 |
0.530 |
4 |
|
J |
146 |
35 |
11308 |
◊ |
H |
x,y,z |
1_555 |
136 |
37 |
23482 |
1344.4 |
-14.3 |
0.171 |
14 |
4 |
0 |
0.530 |
Average: |
1353.8 |
-14.5 |
0.178 |
15 |
4 |
0 |
0.530 |
3 |
5 |
|
J |
94 |
21 |
11308 |
◊ |
F |
x,y,z |
1_555 |
119 |
39 |
23063 |
1002.6 |
-11.3 |
0.180 |
7 |
0 |
0 |
0.433 |
6 |
|
E |
41 |
11 |
8098 |
◊ |
A |
x,y,z |
1_555 |
55 |
19 |
23263 |
437.9 |
-8.3 |
0.088 |
2 |
0 |
0 |
0.433 |
Average: |
720.3 |
-9.8 |
0.134 |
5 |
0 |
0 |
0.433 |
4 |
7 |
|
M |
94 |
25 |
7450 |
◊ |
J |
x,y,z |
1_555 |
55 |
8 |
11308 |
792.7 |
-10.5 |
0.246 |
13 |
0 |
0 |
1.000 |
5 |
8 |
|
L |
79 |
23 |
11035 |
◊ |
J |
x,y,z |
1_555 |
47 |
8 |
11308 |
674.0 |
-8.9 |
0.209 |
3 |
0 |
0 |
0.322 |
6 |
9 |
|
L |
73 |
25 |
11035 |
◊ |
H |
x,y,z |
1_555 |
71 |
22 |
23482 |
623.4 |
-2.1 |
0.501 |
3 |
4 |
0 |
0.037 |
7 |
10 |
|
C |
62 |
18 |
23530 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
66 |
18 |
23263 |
606.3 |
-8.0 |
0.077 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
H |
61 |
17 |
23482 |
◊ |
H |
x,x-y+1,-z-1/6 |
12_564 |
62 |
17 |
23482 |
602.4 |
-8.0 |
0.076 |
5 |
0 |
0 |
0.000 |
9 |
12 |
|
F |
59 |
20 |
23063 |
◊ |
F |
x,x-y,-z-1/6 |
12_554 |
59 |
20 |
23063 |
528.1 |
-6.5 |
0.123 |
5 |
0 |
0 |
0.000 |
10 |
13 |
|
M |
50 |
15 |
7450 |
◊ |
L |
x,y,z |
1_555 |
56 |
15 |
11035 |
520.6 |
-4.4 |
0.487 |
2 |
1 |
0 |
0.169 |
11 |
14 |
|
J |
40 |
12 |
11308 |
◊ |
C |
x,y,z |
1_555 |
49 |
16 |
23530 |
387.8 |
2.2 |
0.816 |
3 |
1 |
0 |
0.000 |
12 |
15 |
|
L |
40 |
17 |
11035 |
◊ |
F |
x,y,z |
1_555 |
43 |
15 |
23063 |
343.9 |
3.0 |
0.821 |
7 |
2 |
0 |
0.006 |
13 |
16 |
|
[AGS]F:2003 |
30 |
1 |
662 |
f |
F |
x,y,z |
1_555 |
44 |
18 |
23063 |
332.5 |
-5.4 |
0.507 |
13 |
0 |
0 |
0.422 |
17 |
|
[AGS]A:2001 |
30 |
1 |
659 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
23263 |
331.0 |
-5.5 |
0.494 |
14 |
0 |
0 |
0.422 |
18 |
|
[AGS]H:2004 |
30 |
1 |
652 |
f |
H |
x,y,z |
1_555 |
46 |
17 |
23482 |
324.6 |
-5.0 |
0.500 |
13 |
0 |
0 |
0.422 |
19 |
|
[AGS]C:2002 |
30 |
1 |
650 |
f |
C |
x,y,z |
1_555 |
49 |
19 |
23530 |
318.7 |
-5.8 |
0.469 |
17 |
0 |
0 |
0.422 |
Average: |
326.7 |
-5.4 |
0.493 |
14 |
0 |
0 |
0.422 |
14 |
20 |
|
J |
33 |
10 |
11308 |
◊ |
E |
-y,-x,-z+1/6 |
10_555 |
32 |
11 |
8098 |
308.3 |
1.3 |
0.872 |
2 |
2 |
0 |
0.000 |
15 |
21 |
|
[AGS]A:2001 |
21 |
1 |
659 |
◊ |
C |
x,y,z |
1_555 |
32 |
11 |
23530 |
214.4 |
0.7 |
0.675 |
3 |
0 |
0 |
0.072 |
22 |
|
[AGS]H:2004 |
23 |
1 |
652 |
◊ |
F |
x,y,z |
1_555 |
29 |
11 |
23063 |
213.3 |
0.5 |
0.679 |
6 |
0 |
0 |
0.072 |
23 |
|
[AGS]F:2003 |
22 |
1 |
662 |
◊ |
H |
x,y,z |
1_555 |
31 |
13 |
23482 |
211.0 |
0.3 |
0.691 |
5 |
0 |
0 |
0.072 |
24 |
|
[AGS]C:2002 |
20 |
1 |
650 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
23263 |
210.6 |
1.5 |
0.760 |
4 |
0 |
0 |
0.072 |
Average: |
212.3 |
0.7 |
0.701 |
5 |
0 |
0 |
0.072 |
16 |
25 |
|
E |
22 |
8 |
8098 |
◊ |
C |
-y,-x,-z+1/6 |
10_555 |
18 |
6 |
23530 |
202.4 |
-0.2 |
0.647 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
F |
12 |
4 |
23063 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
23263 |
146.7 |
-0.8 |
0.448 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
H |
18 |
10 |
23482 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
23263 |
129.1 |
0.6 |
0.667 |
2 |
0 |
0 |
0.000 |
19 |
28 |
|
H |
16 |
4 |
23482 |
◊ |
A |
x-y,x,z-1/6 |
6_554 |
19 |
6 |
23263 |
114.4 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
H |
14 |
5 |
23482 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
23530 |
113.1 |
0.7 |
0.637 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
F |
11 |
6 |
23063 |
◊ |
C |
x-y,x,z-1/6 |
6_554 |
7 |
4 |
23530 |
75.4 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
L |
9 |
4 |
11035 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
23263 |
62.2 |
0.6 |
0.698 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
F |
11 |
4 |
23063 |
◊ |
A |
x-y,x,z-1/6 |
6_554 |
7 |
4 |
23263 |
41.5 |
0.5 |
0.664 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[MG]A:2011 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
23263 |
35.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.126 |
34 |
|
[MG]H:2014 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
23482 |
33.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.126 |
35 |
|
[MG]A:2012 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
23530 |
33.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.126 |
36 |
|
[MG]F:2013 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
23063 |
33.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.126 |
Average: |
33.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.126 |
25 |
37 |
|
C |
4 |
2 |
23530 |
◊ |
C |
-y,-x,-z+1/6 |
10_555 |
4 |
2 |
23530 |
32.3 |
-0.6 |
0.311 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[MG]H:2014 |
1 |
1 |
98 |
f |
[AGS]H:2004 |
x,y,z |
1_555 |
6 |
1 |
652 |
31.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.145 |
39 |
|
[MG]F:2013 |
1 |
1 |
98 |
f |
[AGS]F:2003 |
x,y,z |
1_555 |
6 |
1 |
662 |
31.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.145 |
40 |
|
[MG]A:2011 |
1 |
1 |
98 |
f |
[AGS]A:2001 |
x,y,z |
1_555 |
7 |
1 |
659 |
31.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.145 |
41 |
|
[MG]A:2012 |
1 |
1 |
98 |
f |
[AGS]C:2002 |
x,y,z |
1_555 |
4 |
1 |
650 |
31.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
31.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.145 |
27 |
42 |
|
[MG]A:2012 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
23263 |
24.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.097 |
43 |
|
[MG]A:2011 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
23530 |
24.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.097 |
44 |
|
[MG]H:2014 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
23063 |
22.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.097 |
45 |
|
[MG]F:2013 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
23482 |
22.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
23.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.097 |
28 |
46 |
|
M |
2 |
1 |
7450 |
◊ |
C |
x,x-y+1,-z-1/6 |
12_564 |
6 |
3 |
23530 |
22.7 |
0.9 |
0.720 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
H |
4 |
2 |
23482 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
3 |
2 |
23263 |
21.4 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
F |
5 |
2 |
23063 |
◊ |
E |
x-y,x,z-1/6 |
6_554 |
4 |
2 |
8098 |
17.6 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
F |
2 |
2 |
23063 |
◊ |
F |
x-y,-y,-z |
8_555 |
2 |
2 |
23063 |
12.4 |
-0.4 |
0.261 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
E |
2 |
2 |
8098 |
◊ |
E |
-y,-x,-z+1/6 |
10_555 |
2 |
2 |
8098 |
9.1 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
33 |
51 |
|
A |
3 |
2 |
23263 |
◊ |
A |
-y+1,-x+1,-z+1/6 |
10_665 |
3 |
2 |
23263 |
7.9 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
|