## |
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 |
|
I |
124 |
30 |
15533 |
◊ |
I |
-x+1,-y,z |
2_655 |
124 |
30 |
15533 |
1088.9 |
-9.1 |
0.298 |
4 |
4 |
0 |
0.116 |
2 |
|
J |
124 |
30 |
15445 |
◊ |
J |
-x+1,-y,z |
2_655 |
126 |
30 |
15445 |
1085.9 |
-8.2 |
0.351 |
6 |
6 |
0 |
0.116 |
3 |
|
G |
123 |
30 |
15552 |
◊ |
E |
x,y,z |
1_555 |
122 |
30 |
15533 |
1064.5 |
-8.3 |
0.321 |
6 |
5 |
0 |
0.116 |
4 |
|
C |
127 |
31 |
15476 |
◊ |
B |
x,y,z |
1_555 |
126 |
31 |
15543 |
1058.4 |
-8.4 |
0.331 |
6 |
4 |
0 |
0.116 |
5 |
|
H |
127 |
31 |
15488 |
◊ |
F |
x,y,z |
1_555 |
125 |
29 |
15502 |
1056.8 |
-7.6 |
0.370 |
6 |
4 |
0 |
0.116 |
6 |
|
D |
129 |
31 |
15469 |
◊ |
A |
x,y,z |
1_555 |
126 |
32 |
15540 |
1053.2 |
-7.8 |
0.363 |
5 |
7 |
0 |
0.116 |
Average: |
1068.0 |
-8.2 |
0.339 |
6 |
5 |
0 |
0.116 |
2 |
7 |
|
D |
110 |
30 |
15469 |
◊ |
C |
x,y,z |
1_555 |
111 |
30 |
15476 |
1087.7 |
-13.3 |
0.073 |
15 |
4 |
0 |
0.231 |
8 |
|
F |
111 |
29 |
15502 |
◊ |
E |
x,y,z |
1_555 |
113 |
29 |
15533 |
1083.0 |
-11.4 |
0.132 |
12 |
4 |
0 |
0.231 |
9 |
|
J |
109 |
28 |
15445 |
◊ |
I |
x,y,z |
1_555 |
111 |
29 |
15533 |
1081.7 |
-12.8 |
0.089 |
12 |
4 |
0 |
0.231 |
10 |
|
H |
113 |
30 |
15488 |
◊ |
G |
x,y,z |
1_555 |
109 |
28 |
15552 |
1081.4 |
-11.6 |
0.123 |
10 |
4 |
0 |
0.231 |
11 |
|
B |
110 |
30 |
15543 |
◊ |
A |
x,y,z |
1_555 |
110 |
28 |
15540 |
1060.0 |
-12.6 |
0.085 |
14 |
3 |
0 |
0.231 |
Average: |
1078.8 |
-12.3 |
0.101 |
13 |
4 |
0 |
0.231 |
3 |
12 |
|
J |
68 |
20 |
15445 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
3_546 |
66 |
20 |
15476 |
589.0 |
-1.5 |
0.612 |
4 |
5 |
0 |
0.000 |
4 |
13 |
|
E |
63 |
17 |
15533 |
◊ |
A |
x,y,z |
1_555 |
60 |
19 |
15540 |
547.8 |
-2.3 |
0.516 |
6 |
0 |
0 |
0.000 |
14 |
|
I |
52 |
15 |
15533 |
◊ |
H |
x,y,z |
1_555 |
54 |
16 |
15488 |
509.1 |
-0.2 |
0.709 |
6 |
0 |
0 |
0.000 |
Average: |
528.4 |
-1.3 |
0.612 |
6 |
0 |
0 |
0.000 |
5 |
15 |
|
A |
53 |
13 |
15540 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
60 |
16 |
15543 |
513.7 |
0.7 |
0.751 |
4 |
7 |
0 |
0.000 |
6 |
16 |
|
[GDX]F:400 |
37 |
1 |
713 |
f |
F |
x,y,z |
1_555 |
73 |
27 |
15502 |
512.2 |
-10.5 |
0.493 |
10 |
0 |
0 |
0.349 |
17 |
|
[GDX]D:400 |
37 |
1 |
711 |
f |
D |
x,y,z |
1_555 |
71 |
26 |
15469 |
511.5 |
-10.3 |
0.496 |
9 |
0 |
0 |
0.349 |
18 |
|
[GDX]J:400 |
37 |
1 |
710 |
f |
J |
x,y,z |
1_555 |
71 |
26 |
15445 |
511.4 |
-10.5 |
0.496 |
10 |
0 |
0 |
0.349 |
19 |
|
[GDX]G:400 |
37 |
1 |
714 |
f |
G |
x,y,z |
1_555 |
73 |
26 |
15552 |
511.4 |
-10.4 |
0.496 |
9 |
0 |
0 |
0.349 |
20 |
|
[GDX]H:400 |
37 |
1 |
710 |
f |
H |
x,y,z |
1_555 |
70 |
26 |
15488 |
510.5 |
-10.2 |
0.493 |
9 |
0 |
0 |
0.349 |
21 |
|
[GDX]A:400 |
37 |
1 |
713 |
f |
A |
x,y,z |
1_555 |
75 |
27 |
15540 |
509.6 |
-10.5 |
0.492 |
11 |
0 |
0 |
0.349 |
22 |
|
[GDX]E:400 |
37 |
1 |
712 |
f |
E |
x,y,z |
1_555 |
70 |
26 |
15533 |
508.5 |
-10.5 |
0.471 |
12 |
0 |
0 |
0.349 |
23 |
|
[GDX]C:400 |
37 |
1 |
709 |
f |
C |
x,y,z |
1_555 |
75 |
26 |
15476 |
508.1 |
-10.2 |
0.493 |
9 |
0 |
0 |
0.349 |
24 |
|
[GDX]I:400 |
37 |
1 |
711 |
f |
I |
x,y,z |
1_555 |
72 |
26 |
15533 |
506.8 |
-10.4 |
0.505 |
10 |
0 |
0 |
0.349 |
25 |
|
[GDX]B:400 |
39 |
1 |
710 |
f |
B |
x,y,z |
1_555 |
72 |
26 |
15543 |
506.4 |
-10.3 |
0.470 |
10 |
0 |
0 |
0.349 |
Average: |
509.6 |
-10.4 |
0.491 |
10 |
0 |
0 |
0.349 |
7 |
26 |
|
A |
45 |
14 |
15540 |
◊ |
G |
x,y,z-1 |
1_554 |
55 |
17 |
15552 |
451.4 |
-0.7 |
0.340 |
1 |
0 |
0 |
0.000 |
8 |
27 |
|
D |
49 |
14 |
15469 |
◊ |
E |
x,y,z-1 |
1_554 |
50 |
17 |
15533 |
408.5 |
-2.4 |
0.489 |
2 |
0 |
0 |
0.000 |
9 |
28 |
|
F |
29 |
8 |
15502 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
15543 |
248.5 |
-1.3 |
0.510 |
0 |
0 |
0 |
0.000 |
10 |
29 |
|
G |
25 |
8 |
15552 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
3_546 |
29 |
10 |
15476 |
218.6 |
0.2 |
0.700 |
0 |
1 |
0 |
0.000 |
11 |
30 |
|
E |
19 |
5 |
15533 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
18 |
6 |
15543 |
160.2 |
0.3 |
0.682 |
1 |
0 |
0 |
0.000 |
12 |
31 |
|
J |
15 |
4 |
15445 |
◊ |
G |
x,y,z |
1_555 |
17 |
4 |
15552 |
126.7 |
-1.3 |
0.423 |
0 |
0 |
0 |
0.000 |
13 |
32 |
|
A |
15 |
7 |
15540 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
3_546 |
9 |
3 |
15502 |
79.3 |
-1.0 |
0.386 |
0 |
0 |
0 |
0.000 |
14 |
33 |
|
[CL]C:1382 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
15476 |
78.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.264 |
34 |
|
[CL]B:1382 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
15543 |
78.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.264 |
35 |
|
[CL]E:1382 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
15533 |
78.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.264 |
36 |
|
[CL]A:1382 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15540 |
77.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.264 |
37 |
|
[CL]F:1382 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
15502 |
76.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.264 |
38 |
|
[CL]I:1382 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
16 |
9 |
15533 |
76.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.264 |
39 |
|
[CL]D:1382 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
15469 |
74.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.264 |
40 |
|
[CL]H:1382 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
9 |
15488 |
72.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.264 |
41 |
|
[CL]J:1382 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
8 |
15445 |
70.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.264 |
42 |
|
[CL]G:1382 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
14 |
8 |
15552 |
70.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.264 |
Average: |
75.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.264 |
15 |
43 |
|
D |
9 |
5 |
15469 |
◊ |
G |
x,y,z-1 |
1_554 |
10 |
5 |
15552 |
64.0 |
0.4 |
0.463 |
0 |
0 |
0 |
0.000 |
16 |
44 |
|
[MN]E:500 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
15533 |
54.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.086 |
45 |
|
[MN]I:500 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
13 |
6 |
15533 |
54.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.086 |
46 |
|
[MN]C:500 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
15476 |
54.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
47 |
|
[MN]F:500 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
15502 |
54.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
48 |
|
[MN]J:500 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
15 |
6 |
15445 |
54.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
49 |
|
[MN]D:500 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
15469 |
54.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
50 |
|
[MN]B:500 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15543 |
54.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
51 |
|
[MN]A:500 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15540 |
54.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.086 |
52 |
|
[MN]G:500 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
15552 |
54.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.086 |
53 |
|
[MN]H:500 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
15488 |
53.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
54.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.086 |
17 |
54 |
|
[MN]D:500 |
1 |
1 |
123 |
cf |
[GDX]D:400 |
x,y,z |
1_555 |
8 |
1 |
711 |
42.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.097 |
55 |
|
[MN]A:500 |
1 |
1 |
123 |
f |
[GDX]A:400 |
x,y,z |
1_555 |
8 |
1 |
713 |
42.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.097 |
56 |
|
[MN]J:500 |
1 |
1 |
123 |
cf |
[GDX]J:400 |
x,y,z |
1_555 |
7 |
1 |
710 |
42.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.097 |
57 |
|
[MN]F:500 |
1 |
1 |
123 |
f |
[GDX]F:400 |
x,y,z |
1_555 |
7 |
1 |
713 |
42.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.097 |
58 |
|
[MN]B:500 |
1 |
1 |
123 |
f |
[GDX]B:400 |
x,y,z |
1_555 |
8 |
1 |
710 |
42.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.097 |
59 |
|
[MN]G:500 |
1 |
1 |
123 |
f |
[GDX]G:400 |
x,y,z |
1_555 |
8 |
1 |
714 |
42.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.097 |
60 |
|
[MN]C:500 |
1 |
1 |
123 |
f |
[GDX]C:400 |
x,y,z |
1_555 |
7 |
1 |
709 |
42.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.097 |
61 |
|
[MN]H:500 |
1 |
1 |
123 |
f |
[GDX]H:400 |
x,y,z |
1_555 |
7 |
1 |
710 |
41.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.097 |
62 |
|
[MN]I:500 |
1 |
1 |
123 |
f |
[GDX]I:400 |
x,y,z |
1_555 |
6 |
1 |
711 |
41.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.097 |
63 |
|
[MN]E:500 |
1 |
1 |
123 |
f |
[GDX]E:400 |
x,y,z |
1_555 |
7 |
1 |
712 |
41.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
42.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.097 |
18 |
64 |
|
C |
1 |
1 |
15476 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15540 |
14.6 |
-0.5 |
0.144 |
0 |
0 |
0 |
0.004 |
65 |
|
H |
1 |
1 |
15488 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
15533 |
14.2 |
-0.5 |
0.222 |
0 |
0 |
0 |
0.004 |
66 |
|
D |
2 |
2 |
15469 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15543 |
12.1 |
-0.4 |
0.220 |
0 |
0 |
0 |
0.004 |
67 |
|
J |
2 |
2 |
15445 |
◊ |
I |
-x+1,-y,z |
2_655 |
1 |
1 |
15533 |
11.4 |
-0.4 |
0.239 |
0 |
0 |
0 |
0.004 |
68 |
|
G |
1 |
1 |
15552 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
15502 |
10.0 |
-0.3 |
0.194 |
0 |
0 |
0 |
0.004 |
Average: |
12.5 |
-0.4 |
0.204 |
0 |
0 |
0 |
0.004 |
19 |
69 |
|
[CL]A:1382 |
1 |
1 |
125 |
f |
[GDX]A:400 |
x,y,z |
1_555 |
2 |
1 |
713 |
13.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.027 |
70 |
|
[CL]C:1382 |
1 |
1 |
125 |
f |
[GDX]C:400 |
x,y,z |
1_555 |
2 |
1 |
709 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.027 |
71 |
|
[CL]B:1382 |
1 |
1 |
125 |
f |
[GDX]B:400 |
x,y,z |
1_555 |
2 |
1 |
710 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.027 |
72 |
|
[CL]D:1382 |
1 |
1 |
125 |
f |
[GDX]D:400 |
x,y,z |
1_555 |
2 |
1 |
711 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.027 |
73 |
|
[CL]I:1382 |
1 |
1 |
125 |
f |
[GDX]I:400 |
x,y,z |
1_555 |
2 |
1 |
711 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.027 |
74 |
|
[CL]E:1382 |
1 |
1 |
125 |
f |
[GDX]E:400 |
x,y,z |
1_555 |
2 |
1 |
712 |
10.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.027 |
75 |
|
[CL]F:1382 |
1 |
1 |
125 |
f |
[GDX]F:400 |
x,y,z |
1_555 |
2 |
1 |
713 |
9.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.027 |
76 |
|
[CL]H:1382 |
1 |
1 |
125 |
f |
[GDX]H:400 |
x,y,z |
1_555 |
2 |
1 |
710 |
8.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.027 |
77 |
|
[CL]G:1382 |
1 |
1 |
125 |
f |
[GDX]G:400 |
x,y,z |
1_555 |
2 |
1 |
714 |
7.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.027 |
78 |
|
[CL]J:1382 |
1 |
1 |
125 |
f |
[GDX]J:400 |
x,y,z |
1_555 |
2 |
1 |
710 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
10.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.027 |
|