## |
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 |
90 |
29 |
17897 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
84 |
28 |
17857 |
838.8 |
-2.6 |
0.560 |
2 |
10 |
0 |
0.000 |
2 |
|
D |
82 |
28 |
17475 |
◊ |
B |
-x+3,y-1/2,-z+2 |
2_847 |
82 |
26 |
17762 |
794.1 |
-3.1 |
0.594 |
2 |
10 |
0 |
0.000 |
Average: |
816.5 |
-2.8 |
0.577 |
2 |
10 |
0 |
0.000 |
2 |
3 |
|
[FDA]A:419 |
52 |
1 |
1003 |
f |
A |
x,y,z |
1_555 |
121 |
42 |
17857 |
734.6 |
-10.1 |
0.400 |
8 |
0 |
0 |
0.235 |
4 |
|
[FDA]C:419 |
52 |
1 |
1006 |
f |
C |
x,y,z |
1_555 |
117 |
41 |
17897 |
727.4 |
-9.5 |
0.399 |
9 |
0 |
0 |
0.235 |
5 |
|
[FDA]B:419 |
52 |
1 |
1004 |
f |
B |
x,y,z |
1_555 |
118 |
44 |
17762 |
710.8 |
-9.7 |
0.476 |
8 |
0 |
0 |
0.235 |
6 |
|
[FDA]D:419 |
52 |
1 |
1010 |
f |
D |
x,y,z |
1_555 |
116 |
41 |
17475 |
695.2 |
-9.6 |
0.419 |
8 |
0 |
0 |
0.235 |
Average: |
717.0 |
-9.7 |
0.423 |
8 |
0 |
0 |
0.235 |
3 |
7 |
|
D |
79 |
28 |
17475 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
86 |
29 |
17762 |
703.9 |
-9.2 |
0.200 |
0 |
4 |
0 |
0.083 |
8 |
|
C |
78 |
27 |
17897 |
◊ |
A |
-x+3,y-1/2,-z+1 |
2_846 |
75 |
27 |
17857 |
649.7 |
-7.1 |
0.226 |
0 |
4 |
0 |
0.083 |
Average: |
676.8 |
-8.1 |
0.213 |
0 |
4 |
0 |
0.083 |
4 |
9 |
|
B |
75 |
20 |
17762 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
17857 |
624.2 |
-0.5 |
0.758 |
6 |
8 |
0 |
0.000 |
5 |
10 |
|
D |
60 |
15 |
17475 |
◊ |
C |
x,y,z |
1_555 |
60 |
16 |
17897 |
525.1 |
-1.3 |
0.668 |
8 |
8 |
0 |
0.000 |
6 |
11 |
|
C |
21 |
8 |
17897 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
17857 |
221.7 |
1.7 |
0.729 |
4 |
2 |
0 |
0.000 |
7 |
12 |
|
D |
21 |
9 |
17475 |
x |
D |
-x+2,y-1/2,-z+2 |
2_747 |
19 |
6 |
17475 |
179.5 |
0.2 |
0.716 |
0 |
4 |
0 |
0.000 |
8 |
13 |
|
[TRS]B:424 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
17762 |
150.5 |
4.3 |
0.365 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[TRS]D:425 |
7 |
1 |
253 |
f |
D |
x,y,z |
1_555 |
26 |
9 |
17475 |
149.0 |
3.7 |
0.490 |
1 |
0 |
0 |
0.000 |
15 |
|
[TRS]C:426 |
7 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
17897 |
147.0 |
3.4 |
0.440 |
1 |
0 |
0 |
0.000 |
Average: |
148.0 |
3.6 |
0.465 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
C |
14 |
6 |
17897 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
17762 |
140.1 |
0.1 |
0.645 |
0 |
1 |
0 |
0.000 |
11 |
17 |
|
C |
15 |
5 |
17897 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
16 |
5 |
17475 |
136.4 |
2.6 |
0.915 |
1 |
4 |
0 |
0.000 |
12 |
18 |
|
A |
17 |
6 |
17857 |
x |
A |
-x+3,y-1/2,-z+1 |
2_846 |
12 |
4 |
17857 |
134.1 |
0.7 |
0.722 |
0 |
4 |
0 |
0.000 |
13 |
19 |
|
C |
12 |
5 |
17897 |
◊ |
B |
x,y-1,z |
1_545 |
15 |
6 |
17762 |
132.1 |
-1.4 |
0.356 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[GOL]C:425 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
17897 |
116.6 |
0.5 |
0.670 |
4 |
0 |
0 |
0.011 |
15 |
21 |
|
[CL]A:422 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17857 |
68.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.189 |
22 |
|
[CL]C:424 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
17897 |
68.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.189 |
23 |
|
[CL]D:423 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17475 |
68.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.189 |
Average: |
68.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.189 |
16 |
24 |
|
[CL]B:423 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
17762 |
66.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.174 |
25 |
|
[CL]C:422 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
17897 |
65.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.174 |
26 |
|
[CL]D:424 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
17475 |
65.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.174 |
27 |
|
[CL]A:421 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17857 |
65.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.174 |
Average: |
65.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.174 |
17 |
28 |
|
[TRS]C:426 |
5 |
1 |
252 |
f |
[FDA]C:419 |
x,y,z |
1_555 |
16 |
1 |
1006 |
62.6 |
2.2 |
0.892 |
0 |
0 |
0 |
0.000 |
29 |
|
[TRS]D:425 |
5 |
1 |
253 |
f |
[FDA]D:419 |
x,y,z |
1_555 |
16 |
1 |
1010 |
62.0 |
2.1 |
0.887 |
0 |
0 |
0 |
0.000 |
Average: |
62.3 |
2.1 |
0.890 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[TRS]B:424 |
5 |
1 |
252 |
f |
[FDA]B:419 |
x,y,z |
1_555 |
16 |
1 |
1004 |
58.6 |
1.9 |
0.887 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[CL]C:423 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17897 |
58.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.137 |
32 |
|
D |
13 |
5 |
17475 |
f |
[CL]B:422 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
125 |
57.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.137 |
33 |
|
[CL]C:421 |
1 |
1 |
125 |
f |
A |
-x+3,y-1/2,-z+1 |
2_846 |
12 |
5 |
17857 |
57.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
57.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.137 |
20 |
34 |
|
[MG]B:420 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17762 |
57.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.078 |
21 |
35 |
|
[CL]C:420 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
17897 |
47.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
36 |
|
[MG]D:420 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17475 |
47.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.055 |
23 |
37 |
|
[CL]C:420 |
1 |
1 |
125 |
f |
A |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
3 |
17857 |
42.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.048 |
24 |
38 |
|
[CL]B:422 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
17762 |
41.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.087 |
39 |
|
[CL]C:421 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
17897 |
40.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.087 |
40 |
|
[CL]C:423 |
1 |
1 |
125 |
◊ |
A |
-x+3,y-1/2,-z+1 |
2_846 |
6 |
3 |
17857 |
40.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
40.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.087 |
25 |
41 |
|
[MG]D:422 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
17475 |
38.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.052 |
26 |
42 |
|
[MG]B:421 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
17762 |
38.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.111 |
43 |
|
[MG]A:420 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
17857 |
37.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.111 |
44 |
|
[MG]D:421 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
17475 |
37.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
37.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.111 |
27 |
45 |
|
[GOL]C:425 |
4 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17475 |
33.8 |
1.0 |
0.688 |
1 |
0 |
0 |
0.000 |
28 |
46 |
|
[MG]D:422 |
1 |
1 |
98 |
f |
[FDA]D:419 |
x,y,z |
1_555 |
6 |
1 |
1010 |
31.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.041 |
29 |
47 |
|
[MG]A:420 |
1 |
1 |
98 |
f |
[FDA]A:419 |
x,y,z |
1_555 |
5 |
1 |
1003 |
31.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.062 |
48 |
|
[MG]B:421 |
1 |
1 |
98 |
f |
[FDA]B:419 |
x,y,z |
1_555 |
5 |
1 |
1004 |
30.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.062 |
49 |
|
[MG]D:421 |
1 |
1 |
98 |
f |
[FDA]D:419 |
x,y,z |
1_555 |
5 |
1 |
1010 |
29.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
30.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.062 |
30 |
50 |
|
D |
3 |
2 |
17475 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
3 |
17762 |
27.3 |
0.8 |
0.865 |
0 |
0 |
0 |
0.000 |
31 |
51 |
|
C |
3 |
1 |
17897 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
17475 |
12.5 |
-0.3 |
0.293 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
1 |
1 |
17857 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17762 |
1.4 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
Average: |
6.9 |
-0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
32 |
53 |
|
[MG]D:420 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
17897 |
4.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
54 |
|
[CL]C:422 |
1 |
1 |
125 |
f |
[FDA]C:419 |
x,y,z |
1_555 |
1 |
1 |
1006 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
55 |
|
[CL]B:423 |
1 |
1 |
125 |
f |
[FDA]B:419 |
x,y,z |
1_555 |
1 |
1 |
1004 |
4.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
56 |
|
[CL]D:424 |
1 |
1 |
125 |
f |
[FDA]D:419 |
x,y,z |
1_555 |
1 |
1 |
1010 |
3.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
57 |
|
[CL]A:421 |
1 |
1 |
125 |
f |
[FDA]A:419 |
x,y,z |
1_555 |
1 |
1 |
1003 |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
4.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
|