## |
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 |
|
D |
466 |
123 |
17892 |
◊ |
C |
x,y,z |
1_555 |
457 |
119 |
17951 |
4656.5 |
-52.1 |
0.014 |
84 |
13 |
0 |
0.992 |
2 |
|
B |
457 |
119 |
17947 |
◊ |
A |
x,y,z |
1_555 |
462 |
118 |
17855 |
4654.5 |
-51.5 |
0.011 |
89 |
16 |
0 |
0.992 |
Average: |
4655.5 |
-51.8 |
0.013 |
87 |
15 |
0 |
0.992 |
2 |
3 |
|
A |
105 |
32 |
17855 |
◊ |
C |
-x,-y+1,z-1/2 |
2_564 |
108 |
32 |
17951 |
927.0 |
-5.8 |
0.483 |
12 |
0 |
0 |
0.011 |
4 |
|
B |
106 |
31 |
17947 |
◊ |
D |
-x,-y+1,z-1/2 |
2_564 |
104 |
32 |
17892 |
906.7 |
-6.4 |
0.439 |
11 |
0 |
0 |
0.011 |
Average: |
916.9 |
-6.1 |
0.461 |
12 |
0 |
0 |
0.011 |
3 |
5 |
|
D |
60 |
21 |
17892 |
x |
D |
-y+1,x,z-1/4 |
3_654 |
63 |
20 |
17892 |
577.9 |
-3.4 |
0.460 |
4 |
3 |
0 |
0.000 |
4 |
6 |
|
C |
43 |
15 |
17951 |
◊ |
A |
-y+1,x,z-1/4 |
3_654 |
52 |
15 |
17855 |
370.1 |
-3.0 |
0.469 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
B |
32 |
9 |
17947 |
◊ |
D |
-y,x,z-1/4 |
3_554 |
39 |
11 |
17892 |
310.7 |
-3.0 |
0.362 |
3 |
1 |
0 |
0.000 |
6 |
8 |
|
[EDO]D:485 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
17892 |
101.0 |
2.7 |
0.481 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
[FMT]D:465 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
17892 |
94.8 |
0.1 |
0.428 |
1 |
0 |
0 |
0.004 |
8 |
10 |
|
[FMT]C:465 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
17951 |
93.8 |
0.1 |
0.432 |
1 |
0 |
0 |
0.017 |
9 |
11 |
|
[FMT]A:465 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17855 |
93.4 |
0.1 |
0.430 |
1 |
0 |
0 |
0.034 |
10 |
12 |
|
[FMT]B:465 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
17947 |
91.4 |
0.3 |
0.434 |
1 |
0 |
0 |
0.002 |
11 |
13 |
|
[EDO]D:455 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
17892 |
88.8 |
2.0 |
0.228 |
3 |
0 |
0 |
0.000 |
14 |
|
[EDO]C:455 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
17951 |
88.8 |
2.0 |
0.228 |
3 |
0 |
0 |
0.000 |
Average: |
88.8 |
2.0 |
0.228 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
[FMT]B:460 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17947 |
88.2 |
-0.1 |
0.424 |
2 |
0 |
0 |
0.010 |
13 |
16 |
|
[EDO]B:455 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17947 |
87.6 |
2.0 |
0.223 |
3 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:455 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17855 |
87.2 |
1.9 |
0.223 |
3 |
0 |
0 |
0.000 |
Average: |
87.4 |
2.0 |
0.223 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[FMT]A:460 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17855 |
87.4 |
-0.2 |
0.412 |
2 |
0 |
0 |
0.111 |
15 |
19 |
|
[FMT]D:460 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
17892 |
87.3 |
-0.1 |
0.419 |
2 |
0 |
0 |
0.011 |
16 |
20 |
|
[FMT]C:460 |
3 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
17951 |
86.2 |
0.0 |
0.427 |
2 |
0 |
0 |
0.047 |
17 |
21 |
|
A |
7 |
4 |
17855 |
x |
A |
-y+1,x+1,z-1/4 |
3_664 |
11 |
5 |
17855 |
84.3 |
-1.4 |
0.298 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[FMT]A:470 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17855 |
82.1 |
-0.4 |
0.531 |
2 |
0 |
0 |
0.134 |
19 |
23 |
|
[FMT]B:470 |
3 |
1 |
151 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
17947 |
80.4 |
0.6 |
0.755 |
2 |
0 |
0 |
0.003 |
20 |
24 |
|
[EDO]C:480 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17951 |
79.9 |
1.7 |
0.818 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
A |
9 |
4 |
17855 |
◊ |
[EDO]C:480 |
-x,-y+1,z-1/2 |
2_564 |
3 |
1 |
185 |
77.9 |
2.1 |
0.433 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:480 |
3 |
1 |
184 |
◊ |
D |
-x,-y+1,z-1/2 |
2_564 |
8 |
4 |
17892 |
71.1 |
1.7 |
0.410 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:480 |
4 |
1 |
185 |
◊ |
C |
-x,-y+1,z-1/2 |
2_564 |
10 |
5 |
17951 |
70.8 |
1.7 |
0.389 |
1 |
0 |
0 |
0.000 |
Average: |
73.2 |
1.8 |
0.411 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
[FMT]D:470 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
17892 |
77.0 |
0.7 |
0.746 |
2 |
0 |
0 |
0.002 |
23 |
29 |
|
[EDO]D:480 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
17892 |
72.7 |
1.5 |
0.810 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[EDO]B:480 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17947 |
72.4 |
1.5 |
0.822 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:480 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17855 |
72.4 |
1.8 |
0.891 |
2 |
0 |
0 |
0.000 |
Average: |
72.4 |
1.7 |
0.856 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
B |
9 |
4 |
17947 |
◊ |
[EDO]D:480 |
-x,-y+1,z-1/2 |
2_564 |
4 |
1 |
184 |
70.5 |
1.7 |
0.218 |
1 |
0 |
0 |
0.000 |
26 |
33 |
|
[FMT]B:475 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
17947 |
70.4 |
0.1 |
0.649 |
2 |
0 |
0 |
0.008 |
27 |
34 |
|
B |
9 |
5 |
17947 |
◊ |
C |
-x,-y+1,z-1/2 |
2_564 |
9 |
5 |
17951 |
65.1 |
-1.6 |
0.173 |
0 |
0 |
0 |
0.002 |
35 |
|
A |
7 |
4 |
17855 |
◊ |
D |
-x,-y+1,z-1/2 |
2_564 |
8 |
4 |
17892 |
64.0 |
-1.6 |
0.123 |
0 |
0 |
0 |
0.002 |
Average: |
64.5 |
-1.6 |
0.148 |
0 |
0 |
0 |
0.002 |
28 |
36 |
|
B |
8 |
3 |
17947 |
x |
B |
-x,-y+1,z-1/2 |
2_564 |
9 |
3 |
17947 |
58.3 |
-0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
C |
8 |
4 |
17951 |
◊ |
B |
-y+1,x,z-1/4 |
3_654 |
5 |
1 |
17947 |
57.8 |
0.7 |
0.572 |
1 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]A:455 |
4 |
1 |
183 |
◊ |
C |
-x,-y+1,z-1/2 |
2_564 |
9 |
4 |
17951 |
50.6 |
0.8 |
0.711 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]B:455 |
4 |
1 |
183 |
◊ |
D |
-x,-y+1,z-1/2 |
2_564 |
9 |
4 |
17892 |
49.6 |
0.7 |
0.695 |
0 |
0 |
0 |
0.000 |
Average: |
50.1 |
0.7 |
0.703 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
A |
8 |
4 |
17855 |
◊ |
[EDO]C:455 |
-x,-y+1,z-1/2 |
2_564 |
4 |
1 |
184 |
49.7 |
0.7 |
0.685 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
9 |
4 |
17947 |
◊ |
[EDO]D:455 |
-x,-y+1,z-1/2 |
2_564 |
3 |
1 |
185 |
49.3 |
0.8 |
0.700 |
0 |
0 |
0 |
0.000 |
Average: |
49.5 |
0.8 |
0.692 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[FMT]C:460 |
3 |
1 |
148 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
17892 |
46.4 |
-0.3 |
0.308 |
0 |
0 |
0 |
0.004 |
43 |
|
[FMT]B:460 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17855 |
45.7 |
-0.3 |
0.483 |
0 |
0 |
0 |
0.004 |
Average: |
46.1 |
-0.3 |
0.396 |
0 |
0 |
0 |
0.004 |
33 |
44 |
|
[FMT]A:460 |
3 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17947 |
45.8 |
-0.3 |
0.459 |
0 |
0 |
0 |
0.003 |
34 |
45 |
|
[FMT]D:460 |
3 |
1 |
149 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17951 |
44.5 |
-0.3 |
0.457 |
0 |
0 |
0 |
0.004 |
35 |
46 |
|
C |
3 |
2 |
17951 |
◊ |
[FMT]B:475 |
-y+1,x,z-1/4 |
3_654 |
3 |
1 |
150 |
30.9 |
-0.3 |
0.296 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[MG]C:448 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
17951 |
30.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.163 |
37 |
48 |
|
A |
4 |
2 |
17855 |
◊ |
B |
-y+1,x+1,z-1/4 |
3_664 |
4 |
1 |
17947 |
30.2 |
-0.0 |
0.472 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[FMT]D:470 |
3 |
1 |
150 |
f |
[EDO]D:480 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.8 |
0.6 |
0.839 |
1 |
0 |
0 |
0.000 |
39 |
50 |
|
[FMT]B:470 |
3 |
1 |
151 |
f |
[EDO]B:480 |
x,y,z |
1_555 |
3 |
1 |
184 |
26.9 |
0.6 |
0.839 |
1 |
0 |
0 |
0.000 |
40 |
51 |
|
[FMT]B:475 |
2 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17855 |
26.3 |
-0.1 |
0.637 |
0 |
0 |
0 |
0.001 |
41 |
52 |
|
[FMT]A:470 |
3 |
1 |
148 |
f |
[EDO]A:480 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.9 |
0.6 |
0.839 |
1 |
0 |
0 |
0.000 |
42 |
53 |
|
[MG]C:448 |
1 |
1 |
98 |
◊ |
A |
-y+1,x,z-1/4 |
3_654 |
4 |
2 |
17855 |
24.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
A |
2 |
1 |
17855 |
◊ |
B |
-x,-y+1,z-1/2 |
2_564 |
3 |
1 |
17947 |
22.6 |
0.4 |
0.810 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
D |
8 |
4 |
17892 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
17855 |
21.3 |
-0.4 |
0.504 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
D |
4 |
1 |
17892 |
◊ |
A |
-y+1,x,z+3/4 |
3_655 |
3 |
1 |
17855 |
15.7 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[EDO]B:455 |
2 |
1 |
183 |
◊ |
[EDO]D:455 |
-x,-y+1,z-1/2 |
2_564 |
2 |
1 |
185 |
15.2 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]A:455 |
2 |
1 |
183 |
◊ |
[EDO]C:455 |
-x,-y+1,z-1/2 |
2_564 |
2 |
1 |
184 |
15.1 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
Average: |
15.1 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
59 |
|
C |
1 |
1 |
17951 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
17947 |
2.0 |
-0.7 |
0.111 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
[FMT]A:470 |
2 |
1 |
148 |
◊ |
C |
-x,-y+1,z-1/2 |
2_564 |
2 |
2 |
17951 |
1.8 |
0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
|