## |
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 |
135 |
33 |
7166 |
◊ |
A |
x,y,z |
1_555 |
147 |
38 |
6783 |
1176.5 |
-17.5 |
0.203 |
15 |
1 |
0 |
1.000 |
2 |
|
C |
147 |
36 |
6870 |
◊ |
B |
x,y,z |
1_555 |
129 |
31 |
6867 |
1154.8 |
-17.8 |
0.133 |
14 |
2 |
0 |
1.000 |
3 |
|
D |
145 |
38 |
7166 |
◊ |
C |
x,y,z |
1_555 |
125 |
32 |
6870 |
1130.5 |
-17.5 |
0.131 |
16 |
1 |
0 |
1.000 |
4 |
|
B |
143 |
37 |
6867 |
◊ |
A |
x,y,z |
1_555 |
123 |
31 |
6783 |
1109.6 |
-17.3 |
0.156 |
15 |
1 |
0 |
1.000 |
Average: |
1142.9 |
-17.5 |
0.155 |
15 |
1 |
0 |
1.000 |
2 |
5 |
|
C |
43 |
11 |
6870 |
◊ |
A |
x-1,y,z |
1_455 |
41 |
12 |
6783 |
406.5 |
-2.5 |
0.579 |
4 |
3 |
0 |
0.000 |
6 |
|
B |
43 |
11 |
6867 |
◊ |
D |
x,y-1,z |
1_545 |
37 |
10 |
7166 |
390.1 |
-3.7 |
0.432 |
3 |
3 |
0 |
0.000 |
Average: |
398.3 |
-3.1 |
0.505 |
4 |
3 |
0 |
0.000 |
3 |
7 |
|
C |
28 |
6 |
6870 |
◊ |
A |
x-1,y,z+1 |
1_456 |
28 |
11 |
6783 |
268.6 |
-2.8 |
0.445 |
1 |
0 |
0 |
0.000 |
4 |
8 |
|
B |
27 |
8 |
6867 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
5 |
7166 |
231.8 |
-0.5 |
0.653 |
3 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
17 |
5 |
6867 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
19 |
6 |
7166 |
180.0 |
-2.4 |
0.379 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
12 |
3 |
6783 |
◊ |
C |
x,y-1,z+1 |
1_546 |
17 |
5 |
6870 |
132.8 |
-1.4 |
0.440 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[EDO]B:1302 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
6783 |
92.6 |
2.0 |
0.385 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
[EDO]D:1301 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
6870 |
91.7 |
2.8 |
0.461 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[FMT]D:1306 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
7166 |
78.9 |
-0.5 |
0.339 |
0 |
0 |
0 |
0.006 |
10 |
14 |
|
[FMT]C:1305 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
6870 |
74.1 |
-0.1 |
0.396 |
0 |
0 |
0 |
0.100 |
11 |
15 |
|
[EDO]A:1303 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6783 |
73.9 |
1.9 |
0.877 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
[FMT]A:1307 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6783 |
66.3 |
-0.4 |
0.421 |
0 |
0 |
0 |
0.100 |
13 |
17 |
|
[EDO]A:1303 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6867 |
58.8 |
0.8 |
0.561 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[FMT]D:1304 |
3 |
1 |
149 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
7166 |
57.8 |
-0.3 |
0.430 |
1 |
0 |
0 |
0.005 |
15 |
19 |
|
B |
11 |
6 |
6867 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
6783 |
52.4 |
0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]B:1302 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
6867 |
52.4 |
2.0 |
0.325 |
2 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]D:1301 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
7166 |
51.8 |
2.0 |
0.644 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[FMT]D:1304 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6783 |
40.8 |
-0.0 |
0.418 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
D |
6 |
5 |
7166 |
◊ |
B |
x,y,z |
1_555 |
6 |
5 |
6867 |
30.6 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.002 |
24 |
|
C |
6 |
5 |
6870 |
◊ |
A |
x,y,z |
1_555 |
6 |
5 |
6783 |
29.5 |
-0.1 |
0.683 |
0 |
0 |
0 |
0.002 |
Average: |
30.1 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.002 |
20 |
25 |
|
C |
3 |
1 |
6870 |
◊ |
[FMT]A:1307 |
x-1,y,z+1 |
1_456 |
2 |
1 |
149 |
28.1 |
0.3 |
0.637 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[CL]D:1402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7166 |
26.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
27 |
|
[CL]D:1402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6867 |
26.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
28 |
|
[CL]D:1402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6870 |
26.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
29 |
|
[CL]D:1402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6783 |
26.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
26.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
22 |
30 |
|
[CL]A:1401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6870 |
25.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
31 |
|
[CL]A:1401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6783 |
25.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.070 |
32 |
|
[CL]A:1401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
7166 |
25.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
33 |
|
[CL]A:1401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6867 |
25.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
25.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.070 |
23 |
34 |
|
[MG]A:1502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
7166 |
22.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
35 |
|
[MG]A:1502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6867 |
22.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
36 |
|
[MG]A:1502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6783 |
21.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
37 |
|
[MG]A:1502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6870 |
21.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
22.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.051 |
24 |
38 |
|
[MG]A:1503 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6870 |
20.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.045 |
39 |
|
[MG]A:1503 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6867 |
19.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
|
[MG]A:1503 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
7166 |
19.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.045 |
41 |
|
[MG]A:1503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6783 |
18.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
19.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.045 |
25 |
42 |
|
[MG]A:1504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
6867 |
20.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.050 |
43 |
|
[MG]A:1504 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6783 |
20.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.050 |
44 |
|
[MG]A:1504 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
7166 |
19.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.050 |
45 |
|
[MG]A:1504 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
6870 |
19.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
20.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.050 |
26 |
46 |
|
[MG]A:1501 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7166 |
17.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.044 |
47 |
|
[MG]A:1501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6867 |
17.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.044 |
48 |
|
[MG]A:1501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6870 |
17.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.044 |
49 |
|
[MG]A:1501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6783 |
17.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
17.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.044 |
27 |
50 |
|
[MG]A:1501 |
1 |
1 |
98 |
f |
[CL]D:1402 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.024 |
28 |
51 |
|
[MG]A:1504 |
1 |
1 |
98 |
f |
[MG]A:1503 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.024 |
29 |
52 |
|
A |
2 |
1 |
6783 |
◊ |
[FMT]C:1305 |
x,y-1,z+1 |
1_546 |
1 |
1 |
149 |
13.8 |
-0.1 |
0.339 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
D |
2 |
1 |
7166 |
◊ |
A |
x-1,y,z+1 |
1_456 |
2 |
1 |
6783 |
12.5 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
[MG]A:1501 |
1 |
1 |
98 |
f |
[CL]A:1401 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
55 |
|
[FMT]D:1304 |
2 |
1 |
149 |
f |
[MG]A:1503 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
33 |
56 |
|
[MG]A:1502 |
1 |
1 |
98 |
f |
[CL]A:1401 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
57 |
|
C |
1 |
1 |
6870 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
7166 |
7.1 |
0.0 |
0.527 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
1 |
1 |
6867 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
6783 |
4.9 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
Average: |
6.0 |
-0.0 |
0.521 |
0 |
0 |
0 |
0.000 |
35 |
59 |
|
[MG]A:1504 |
1 |
1 |
98 |
f |
[MG]A:1502 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
36 |
60 |
|
B |
2 |
1 |
6867 |
◊ |
[FMT]D:1306 |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
149 |
3.2 |
-0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
37 |
61 |
|
[CL]D:1402 |
1 |
1 |
125 |
f |
[CL]A:1401 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
38 |
62 |
|
B |
1 |
1 |
6867 |
◊ |
C |
x,y-1,z+1 |
1_546 |
1 |
1 |
6870 |
1.3 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
C |
1 |
1 |
6870 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
7166 |
0.8 |
0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
|