## |
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 |
|
B |
306 |
84 |
12510 |
◊ |
A |
x,y,z |
1_555 |
345 |
93 |
27530 |
3253.0 |
-28.4 |
0.124 |
33 |
17 |
0 |
0.237 |
2 |
|
D |
288 |
76 |
12227 |
◊ |
C |
x,y,z |
1_555 |
337 |
90 |
26944 |
3149.2 |
-30.0 |
0.090 |
34 |
17 |
0 |
0.237 |
Average: |
3201.1 |
-29.2 |
0.107 |
34 |
17 |
0 |
0.237 |
2 |
3 |
|
[MGD]A:903 |
47 |
1 |
936 |
f |
A |
x,y,z |
1_555 |
100 |
34 |
27530 |
596.2 |
-11.8 |
0.319 |
9 |
0 |
0 |
0.079 |
4 |
|
[MGD]C:903 |
47 |
1 |
933 |
f |
C |
x,y,z |
1_555 |
96 |
35 |
26944 |
592.9 |
-10.8 |
0.410 |
9 |
0 |
0 |
0.079 |
Average: |
594.6 |
-11.3 |
0.364 |
9 |
0 |
0 |
0.079 |
3 |
5 |
|
[MGD]A:902 |
46 |
1 |
927 |
f |
A |
x,y,z |
1_555 |
95 |
39 |
27530 |
592.2 |
-11.9 |
0.328 |
13 |
0 |
0 |
0.088 |
6 |
|
[MGD]C:902 |
47 |
1 |
926 |
f |
C |
x,y,z |
1_555 |
96 |
39 |
26944 |
588.1 |
-10.7 |
0.407 |
14 |
0 |
0 |
0.088 |
Average: |
590.1 |
-11.3 |
0.368 |
14 |
0 |
0 |
0.088 |
4 |
7 |
|
A |
50 |
13 |
27530 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
56 |
20 |
12510 |
547.7 |
-8.3 |
0.045 |
0 |
1 |
0 |
0.000 |
5 |
8 |
|
C |
59 |
24 |
26944 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
44 |
15 |
26944 |
444.8 |
-0.2 |
0.428 |
2 |
1 |
0 |
0.000 |
6 |
9 |
|
D |
41 |
14 |
12227 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
50 |
16 |
27530 |
415.7 |
2.4 |
0.861 |
5 |
1 |
0 |
0.000 |
7 |
10 |
|
D |
36 |
9 |
12227 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
13 |
12510 |
374.9 |
-1.9 |
0.585 |
1 |
5 |
0 |
0.000 |
8 |
11 |
|
C |
35 |
15 |
26944 |
◊ |
A |
x,y,z |
1_555 |
38 |
15 |
27530 |
301.5 |
0.7 |
0.577 |
1 |
1 |
0 |
0.000 |
9 |
12 |
|
C |
27 |
11 |
26944 |
◊ |
A |
-x,y,-z |
2_555 |
28 |
11 |
27530 |
212.6 |
0.3 |
0.622 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
A |
25 |
9 |
27530 |
◊ |
A |
-x,y,-z+1 |
2_556 |
25 |
9 |
27530 |
209.7 |
0.9 |
0.688 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[SF4]D:302 |
8 |
1 |
305 |
f |
D |
x,y,z |
1_555 |
27 |
14 |
12227 |
184.8 |
-21.1 |
0.365 |
0 |
0 |
0 |
0.105 |
15 |
|
[SF4]B:302 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
12510 |
184.5 |
-21.1 |
0.358 |
0 |
0 |
0 |
0.105 |
Average: |
184.7 |
-21.1 |
0.362 |
0 |
0 |
0 |
0.105 |
12 |
16 |
|
[SF4]B:304 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
12510 |
182.8 |
-21.1 |
0.351 |
0 |
0 |
0 |
0.105 |
17 |
|
[SF4]D:304 |
8 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
12227 |
182.0 |
-21.1 |
0.358 |
0 |
0 |
0 |
0.105 |
Average: |
182.4 |
-21.1 |
0.355 |
0 |
0 |
0 |
0.105 |
13 |
18 |
|
[SF4]B:301 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
25 |
15 |
12510 |
182.4 |
-20.8 |
0.474 |
1 |
0 |
0 |
0.106 |
19 |
|
[SF4]D:301 |
8 |
1 |
307 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
12227 |
182.2 |
-20.8 |
0.492 |
1 |
0 |
0 |
0.106 |
Average: |
182.3 |
-20.8 |
0.483 |
1 |
0 |
0 |
0.106 |
14 |
20 |
|
[SF4]D:303 |
8 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
20 |
13 |
12227 |
181.3 |
-21.2 |
0.418 |
0 |
0 |
0 |
0.106 |
21 |
|
[SF4]B:303 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
19 |
13 |
12510 |
180.4 |
-21.2 |
0.396 |
0 |
0 |
0 |
0.106 |
Average: |
180.8 |
-21.2 |
0.407 |
0 |
0 |
0 |
0.106 |
15 |
22 |
|
B |
21 |
9 |
12510 |
◊ |
C |
x,y,z |
1_555 |
22 |
11 |
26944 |
180.5 |
0.4 |
0.719 |
1 |
2 |
0 |
0.000 |
16 |
23 |
|
[SF4]A:901 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
27530 |
177.6 |
-20.6 |
0.354 |
1 |
0 |
0 |
0.105 |
24 |
|
[SF4]C:901 |
8 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
26944 |
176.8 |
-20.5 |
0.263 |
1 |
0 |
0 |
0.105 |
Average: |
177.2 |
-20.6 |
0.309 |
1 |
0 |
0 |
0.105 |
17 |
25 |
|
[PG5]C:908 |
10 |
1 |
391 |
◊ |
C |
x,y,z |
1_555 |
24 |
9 |
26944 |
169.4 |
6.7 |
0.251 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[PG5]A:908 |
12 |
1 |
388 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
27530 |
163.9 |
6.2 |
0.078 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
B |
20 |
9 |
12510 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
7 |
12510 |
155.0 |
2.9 |
0.937 |
1 |
2 |
0 |
0.000 |
20 |
28 |
|
D |
14 |
7 |
12227 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
11 |
5 |
26944 |
105.4 |
2.2 |
0.897 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
A |
11 |
4 |
27530 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
13 |
5 |
12227 |
90.8 |
-0.6 |
0.533 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[FMT]D:305 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
12227 |
83.3 |
0.1 |
0.713 |
1 |
0 |
0 |
0.002 |
23 |
31 |
|
[FMT]C:907 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
26944 |
80.4 |
-0.7 |
0.340 |
1 |
0 |
0 |
0.005 |
24 |
32 |
|
[PEG]D:306 |
7 |
1 |
253 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
4 |
12510 |
79.6 |
1.5 |
0.241 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[FMT]C:906 |
3 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
26944 |
79.6 |
0.1 |
0.403 |
1 |
0 |
0 |
0.002 |
26 |
34 |
|
[FMT]A:906 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
27530 |
77.9 |
-0.7 |
0.334 |
1 |
0 |
0 |
0.006 |
27 |
35 |
|
[FMT]B:305 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12510 |
76.3 |
-0.1 |
0.635 |
2 |
0 |
0 |
0.005 |
28 |
36 |
|
C |
10 |
5 |
26944 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
27530 |
73.5 |
0.6 |
0.733 |
0 |
2 |
0 |
0.000 |
29 |
37 |
|
[FMT]C:905 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
26944 |
72.7 |
0.0 |
0.389 |
2 |
0 |
0 |
0.004 |
30 |
38 |
|
[FMT]A:905 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
27530 |
72.6 |
0.0 |
0.391 |
2 |
0 |
0 |
0.004 |
31 |
39 |
|
[FMT]A:907 |
3 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
27530 |
72.1 |
0.1 |
0.635 |
1 |
0 |
0 |
0.000 |
32 |
40 |
|
[PEG]D:306 |
5 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
12227 |
70.7 |
2.4 |
0.420 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[MGD]A:903 |
5 |
1 |
936 |
f |
[MGD]A:902 |
x,y,z |
1_555 |
7 |
1 |
927 |
64.8 |
-5.4 |
0.216 |
3 |
0 |
0 |
0.034 |
42 |
|
[MGD]C:903 |
5 |
1 |
933 |
f |
[MGD]C:902 |
x,y,z |
1_555 |
7 |
1 |
926 |
64.7 |
-5.4 |
0.217 |
3 |
0 |
0 |
0.034 |
Average: |
64.8 |
-5.4 |
0.217 |
3 |
0 |
0 |
0.034 |
34 |
43 |
|
[MO]A:904 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
27530 |
64.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.022 |
44 |
|
[MO]C:904 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
26944 |
64.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
64.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.022 |
35 |
45 |
|
D |
5 |
2 |
12227 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
27530 |
55.4 |
1.6 |
0.901 |
1 |
0 |
0 |
0.000 |
36 |
46 |
|
[FMT]A:907 |
3 |
1 |
148 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
12510 |
48.2 |
-0.6 |
0.328 |
0 |
0 |
0 |
0.003 |
37 |
47 |
|
[MO]C:904 |
1 |
1 |
163 |
f |
[MGD]C:902 |
x,y,z |
1_555 |
4 |
1 |
926 |
45.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.040 |
48 |
|
[MO]A:904 |
1 |
1 |
163 |
f |
[MGD]A:903 |
x,y,z |
1_555 |
2 |
1 |
936 |
45.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.040 |
49 |
|
[MO]A:904 |
1 |
1 |
163 |
f |
[MGD]A:902 |
x,y,z |
1_555 |
3 |
1 |
927 |
44.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.040 |
50 |
|
[MO]C:904 |
1 |
1 |
163 |
f |
[MGD]C:903 |
x,y,z |
1_555 |
3 |
1 |
933 |
44.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
45.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.040 |
38 |
51 |
|
[PG5]A:908 |
3 |
1 |
388 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12510 |
28.0 |
0.3 |
0.108 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[PG5]C:908 |
2 |
1 |
391 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
12227 |
27.9 |
0.4 |
0.233 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[FMT]C:905 |
1 |
1 |
149 |
f |
[MGD]C:903 |
x,y,z |
1_555 |
2 |
1 |
933 |
10.5 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
54 |
|
[FMT]A:905 |
1 |
1 |
148 |
f |
[MGD]A:903 |
x,y,z |
1_555 |
2 |
1 |
936 |
10.2 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
10.4 |
0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[MGD]C:902 |
4 |
1 |
926 |
f |
[SF4]C:901 |
x,y,z |
1_555 |
2 |
1 |
308 |
7.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
56 |
|
[MGD]A:902 |
4 |
1 |
927 |
f |
[SF4]A:901 |
x,y,z |
1_555 |
2 |
1 |
307 |
7.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
7.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
42 |
57 |
|
[SF4]D:301 |
2 |
1 |
307 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
26944 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
58 |
|
[SF4]B:301 |
2 |
1 |
306 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
27530 |
4.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
4.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
43 |
59 |
|
D |
1 |
1 |
12227 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
26944 |
2.3 |
0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
|