## |
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 |
132 |
13 |
3210 |
◊ |
A |
x,y,z |
1_555 |
151 |
52 |
27319 |
1303.3 |
-5.3 |
0.358 |
17 |
0 |
0 |
0.298 |
2 |
|
F |
121 |
13 |
2915 |
◊ |
D |
x,y,z |
1_555 |
138 |
47 |
27307 |
1131.5 |
-10.7 |
0.441 |
15 |
0 |
0 |
0.298 |
Average: |
1217.4 |
-8.0 |
0.400 |
16 |
0 |
0 |
0.298 |
2 |
3 |
|
D |
88 |
21 |
27307 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
96 |
22 |
27319 |
809.6 |
-4.8 |
0.275 |
6 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
85 |
22 |
27319 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
91 |
28 |
27319 |
746.9 |
2.6 |
0.551 |
10 |
5 |
0 |
0.000 |
4 |
5 |
|
A |
78 |
23 |
27319 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
70 |
18 |
27307 |
624.7 |
6.5 |
0.873 |
7 |
4 |
0 |
0.000 |
5 |
6 |
|
A |
77 |
24 |
27319 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
68 |
19 |
27307 |
619.4 |
-6.1 |
0.160 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
62 |
7 |
1971 |
◊ |
A |
x,y,z |
1_555 |
75 |
29 |
27319 |
582.0 |
-9.4 |
0.330 |
12 |
0 |
0 |
0.248 |
8 |
|
E |
57 |
6 |
1966 |
◊ |
D |
x,y,z |
1_555 |
72 |
28 |
27307 |
553.1 |
-7.5 |
0.366 |
13 |
0 |
0 |
0.248 |
Average: |
567.5 |
-8.4 |
0.348 |
13 |
0 |
0 |
0.248 |
7 |
9 |
|
D |
44 |
13 |
27307 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
27319 |
469.6 |
-2.4 |
0.357 |
6 |
1 |
0 |
0.005 |
8 |
10 |
|
C |
39 |
9 |
3210 |
◊ |
B |
x,y,z |
1_555 |
37 |
8 |
1971 |
379.3 |
-6.4 |
0.460 |
19 |
0 |
0 |
1.000 |
11 |
|
F |
39 |
9 |
2915 |
◊ |
E |
x,y,z |
1_555 |
36 |
8 |
1966 |
378.5 |
-6.7 |
0.506 |
19 |
0 |
0 |
1.000 |
Average: |
378.9 |
-6.6 |
0.483 |
19 |
0 |
0 |
1.000 |
9 |
12 |
|
[XG4]A:901 |
30 |
1 |
622 |
f |
A |
x,y,z |
1_555 |
57 |
21 |
27319 |
332.7 |
-1.7 |
0.456 |
8 |
0 |
0 |
0.113 |
13 |
|
[XG4]D:901 |
30 |
1 |
606 |
f |
D |
x,y,z |
1_555 |
50 |
22 |
27307 |
329.2 |
-3.4 |
0.340 |
6 |
0 |
0 |
0.113 |
Average: |
330.9 |
-2.6 |
0.398 |
7 |
0 |
0 |
0.113 |
10 |
14 |
|
A |
27 |
11 |
27319 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
9 |
27307 |
222.8 |
3.6 |
0.871 |
3 |
1 |
0 |
0.000 |
11 |
15 |
|
[C42]E:9 |
14 |
1 |
446 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
27307 |
176.7 |
1.5 |
0.455 |
7 |
0 |
0 |
0.031 |
16 |
|
[C42]B:9 |
11 |
1 |
441 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
27319 |
158.2 |
0.9 |
0.490 |
5 |
0 |
0 |
0.031 |
Average: |
167.5 |
1.2 |
0.473 |
6 |
0 |
0 |
0.031 |
12 |
17 |
|
D |
24 |
7 |
27307 |
x |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
20 |
8 |
27307 |
155.4 |
0.4 |
0.500 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
E |
19 |
3 |
1966 |
◊ |
B |
x,y,z |
1_555 |
21 |
3 |
1971 |
143.1 |
5.2 |
0.892 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]D:904 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
27307 |
116.8 |
-16.5 |
0.682 |
2 |
0 |
0 |
0.324 |
15 |
20 |
|
[C42]B:9 |
14 |
1 |
441 |
cf |
B |
x,y,z |
1_555 |
14 |
1 |
1971 |
105.2 |
2.6 |
0.585 |
0 |
0 |
0 |
0.000 |
21 |
|
[C42]E:9 |
14 |
1 |
446 |
cf |
E |
x,y,z |
1_555 |
14 |
1 |
1966 |
103.2 |
2.2 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
104.2 |
2.4 |
0.575 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[XG4]A:901 |
12 |
1 |
622 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
3210 |
100.5 |
2.2 |
0.746 |
3 |
0 |
0 |
0.000 |
23 |
|
[XG4]D:901 |
11 |
1 |
606 |
◊ |
F |
x,y,z |
1_555 |
12 |
2 |
2915 |
90.4 |
2.1 |
0.797 |
4 |
0 |
0 |
0.000 |
Average: |
95.4 |
2.1 |
0.771 |
4 |
0 |
0 |
0.000 |
17 |
24 |
|
[SO4]A:905 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
27319 |
96.2 |
-13.3 |
0.673 |
0 |
0 |
0 |
0.194 |
18 |
25 |
|
[C42]B:9 |
13 |
1 |
441 |
◊ |
[XG4]A:901 |
x,y,z |
1_555 |
14 |
1 |
622 |
92.0 |
1.2 |
0.461 |
1 |
0 |
0 |
0.000 |
26 |
|
[C42]E:9 |
13 |
1 |
446 |
◊ |
[XG4]D:901 |
x,y,z |
1_555 |
16 |
1 |
606 |
89.9 |
1.2 |
0.497 |
1 |
0 |
0 |
0.000 |
Average: |
90.9 |
1.2 |
0.479 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
F |
10 |
2 |
2915 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
3210 |
80.3 |
3.7 |
0.879 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
A |
10 |
5 |
27319 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
5 |
27319 |
80.2 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
12 |
5 |
27307 |
x |
D |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
3 |
27307 |
71.5 |
-0.5 |
0.464 |
0 |
0 |
0 |
0.000 |
Average: |
75.8 |
-0.6 |
0.433 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[SO4]A:904 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
27319 |
76.5 |
-9.9 |
0.852 |
4 |
0 |
0 |
0.170 |
22 |
31 |
|
[SO4]D:903 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
27307 |
71.4 |
-10.6 |
0.719 |
2 |
0 |
0 |
0.214 |
23 |
32 |
|
[SO4]A:903 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
27319 |
68.1 |
-8.7 |
0.872 |
3 |
0 |
0 |
0.146 |
24 |
33 |
|
[SO4]A:906 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
27319 |
63.2 |
-9.2 |
0.414 |
0 |
0 |
0 |
0.133 |
25 |
34 |
|
[SO4]A:906 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
27307 |
62.4 |
-7.5 |
0.879 |
2 |
0 |
0 |
0.008 |
26 |
35 |
|
F |
10 |
2 |
2915 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
1971 |
55.5 |
-1.1 |
0.524 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
8 |
2 |
3210 |
◊ |
E |
x,y,z |
1_555 |
9 |
1 |
1966 |
54.9 |
-1.8 |
0.418 |
0 |
0 |
0 |
0.000 |
Average: |
55.2 |
-1.5 |
0.471 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[C42]E:9 |
5 |
1 |
446 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
2915 |
55.2 |
-0.4 |
0.466 |
3 |
0 |
0 |
0.118 |
38 |
|
[C42]B:9 |
5 |
1 |
441 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
3210 |
54.9 |
-0.5 |
0.412 |
3 |
0 |
0 |
0.118 |
Average: |
55.0 |
-0.4 |
0.439 |
3 |
0 |
0 |
0.118 |
28 |
39 |
|
[SO4]C:101 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
3210 |
49.5 |
-6.1 |
0.792 |
1 |
0 |
0 |
0.263 |
29 |
40 |
|
[MN]A:902 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
27319 |
45.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.055 |
41 |
|
[MN]D:902 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
27307 |
43.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
44.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.055 |
30 |
42 |
|
A |
3 |
1 |
27319 |
◊ |
[SO4]A:903 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
186 |
41.6 |
-4.0 |
0.975 |
1 |
0 |
0 |
0.000 |
31 |
43 |
|
[MN]A:902 |
1 |
1 |
123 |
f |
[XG4]A:901 |
x,y,z |
1_555 |
5 |
1 |
622 |
40.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.062 |
44 |
|
[MN]D:902 |
1 |
1 |
123 |
f |
[XG4]D:901 |
x,y,z |
1_555 |
5 |
1 |
606 |
39.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
39.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.062 |
32 |
45 |
|
[SO4]C:101 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
1971 |
36.9 |
-3.8 |
0.799 |
1 |
0 |
0 |
0.170 |
33 |
46 |
|
[SO4]A:905 |
4 |
1 |
185 |
◊ |
[SO4]A:903 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
186 |
30.7 |
-6.9 |
0.998 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[C42]B:9 |
1 |
1 |
441 |
◊ |
[MN]A:902 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
48 |
|
[C42]E:9 |
1 |
1 |
446 |
◊ |
[MN]D:902 |
x,y,z |
1_555 |
1 |
1 |
123 |
10.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
11.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
35 |
49 |
|
B |
2 |
1 |
1971 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
27307 |
10.8 |
-0.0 |
0.484 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
F |
2 |
1 |
2915 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
27319 |
6.4 |
0.2 |
0.632 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[SO4]C:101 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
2915 |
4.8 |
-0.7 |
0.460 |
0 |
0 |
0 |
0.000 |
|