## |
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 |
67 |
22 |
14854 |
x |
B |
x,y,z |
1_555 |
65 |
24 |
15216 |
621.8 |
-1.5 |
0.692 |
7 |
2 |
0 |
0.000 |
2 |
|
D |
61 |
22 |
14854 |
x |
C |
x-y,x,z-1/6 |
2_554 |
58 |
18 |
15174 |
599.3 |
-1.6 |
0.621 |
8 |
2 |
0 |
0.000 |
3 |
|
B |
61 |
21 |
15216 |
x |
C |
x-y,x,z+5/6 |
2_555 |
60 |
22 |
15174 |
598.2 |
-3.5 |
0.453 |
6 |
2 |
0 |
0.000 |
4 |
|
A |
57 |
19 |
14983 |
x |
A |
-y,x-y+1,z-1/3 |
3_564 |
63 |
21 |
14983 |
565.2 |
-2.2 |
0.590 |
9 |
2 |
0 |
0.000 |
Average: |
596.1 |
-2.2 |
0.589 |
8 |
2 |
0 |
0.000 |
2 |
5 |
|
C |
72 |
20 |
15174 |
◊ |
B |
x,y,z |
1_555 |
68 |
18 |
15216 |
591.2 |
-2.2 |
0.566 |
7 |
5 |
0 |
0.000 |
6 |
|
C |
66 |
19 |
15174 |
◊ |
B |
x,y,z-1 |
1_554 |
72 |
19 |
15216 |
591.1 |
-1.5 |
0.641 |
8 |
5 |
0 |
0.000 |
Average: |
591.1 |
-1.9 |
0.603 |
8 |
5 |
0 |
0.000 |
3 |
7 |
|
[OCJ]D:1101 |
28 |
1 |
630 |
f |
D |
x,y,z |
1_555 |
47 |
20 |
14854 |
373.0 |
1.4 |
0.342 |
3 |
0 |
0 |
0.003 |
8 |
|
[OCJ]A:1101 |
28 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
50 |
21 |
14983 |
368.0 |
2.3 |
0.400 |
4 |
0 |
0 |
0.003 |
9 |
|
[OCJ]C:1101 |
27 |
1 |
625 |
f |
C |
x,y,z |
1_555 |
51 |
20 |
15174 |
361.2 |
1.8 |
0.351 |
4 |
0 |
0 |
0.003 |
10 |
|
[OCJ]B:1101 |
26 |
1 |
628 |
f |
B |
x,y,z |
1_555 |
45 |
21 |
15216 |
358.1 |
1.5 |
0.339 |
4 |
0 |
0 |
0.003 |
Average: |
365.1 |
1.7 |
0.358 |
4 |
0 |
0 |
0.003 |
4 |
11 |
|
B |
38 |
10 |
15216 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
14983 |
311.4 |
-1.8 |
0.529 |
2 |
0 |
0 |
0.000 |
5 |
12 |
|
A |
29 |
7 |
14983 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
7 |
15216 |
298.6 |
-2.3 |
0.460 |
4 |
0 |
0 |
0.000 |
6 |
13 |
|
D |
14 |
5 |
14854 |
x |
D |
-x-1,-y,z-1/2 |
4_454 |
22 |
6 |
14854 |
163.7 |
-1.4 |
0.410 |
1 |
2 |
0 |
0.000 |
7 |
14 |
|
A |
17 |
6 |
14983 |
◊ |
D |
-x-1,-y,z-1/2 |
4_454 |
12 |
2 |
14854 |
137.9 |
-1.7 |
0.355 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
[PO4]C:1103 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
15174 |
101.9 |
-6.7 |
0.633 |
3 |
0 |
0 |
0.089 |
9 |
16 |
|
[PO4]B:1102 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
15216 |
101.6 |
-4.5 |
0.839 |
4 |
0 |
0 |
0.073 |
10 |
17 |
|
[PO4]A:1105 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14983 |
99.5 |
-4.2 |
0.954 |
3 |
0 |
0 |
0.035 |
11 |
18 |
|
[EDO]B:1104 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
15216 |
97.9 |
1.9 |
0.380 |
1 |
0 |
0 |
0.000 |
12 |
19 |
|
[EDO]D:1105 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
14854 |
97.8 |
1.9 |
0.264 |
3 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]D:1102 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
14854 |
97.7 |
4.2 |
0.714 |
4 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]A:1102 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14983 |
96.9 |
4.2 |
0.702 |
5 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]B:1105 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15216 |
94.3 |
3.2 |
0.535 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]C:1104 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
15174 |
92.5 |
2.7 |
0.300 |
4 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]B:1103 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15216 |
85.6 |
2.3 |
0.409 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
[PO4]A:1103 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14983 |
85.3 |
-4.1 |
0.894 |
4 |
0 |
0 |
0.038 |
19 |
26 |
|
[PO4]D:1104 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
14854 |
85.0 |
-3.6 |
0.932 |
3 |
0 |
0 |
0.259 |
20 |
27 |
|
[EDO]D:1103 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
14854 |
82.2 |
2.4 |
0.307 |
3 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]D:1103 |
4 |
1 |
185 |
f |
C |
x-y,x,z-1/6 |
2_554 |
11 |
6 |
15174 |
73.7 |
1.4 |
0.200 |
1 |
0 |
0 |
0.000 |
22 |
29 |
|
[PO4]C:1102 |
4 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
15174 |
62.7 |
-3.0 |
0.894 |
2 |
0 |
0 |
0.043 |
23 |
30 |
|
[PO4]B:1106 |
4 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15216 |
62.2 |
-3.0 |
0.893 |
2 |
0 |
0 |
0.045 |
24 |
31 |
|
C |
9 |
3 |
15174 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
14983 |
60.6 |
-0.2 |
0.593 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[OCJ]B:1101 |
6 |
1 |
628 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
14854 |
57.6 |
0.2 |
0.340 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
6 |
4 |
15216 |
◊ |
[OCJ]C:1101 |
x-y,x,z+5/6 |
2_555 |
5 |
1 |
625 |
56.5 |
0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
34 |
|
[OCJ]D:1101 |
5 |
1 |
630 |
◊ |
C |
x-y,x,z-1/6 |
2_554 |
6 |
4 |
15174 |
53.8 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.000 |
35 |
|
[OCJ]A:1101 |
4 |
1 |
626 |
◊ |
A |
-y,x-y+1,z-1/3 |
3_564 |
4 |
2 |
14983 |
46.1 |
-0.3 |
0.249 |
0 |
0 |
0 |
0.000 |
Average: |
53.5 |
-0.0 |
0.307 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
C |
7 |
2 |
15174 |
◊ |
[PO4]B:1106 |
x,y,z-1 |
1_554 |
4 |
1 |
190 |
56.5 |
-2.9 |
0.783 |
1 |
0 |
0 |
0.000 |
27 |
37 |
|
[PO4]A:1104 |
4 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14983 |
54.6 |
-2.2 |
0.934 |
2 |
0 |
0 |
0.020 |
28 |
38 |
|
[EDO]B:1103 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
15174 |
53.2 |
0.6 |
0.652 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[PO4]C:1102 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15216 |
47.5 |
-2.7 |
0.563 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[PO4]A:1104 |
4 |
1 |
190 |
f |
[PO4]A:1103 |
x,y,z |
1_555 |
4 |
1 |
189 |
38.7 |
-3.6 |
0.973 |
0 |
0 |
0 |
0.023 |
31 |
41 |
|
C |
3 |
2 |
15174 |
x |
C |
x,y,z-1 |
1_554 |
7 |
2 |
15174 |
38.2 |
-0.7 |
0.325 |
0 |
0 |
0 |
0.000 |
42 |
|
B |
7 |
3 |
15216 |
x |
B |
x,y,z-1 |
1_554 |
6 |
3 |
15216 |
34.2 |
-0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
4 |
2 |
14983 |
x |
A |
x,y,z-1 |
1_554 |
6 |
3 |
14983 |
19.6 |
-0.3 |
0.531 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
3 |
2 |
14854 |
x |
D |
x,y,z-1 |
1_554 |
3 |
3 |
14854 |
10.0 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
25.5 |
-0.4 |
0.467 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[PO4]A:1104 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15216 |
30.1 |
-0.4 |
0.965 |
2 |
0 |
0 |
0.000 |
33 |
46 |
|
D |
6 |
3 |
14854 |
◊ |
[PO4]D:1104 |
-x-1,-y,z-1/2 |
4_454 |
2 |
1 |
189 |
26.1 |
-1.7 |
0.688 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
D |
4 |
2 |
14854 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14983 |
21.1 |
0.6 |
0.796 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[EDO]B:1104 |
4 |
1 |
181 |
f |
[EDO]B:1103 |
x,y,z |
1_555 |
2 |
1 |
186 |
18.7 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[EDO]D:1105 |
2 |
1 |
183 |
◊ |
C |
x-y,x,z-1/6 |
2_554 |
1 |
1 |
15174 |
17.0 |
0.7 |
0.957 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[EDO]B:1104 |
1 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15174 |
2.6 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[PO4]A:1103 |
1 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15216 |
0.9 |
-0.0 |
0.776 |
0 |
0 |
0 |
0.000 |
|