## |
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 |
162 |
40 |
8265 |
◊ |
B |
x,y,z |
1_555 |
137 |
36 |
7649 |
1405.2 |
-17.6 |
0.126 |
15 |
10 |
0 |
0.213 |
2 |
|
F |
141 |
40 |
8404 |
◊ |
D |
x,y,z |
1_555 |
160 |
39 |
7823 |
1395.4 |
-15.1 |
0.159 |
17 |
13 |
0 |
0.213 |
3 |
|
B |
156 |
38 |
7649 |
◊ |
A |
x,y,z |
1_555 |
137 |
38 |
7817 |
1380.0 |
-13.8 |
0.198 |
18 |
13 |
0 |
0.213 |
4 |
|
C |
133 |
38 |
8265 |
◊ |
A |
x,y,z |
1_555 |
152 |
38 |
7817 |
1372.1 |
-14.7 |
0.149 |
17 |
10 |
0 |
0.213 |
5 |
|
F |
159 |
41 |
8404 |
◊ |
E |
x,y,z |
1_555 |
138 |
40 |
7748 |
1366.4 |
-16.7 |
0.098 |
15 |
9 |
0 |
0.213 |
6 |
|
E |
157 |
39 |
7748 |
◊ |
D |
x,y,z |
1_555 |
139 |
39 |
7823 |
1363.8 |
-14.8 |
0.104 |
16 |
13 |
0 |
0.213 |
Average: |
1380.5 |
-15.4 |
0.139 |
16 |
11 |
0 |
0.213 |
2 |
7 |
|
F |
71 |
23 |
8404 |
◊ |
C |
-x-1/2,-y+2,z-1/2 |
2_474 |
75 |
23 |
8265 |
667.8 |
-5.2 |
0.484 |
6 |
0 |
0 |
0.000 |
3 |
8 |
|
D |
41 |
11 |
7823 |
◊ |
E |
x-1/2,-y+5/2,-z |
4_475 |
44 |
13 |
7748 |
404.1 |
3.2 |
0.889 |
5 |
8 |
0 |
0.000 |
9 |
|
A |
40 |
11 |
7817 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
43 |
11 |
7649 |
384.7 |
2.6 |
0.888 |
4 |
7 |
0 |
0.000 |
Average: |
394.4 |
2.9 |
0.889 |
5 |
8 |
0 |
0.000 |
4 |
10 |
|
E |
34 |
12 |
7748 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
45 |
10 |
8404 |
365.6 |
-3.6 |
0.377 |
1 |
2 |
0 |
0.000 |
5 |
11 |
|
C |
47 |
11 |
8265 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
12 |
7649 |
355.1 |
-2.2 |
0.542 |
2 |
2 |
0 |
0.000 |
6 |
12 |
|
F |
18 |
4 |
8404 |
x |
F |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
3 |
8404 |
124.6 |
1.2 |
0.829 |
1 |
2 |
0 |
0.000 |
7 |
13 |
|
C |
12 |
3 |
8265 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
3 |
8265 |
113.7 |
0.3 |
0.725 |
0 |
2 |
0 |
0.000 |
8 |
14 |
|
F |
12 |
4 |
8404 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
8265 |
112.3 |
1.3 |
0.835 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
D |
18 |
4 |
7823 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
7817 |
111.7 |
2.3 |
0.897 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[K]C:138 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
8265 |
104.4 |
-84.9 |
0.000 |
0 |
0 |
0 |
0.489 |
17 |
|
[K]A:138 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
7817 |
101.7 |
-83.2 |
0.000 |
0 |
0 |
0 |
0.489 |
18 |
|
[K]F:138 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
10 |
8 |
8404 |
99.9 |
-82.2 |
0.000 |
0 |
0 |
0 |
0.489 |
19 |
|
[K]D:138 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
7823 |
99.4 |
-80.7 |
0.000 |
0 |
0 |
0 |
0.489 |
Average: |
101.4 |
-82.8 |
0.000 |
0 |
0 |
0 |
0.489 |
11 |
20 |
|
D |
11 |
4 |
7823 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
7649 |
97.2 |
-0.4 |
0.589 |
2 |
0 |
0 |
0.000 |
21 |
|
E |
12 |
3 |
7748 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
7817 |
87.8 |
-0.3 |
0.593 |
2 |
0 |
0 |
0.000 |
Average: |
92.5 |
-0.4 |
0.591 |
2 |
0 |
0 |
0.000 |
12 |
22 |
|
[PO4]F:139 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
8404 |
95.1 |
-3.9 |
0.852 |
9 |
0 |
0 |
0.023 |
13 |
23 |
|
[PO4]A:139 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
7817 |
94.9 |
-3.7 |
0.958 |
9 |
0 |
0 |
0.023 |
14 |
24 |
|
[PO4]D:139 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
7823 |
94.1 |
-5.5 |
0.788 |
10 |
0 |
0 |
0.028 |
15 |
25 |
|
[PO4]C:139 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8265 |
93.5 |
-5.3 |
0.910 |
9 |
0 |
0 |
0.027 |
16 |
26 |
|
[PO4]C:140 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
8265 |
91.1 |
-5.8 |
0.825 |
6 |
0 |
0 |
0.024 |
17 |
27 |
|
[PO4]F:140 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
8404 |
90.3 |
-5.8 |
0.833 |
5 |
0 |
0 |
0.023 |
18 |
28 |
|
[PO4]B:138 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
7649 |
89.9 |
-4.1 |
0.950 |
8 |
0 |
0 |
0.102 |
19 |
29 |
|
D |
7 |
2 |
7823 |
x |
D |
x-1/2,-y+5/2,-z |
4_475 |
7 |
3 |
7823 |
89.5 |
0.7 |
0.776 |
0 |
2 |
0 |
0.000 |
30 |
|
F |
10 |
3 |
8404 |
x |
E |
x-1/2,-y+5/2,-z |
4_475 |
10 |
4 |
7748 |
78.0 |
-0.3 |
0.566 |
1 |
1 |
0 |
0.000 |
31 |
|
A |
4 |
2 |
7817 |
x |
A |
x-1/2,-y+3/2,-z |
4_465 |
4 |
3 |
7817 |
38.4 |
0.5 |
0.771 |
1 |
2 |
0 |
0.000 |
32 |
|
C |
7 |
3 |
8265 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
3 |
2 |
7649 |
28.2 |
-0.6 |
0.366 |
0 |
0 |
0 |
0.000 |
Average: |
58.5 |
0.1 |
0.619 |
1 |
1 |
0 |
0.000 |
20 |
33 |
|
[PO4]E:138 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
7748 |
88.2 |
-4.7 |
0.908 |
7 |
0 |
0 |
0.100 |
21 |
34 |
|
[PO4]D:141 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
7823 |
84.6 |
-4.8 |
0.840 |
5 |
0 |
0 |
0.020 |
22 |
35 |
|
[PO4]A:140 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
7817 |
84.2 |
-4.7 |
0.862 |
5 |
0 |
0 |
0.020 |
23 |
36 |
|
[EDO]D:142 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
7823 |
74.9 |
2.9 |
0.324 |
2 |
0 |
0 |
0.000 |
24 |
37 |
|
[PO4]D:140 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
7823 |
59.9 |
-3.7 |
0.625 |
2 |
0 |
0 |
0.013 |
25 |
38 |
|
[PO4]D:140 |
5 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
13 |
3 |
8404 |
56.7 |
-2.2 |
0.903 |
2 |
0 |
0 |
0.009 |
26 |
39 |
|
[CL]C:141 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8265 |
53.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.021 |
27 |
40 |
|
[PO4]D:140 |
5 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
7748 |
52.3 |
-1.9 |
0.921 |
2 |
0 |
0 |
0.008 |
28 |
41 |
|
[K]D:138 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
7748 |
46.4 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.131 |
42 |
|
[K]F:138 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
7823 |
44.1 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.131 |
43 |
|
[K]A:138 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
7649 |
42.1 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.131 |
44 |
|
[K]C:138 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
7817 |
41.8 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
43.6 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.131 |
29 |
45 |
|
[EDO]D:142 |
3 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
7748 |
44.5 |
1.3 |
0.821 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
[PO4]B:138 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
8265 |
43.2 |
-2.7 |
0.643 |
0 |
0 |
0 |
0.008 |
31 |
47 |
|
[PO4]E:138 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
8404 |
42.0 |
-2.6 |
0.600 |
0 |
0 |
0 |
0.007 |
32 |
48 |
|
[PO4]D:139 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
7748 |
40.3 |
-2.5 |
0.541 |
0 |
0 |
0 |
0.007 |
33 |
49 |
|
[PO4]F:139 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
7823 |
38.3 |
-2.4 |
0.547 |
0 |
0 |
0 |
0.007 |
34 |
50 |
|
[PO4]A:139 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
7649 |
36.3 |
-2.4 |
0.554 |
0 |
0 |
0 |
0.007 |
35 |
51 |
|
[PO4]C:139 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
7817 |
33.6 |
-2.1 |
0.596 |
0 |
0 |
0 |
0.006 |
36 |
52 |
|
[EDO]D:142 |
2 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7817 |
32.6 |
1.0 |
0.931 |
1 |
0 |
0 |
0.000 |
37 |
53 |
|
D |
2 |
2 |
7823 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8265 |
23.2 |
0.6 |
0.834 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
[PO4]E:138 |
3 |
1 |
185 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
8404 |
21.7 |
-1.4 |
0.683 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
C |
4 |
2 |
8265 |
◊ |
[PO4]B:138 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
188 |
19.6 |
-0.6 |
0.919 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
F |
3 |
1 |
8404 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7817 |
15.3 |
0.5 |
0.838 |
0 |
0 |
0 |
0.000 |
41 |
57 |
|
[PO4]D:139 |
1 |
1 |
185 |
f |
[K]D:138 |
x,y,z |
1_555 |
1 |
1 |
216 |
9.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.015 |
42 |
58 |
|
[PO4]A:139 |
1 |
1 |
187 |
f |
[K]A:138 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.011 |
43 |
59 |
|
[CL]C:141 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
7649 |
7.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
60 |
|
[PO4]F:139 |
1 |
1 |
188 |
f |
[K]F:138 |
x,y,z |
1_555 |
1 |
1 |
216 |
6.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.010 |
45 |
61 |
|
[EDO]D:142 |
1 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
7649 |
5.2 |
0.1 |
0.898 |
0 |
0 |
0 |
0.000 |
46 |
62 |
|
[PO4]C:139 |
2 |
1 |
187 |
f |
[K]C:138 |
x,y,z |
1_555 |
1 |
1 |
216 |
4.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.006 |
47 |
63 |
|
[PO4]C:140 |
1 |
1 |
189 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
7649 |
3.2 |
-0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
48 |
64 |
|
F |
1 |
1 |
8404 |
◊ |
[PO4]F:140 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
188 |
3.0 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.000 |
49 |
65 |
|
[PO4]C:140 |
1 |
1 |
189 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
8265 |
1.8 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
E |
1 |
1 |
7748 |
◊ |
[PO4]F:140 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
188 |
0.8 |
-0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
51 |
67 |
|
[PO4]C:140 |
1 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7817 |
0.4 |
-0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
|