## |
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 |
93 |
26 |
12755 |
◊ |
B |
x,y,z |
1_555 |
97 |
27 |
12241 |
922.3 |
-4.5 |
0.394 |
16 |
14 |
0 |
0.857 |
2 |
|
F |
97 |
27 |
12487 |
◊ |
D |
x,y,z |
1_555 |
93 |
27 |
12298 |
916.1 |
-5.1 |
0.326 |
16 |
13 |
0 |
0.857 |
3 |
|
C |
94 |
27 |
12755 |
◊ |
A |
x,y,z |
1_555 |
88 |
25 |
12968 |
909.6 |
-4.1 |
0.395 |
15 |
13 |
0 |
0.857 |
4 |
|
B |
96 |
26 |
12241 |
◊ |
A |
x,y,z |
1_555 |
97 |
27 |
12968 |
909.3 |
-6.6 |
0.251 |
15 |
14 |
0 |
0.857 |
5 |
|
F |
90 |
25 |
12487 |
◊ |
E |
x,y,z |
1_555 |
98 |
28 |
12767 |
897.0 |
-6.8 |
0.183 |
15 |
11 |
0 |
0.857 |
6 |
|
E |
90 |
25 |
12767 |
◊ |
D |
x,y,z |
1_555 |
98 |
28 |
12298 |
894.6 |
-5.7 |
0.284 |
14 |
11 |
0 |
0.857 |
Average: |
908.2 |
-5.4 |
0.305 |
15 |
13 |
0 |
0.857 |
2 |
7 |
|
A |
59 |
19 |
12968 |
◊ |
E |
x,y,z-1 |
1_554 |
51 |
16 |
12767 |
553.9 |
-4.9 |
0.214 |
7 |
2 |
0 |
0.000 |
8 |
|
C |
49 |
14 |
12755 |
◊ |
F |
x-1,y,z-1 |
1_454 |
58 |
18 |
12487 |
510.7 |
-3.1 |
0.383 |
6 |
2 |
0 |
0.000 |
Average: |
532.3 |
-4.0 |
0.298 |
7 |
2 |
0 |
0.000 |
3 |
9 |
|
B |
46 |
13 |
12241 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
46 |
14 |
12298 |
401.9 |
-0.3 |
0.652 |
7 |
1 |
0 |
0.000 |
4 |
10 |
|
E |
41 |
12 |
12767 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
12241 |
361.8 |
1.5 |
0.767 |
2 |
0 |
0 |
0.000 |
11 |
|
F |
43 |
14 |
12487 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
12968 |
355.2 |
1.0 |
0.727 |
2 |
0 |
0 |
0.000 |
12 |
|
D |
40 |
13 |
12298 |
◊ |
C |
x,y,z |
1_555 |
37 |
12 |
12755 |
317.1 |
1.3 |
0.766 |
2 |
0 |
0 |
0.000 |
Average: |
344.7 |
1.3 |
0.753 |
2 |
0 |
0 |
0.000 |
5 |
13 |
|
A |
29 |
9 |
12968 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
36 |
13 |
12298 |
296.5 |
3.3 |
0.890 |
9 |
9 |
0 |
0.000 |
6 |
14 |
|
E |
22 |
9 |
12767 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
22 |
6 |
12487 |
217.7 |
-0.0 |
0.607 |
3 |
1 |
0 |
0.000 |
7 |
15 |
|
B |
27 |
8 |
12241 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
29 |
11 |
12755 |
207.2 |
2.2 |
0.837 |
1 |
0 |
0 |
0.000 |
8 |
16 |
|
B |
20 |
7 |
12241 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
12968 |
180.7 |
-0.9 |
0.431 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
[1NP]B:602 |
11 |
1 |
300 |
◊ |
B |
x,y,z |
1_555 |
25 |
12 |
12241 |
144.8 |
4.2 |
0.101 |
1 |
0 |
0 |
0.000 |
18 |
|
[1NP]D:604 |
11 |
1 |
297 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
12298 |
140.6 |
3.7 |
0.097 |
0 |
0 |
0 |
0.000 |
Average: |
142.7 |
3.9 |
0.099 |
1 |
0 |
0 |
0.000 |
10 |
19 |
|
[1NP]E:505 |
11 |
1 |
297 |
f |
E |
x,y,z |
1_555 |
25 |
11 |
12767 |
143.4 |
4.3 |
0.084 |
2 |
0 |
0 |
0.000 |
11 |
20 |
|
[1NP]A:603 |
11 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
12968 |
138.7 |
3.7 |
0.086 |
1 |
0 |
0 |
0.000 |
21 |
|
[1NP]C:604 |
11 |
1 |
294 |
◊ |
C |
x,y,z |
1_555 |
23 |
10 |
12755 |
136.7 |
3.5 |
0.070 |
1 |
0 |
0 |
0.000 |
Average: |
137.7 |
3.6 |
0.078 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
[1NP]E:504 |
11 |
1 |
300 |
◊ |
D |
x,y,z |
1_555 |
30 |
7 |
12298 |
137.8 |
3.4 |
0.051 |
1 |
0 |
0 |
0.000 |
23 |
|
[1NP]A:605 |
11 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
12968 |
134.8 |
3.7 |
0.062 |
1 |
0 |
0 |
0.000 |
24 |
|
[1NP]C:603 |
11 |
1 |
298 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
12241 |
129.3 |
3.5 |
0.049 |
1 |
0 |
0 |
0.000 |
25 |
|
[1NP]D:603 |
11 |
1 |
294 |
◊ |
F |
x,y,z |
1_555 |
30 |
7 |
12487 |
127.5 |
3.4 |
0.087 |
0 |
0 |
0 |
0.000 |
26 |
|
[1NP]F:401 |
11 |
1 |
299 |
◊ |
E |
x,y,z |
1_555 |
27 |
7 |
12767 |
126.1 |
3.4 |
0.050 |
1 |
0 |
0 |
0.000 |
27 |
|
[1NP]A:604 |
11 |
1 |
302 |
◊ |
C |
x,y,z |
1_555 |
25 |
6 |
12755 |
123.9 |
3.4 |
0.052 |
1 |
0 |
0 |
0.000 |
Average: |
129.9 |
3.5 |
0.058 |
1 |
0 |
0 |
0.000 |
13 |
28 |
|
[1NP]F:402 |
11 |
1 |
297 |
◊ |
F |
x,y,z |
1_555 |
21 |
9 |
12487 |
128.2 |
3.3 |
0.048 |
1 |
0 |
0 |
0.000 |
14 |
29 |
|
[1NP]A:604 |
11 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
12968 |
111.1 |
2.9 |
0.020 |
1 |
0 |
0 |
0.000 |
30 |
|
[1NP]E:504 |
11 |
1 |
300 |
f |
E |
x,y,z |
1_555 |
21 |
5 |
12767 |
110.1 |
2.9 |
0.017 |
2 |
0 |
0 |
0.000 |
31 |
|
[1NP]F:401 |
11 |
1 |
299 |
f |
F |
x,y,z |
1_555 |
21 |
5 |
12487 |
109.6 |
3.0 |
0.023 |
2 |
0 |
0 |
0.000 |
32 |
|
[1NP]C:603 |
11 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
19 |
5 |
12755 |
109.1 |
2.9 |
0.020 |
2 |
0 |
0 |
0.000 |
33 |
|
[1NP]A:605 |
11 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
21 |
5 |
12241 |
107.0 |
2.9 |
0.019 |
2 |
0 |
0 |
0.000 |
34 |
|
[1NP]D:603 |
11 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
12298 |
105.5 |
2.9 |
0.036 |
2 |
0 |
0 |
0.000 |
Average: |
108.7 |
2.9 |
0.022 |
2 |
0 |
0 |
0.000 |
15 |
35 |
|
[PO4]E:502 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
16 |
9 |
12767 |
95.1 |
-6.3 |
0.670 |
5 |
0 |
0 |
0.170 |
16 |
36 |
|
[PO4]B:601 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12241 |
93.0 |
-6.4 |
0.630 |
5 |
0 |
0 |
0.162 |
17 |
37 |
|
[1NP]B:602 |
10 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
15 |
3 |
12968 |
91.9 |
2.8 |
0.016 |
0 |
0 |
0 |
0.000 |
38 |
|
[1NP]D:604 |
10 |
1 |
297 |
f |
F |
x,y,z |
1_555 |
14 |
3 |
12487 |
84.6 |
2.5 |
0.015 |
0 |
0 |
0 |
0.000 |
Average: |
88.3 |
2.6 |
0.016 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
[1NP]E:505 |
10 |
1 |
297 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
12298 |
82.9 |
2.3 |
0.004 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
[PO4]A:601 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12968 |
82.6 |
-5.8 |
0.554 |
3 |
0 |
0 |
0.387 |
20 |
41 |
|
[PO4]E:501 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
12767 |
82.5 |
-5.7 |
0.550 |
3 |
0 |
0 |
0.140 |
21 |
42 |
|
[PO4]D:601 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
12298 |
82.4 |
-5.8 |
0.565 |
3 |
0 |
0 |
0.143 |
22 |
43 |
|
[PO4]C:601 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12755 |
81.9 |
-5.6 |
0.568 |
3 |
0 |
0 |
0.131 |
23 |
44 |
|
[1NP]C:604 |
10 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
12241 |
80.9 |
2.5 |
0.015 |
0 |
0 |
0 |
0.000 |
45 |
|
[1NP]A:603 |
10 |
1 |
298 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
12755 |
78.1 |
2.4 |
0.011 |
0 |
0 |
0 |
0.000 |
Average: |
79.5 |
2.4 |
0.013 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
E |
11 |
5 |
12767 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
10 |
3 |
12298 |
75.7 |
1.0 |
0.748 |
0 |
0 |
0 |
0.000 |
25 |
47 |
|
[1NP]F:402 |
8 |
1 |
297 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
12767 |
74.1 |
2.4 |
0.048 |
0 |
0 |
0 |
0.000 |
26 |
48 |
|
[PO4]D:602 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
12487 |
70.6 |
-4.0 |
0.783 |
2 |
0 |
0 |
0.549 |
27 |
49 |
|
B |
5 |
2 |
12241 |
◊ |
E |
x-1,y,z-1 |
1_454 |
10 |
3 |
12767 |
70.1 |
-0.7 |
0.317 |
1 |
0 |
0 |
0.000 |
50 |
|
C |
2 |
2 |
12755 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
12298 |
14.1 |
0.6 |
0.824 |
0 |
0 |
0 |
0.000 |
Average: |
42.1 |
-0.1 |
0.570 |
1 |
0 |
0 |
0.000 |
28 |
51 |
|
[PO4]C:602 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12241 |
69.6 |
-3.7 |
0.849 |
3 |
0 |
0 |
0.096 |
29 |
52 |
|
[PO4]A:602 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12755 |
66.9 |
-4.0 |
0.817 |
3 |
0 |
0 |
0.101 |
30 |
53 |
|
[PO4]D:602 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
12298 |
64.2 |
-3.7 |
0.797 |
2 |
0 |
0 |
0.091 |
31 |
54 |
|
[PO4]E:503 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
12767 |
63.3 |
-3.4 |
0.821 |
3 |
0 |
0 |
0.095 |
32 |
55 |
|
[PO4]C:602 |
4 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12755 |
62.6 |
-3.4 |
0.817 |
2 |
0 |
0 |
0.081 |
33 |
56 |
|
[PO4]A:602 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
12968 |
61.5 |
-3.3 |
0.834 |
2 |
0 |
0 |
0.080 |
34 |
57 |
|
[PO4]A:606 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12241 |
55.7 |
-2.4 |
0.904 |
1 |
0 |
0 |
0.053 |
35 |
58 |
|
[PO4]A:606 |
5 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
12755 |
54.1 |
-2.2 |
0.912 |
1 |
0 |
0 |
0.050 |
36 |
59 |
|
[PO4]E:503 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
12487 |
53.7 |
-2.8 |
0.780 |
2 |
0 |
0 |
0.074 |
37 |
60 |
|
[PO4]A:606 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
12968 |
53.4 |
-2.1 |
0.898 |
1 |
0 |
0 |
0.049 |
38 |
61 |
|
E |
8 |
3 |
12767 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
3 |
12755 |
38.6 |
0.7 |
0.742 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[PO4]E:503 |
4 |
1 |
188 |
f |
[PO4]E:502 |
x,y,z |
1_555 |
4 |
1 |
188 |
36.5 |
-3.3 |
0.973 |
0 |
0 |
0 |
0.066 |
40 |
63 |
|
[1NP]A:604 |
6 |
1 |
302 |
◊ |
[1NP]A:603 |
x,y,z |
1_555 |
4 |
1 |
298 |
34.1 |
2.2 |
0.002 |
0 |
0 |
0 |
0.000 |
64 |
|
[1NP]C:604 |
4 |
1 |
294 |
◊ |
[1NP]C:603 |
x,y,z |
1_555 |
6 |
1 |
298 |
33.0 |
2.2 |
0.002 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
2.2 |
0.002 |
0 |
0 |
0 |
0.000 |
41 |
65 |
|
[1NP]F:402 |
3 |
1 |
297 |
◊ |
[1NP]F:401 |
x,y,z |
1_555 |
7 |
1 |
299 |
32.7 |
2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
66 |
|
[1NP]D:604 |
4 |
1 |
297 |
◊ |
[1NP]D:603 |
x,y,z |
1_555 |
6 |
1 |
294 |
32.1 |
2.1 |
0.004 |
0 |
0 |
0 |
0.000 |
67 |
|
[1NP]B:602 |
4 |
1 |
300 |
◊ |
[1NP]A:605 |
x,y,z |
1_555 |
5 |
1 |
298 |
30.6 |
2.0 |
0.003 |
0 |
0 |
0 |
0.000 |
Average: |
31.3 |
2.1 |
0.003 |
0 |
0 |
0 |
0.000 |
43 |
68 |
|
[1NP]E:505 |
2 |
1 |
297 |
f |
[1NP]E:504 |
x,y,z |
1_555 |
6 |
1 |
300 |
31.8 |
2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
[PO4]B:601 |
3 |
1 |
187 |
◊ |
E |
x-1,y,z-1 |
1_454 |
3 |
1 |
12767 |
30.1 |
-1.3 |
0.853 |
2 |
0 |
0 |
0.000 |
45 |
70 |
|
[1NP]A:603 |
3 |
1 |
298 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
189 |
29.8 |
-0.9 |
0.201 |
0 |
0 |
0 |
0.016 |
46 |
71 |
|
[1NP]C:604 |
3 |
1 |
294 |
f |
[PO4]C:602 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.5 |
-0.7 |
0.209 |
0 |
0 |
0 |
0.013 |
47 |
72 |
|
[1NP]D:604 |
3 |
1 |
297 |
f |
[PO4]D:602 |
x,y,z |
1_555 |
4 |
1 |
188 |
24.8 |
-0.6 |
0.167 |
0 |
0 |
0 |
0.066 |
48 |
73 |
|
[1NP]F:402 |
3 |
1 |
297 |
f |
[PO4]E:503 |
x,y,z |
1_555 |
4 |
1 |
188 |
19.6 |
-0.5 |
0.999 |
1 |
0 |
0 |
0.019 |
49 |
74 |
|
[1NP]F:402 |
2 |
1 |
297 |
f |
[PO4]E:502 |
x,y,z |
1_555 |
1 |
1 |
188 |
11.3 |
-0.4 |
0.163 |
0 |
0 |
0 |
0.008 |
50 |
75 |
|
[PO4]E:502 |
1 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12487 |
5.7 |
-0.2 |
0.809 |
0 |
0 |
0 |
0.004 |
51 |
76 |
|
F |
1 |
1 |
12487 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12241 |
2.0 |
0.0 |
0.729 |
0 |
0 |
0 |
0.000 |
77 |
|
D |
1 |
1 |
12298 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12968 |
1.5 |
0.0 |
0.710 |
0 |
0 |
0 |
0.000 |
78 |
|
E |
1 |
1 |
12767 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12755 |
0.5 |
0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
|