## |
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 |
|
E |
122 |
32 |
13680 |
◊ |
C |
x,y,z |
1_555 |
117 |
27 |
12429 |
1105.5 |
-15.8 |
0.136 |
6 |
0 |
0 |
0.285 |
2 |
|
D |
87 |
21 |
12075 |
◊ |
B |
x,y,z |
1_555 |
82 |
22 |
12429 |
807.3 |
-13.3 |
0.086 |
4 |
0 |
0 |
0.285 |
Average: |
956.4 |
-14.5 |
0.111 |
5 |
0 |
0 |
0.285 |
2 |
3 |
|
F |
109 |
26 |
12415 |
◊ |
A |
x,y,z |
1_555 |
111 |
29 |
13820 |
970.7 |
-13.8 |
0.123 |
5 |
0 |
0 |
0.236 |
3 |
4 |
|
B |
74 |
23 |
12429 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
75 |
23 |
12429 |
696.3 |
0.1 |
0.789 |
10 |
2 |
0 |
0.009 |
4 |
5 |
|
C |
77 |
24 |
12429 |
◊ |
A |
x,y,z |
1_555 |
74 |
18 |
13820 |
630.9 |
-1.4 |
0.633 |
9 |
8 |
0 |
0.061 |
5 |
6 |
|
F |
63 |
19 |
12415 |
◊ |
E |
x,y,z |
1_555 |
64 |
17 |
13680 |
533.5 |
-2.3 |
0.610 |
7 |
7 |
0 |
0.039 |
7 |
|
B |
46 |
13 |
12429 |
◊ |
A |
x,y,z |
1_555 |
40 |
15 |
13820 |
364.1 |
-2.2 |
0.522 |
2 |
4 |
0 |
0.039 |
Average: |
448.8 |
-2.2 |
0.566 |
5 |
6 |
0 |
0.039 |
6 |
8 |
|
C |
57 |
15 |
12429 |
◊ |
B |
x,y,z |
1_555 |
57 |
21 |
12429 |
512.8 |
-2.0 |
0.538 |
6 |
4 |
0 |
0.049 |
9 |
|
F |
54 |
15 |
12415 |
◊ |
D |
x,y,z |
1_555 |
59 |
20 |
12075 |
503.8 |
-2.9 |
0.575 |
5 |
6 |
0 |
0.049 |
Average: |
508.3 |
-2.4 |
0.557 |
6 |
5 |
0 |
0.049 |
7 |
10 |
|
B |
45 |
10 |
12429 |
◊ |
A |
-x,y,-z |
5_555 |
45 |
15 |
13820 |
417.3 |
-0.2 |
0.443 |
4 |
2 |
0 |
0.000 |
8 |
11 |
|
E |
43 |
14 |
13680 |
◊ |
E |
-y,-x,-z+1/4 |
8_555 |
44 |
15 |
13680 |
335.3 |
-1.2 |
0.780 |
6 |
6 |
0 |
0.009 |
9 |
12 |
|
E |
35 |
16 |
13680 |
◊ |
D |
x,y,z |
1_555 |
42 |
12 |
12075 |
321.7 |
-1.5 |
0.647 |
3 |
4 |
0 |
0.013 |
10 |
13 |
|
D |
30 |
6 |
12075 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
13820 |
260.5 |
-2.2 |
0.496 |
0 |
2 |
0 |
0.010 |
11 |
14 |
|
E |
28 |
7 |
13680 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
12429 |
255.6 |
-3.3 |
0.356 |
0 |
2 |
0 |
0.014 |
12 |
15 |
|
E |
28 |
8 |
13680 |
◊ |
E |
-x+1,y,-z |
5_655 |
28 |
8 |
13680 |
240.3 |
-6.8 |
0.076 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
F |
28 |
8 |
12415 |
◊ |
C |
x,y,z |
1_555 |
28 |
6 |
12429 |
235.5 |
-2.9 |
0.328 |
1 |
2 |
0 |
0.031 |
14 |
17 |
|
F |
32 |
12 |
12415 |
◊ |
C |
x,y-1,z |
1_545 |
27 |
13 |
12429 |
233.5 |
1.0 |
0.801 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
F |
22 |
8 |
12415 |
◊ |
B |
x,y-1,z |
1_545 |
34 |
11 |
12429 |
200.7 |
-1.2 |
0.438 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
D |
19 |
5 |
12075 |
◊ |
C |
-y,-x,-z+1/4 |
8_555 |
19 |
6 |
12429 |
160.0 |
-2.3 |
0.341 |
3 |
0 |
0 |
0.013 |
17 |
20 |
|
E |
16 |
7 |
13680 |
◊ |
C |
x,y-1,z |
1_545 |
18 |
6 |
12429 |
147.0 |
0.7 |
0.774 |
1 |
2 |
0 |
0.000 |
18 |
21 |
|
E |
11 |
4 |
13680 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
13820 |
143.9 |
-2.3 |
0.160 |
0 |
0 |
0 |
0.009 |
19 |
22 |
|
E |
19 |
5 |
13680 |
◊ |
A |
-x+1,y,-z |
5_655 |
15 |
5 |
13820 |
142.4 |
-1.7 |
0.456 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
[PO4]F:301 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
12415 |
108.7 |
-7.5 |
0.734 |
6 |
0 |
0 |
0.149 |
21 |
24 |
|
[PO4]D:301 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
12075 |
104.8 |
-6.6 |
0.788 |
8 |
0 |
0 |
0.192 |
22 |
25 |
|
[PO4]A:301 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13820 |
102.9 |
-7.4 |
0.720 |
3 |
0 |
0 |
0.128 |
23 |
26 |
|
[PO4]E:301 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
13680 |
102.7 |
-6.9 |
0.781 |
8 |
0 |
0 |
0.142 |
24 |
27 |
|
[PO4]C:301 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
12429 |
102.2 |
-7.5 |
0.612 |
9 |
0 |
0 |
0.157 |
25 |
28 |
|
[PO4]B:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12429 |
101.8 |
-7.5 |
0.664 |
8 |
0 |
0 |
0.209 |
26 |
29 |
|
B |
10 |
4 |
12429 |
◊ |
B |
-x,y,-z |
5_555 |
10 |
4 |
12429 |
100.2 |
1.5 |
0.870 |
4 |
4 |
0 |
0.000 |
27 |
30 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13820 |
94.7 |
-14.8 |
0.740 |
3 |
0 |
0 |
0.237 |
28 |
31 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12429 |
94.3 |
-14.8 |
0.748 |
4 |
0 |
0 |
0.314 |
29 |
32 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
12429 |
93.4 |
-15.0 |
0.737 |
5 |
0 |
0 |
0.234 |
30 |
33 |
|
[SO4]E:302 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
13680 |
93.0 |
-14.6 |
0.805 |
3 |
0 |
0 |
0.216 |
31 |
34 |
|
[SO4]F:302 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
12415 |
92.0 |
-14.7 |
0.727 |
5 |
0 |
0 |
0.249 |
32 |
35 |
|
F |
9 |
3 |
12415 |
◊ |
A |
x,y-1,z |
1_545 |
15 |
6 |
13820 |
79.0 |
0.8 |
0.783 |
1 |
0 |
0 |
0.000 |
33 |
36 |
|
C |
10 |
4 |
12429 |
◊ |
A |
-x+1,y,-z |
5_655 |
7 |
4 |
13820 |
66.8 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
D |
10 |
6 |
12075 |
◊ |
A |
-y,x-1,z+1/4 |
3_545 |
7 |
5 |
13820 |
56.2 |
-0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[CU]D:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
12075 |
36.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.045 |
39 |
|
[CU]A:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12429 |
35.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
|
[CU]D:302 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
13680 |
35.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
35.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.045 |
36 |
41 |
|
[CU]A:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12429 |
35.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.096 |
42 |
|
[CU]A:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13820 |
34.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.096 |
43 |
|
[CU]D:302 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
12415 |
34.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
34.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.096 |
37 |
44 |
|
C |
5 |
3 |
12429 |
◊ |
C |
-x+1,y,-z |
5_655 |
5 |
3 |
12429 |
21.8 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
F |
2 |
2 |
12415 |
◊ |
E |
-x+1,y,-z |
5_655 |
2 |
2 |
13680 |
4.5 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
D |
2 |
1 |
12075 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
12429 |
2.1 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
|