## |
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 |
|
B |
77 |
26 |
14360 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
80 |
24 |
14562 |
810.8 |
-15.6 |
0.339 |
3 |
0 |
0 |
0.175 |
2 |
2 |
|
I |
87 |
24 |
5794 |
◊ |
H |
x,y,z |
1_555 |
88 |
23 |
6250 |
759.8 |
-12.1 |
0.114 |
6 |
0 |
0 |
1.000 |
3 |
|
G |
87 |
24 |
5853 |
◊ |
F |
x,y,z |
1_555 |
92 |
22 |
6279 |
750.7 |
-12.5 |
0.103 |
8 |
0 |
0 |
1.000 |
4 |
|
E |
88 |
24 |
5726 |
◊ |
D |
x,y,z |
1_555 |
84 |
21 |
6314 |
743.6 |
-12.3 |
0.111 |
7 |
0 |
0 |
1.000 |
Average: |
751.4 |
-12.3 |
0.109 |
7 |
0 |
0 |
1.000 |
3 |
5 |
|
A |
68 |
20 |
14562 |
◊ |
C |
-x-1/2,-y-1,z-1/2 |
2_444 |
59 |
16 |
15250 |
595.5 |
-14.1 |
0.276 |
1 |
0 |
0 |
0.140 |
4 |
6 |
|
[OLB]C:404 |
25 |
1 |
712 |
f |
C |
x,y,z |
1_555 |
82 |
26 |
15250 |
518.5 |
-3.0 |
0.589 |
3 |
0 |
0 |
0.042 |
5 |
7 |
|
I |
49 |
12 |
5794 |
◊ |
C |
x,y,z |
1_555 |
58 |
17 |
15250 |
476.8 |
-2.6 |
0.676 |
6 |
0 |
0 |
0.022 |
6 |
8 |
|
G |
49 |
12 |
5853 |
◊ |
B |
x,y,z |
1_555 |
60 |
17 |
14360 |
463.7 |
-3.8 |
0.634 |
5 |
0 |
0 |
0.050 |
9 |
|
E |
44 |
11 |
5726 |
◊ |
A |
x,y,z |
1_555 |
50 |
12 |
14562 |
414.3 |
-2.6 |
0.652 |
7 |
0 |
0 |
0.050 |
Average: |
439.0 |
-3.2 |
0.643 |
6 |
0 |
0 |
0.050 |
7 |
10 |
|
H |
51 |
17 |
6250 |
◊ |
C |
x,y,z |
1_555 |
36 |
12 |
15250 |
421.5 |
-0.7 |
0.722 |
5 |
5 |
0 |
0.044 |
11 |
|
D |
51 |
17 |
6314 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
14562 |
419.3 |
0.2 |
0.782 |
6 |
5 |
0 |
0.044 |
12 |
|
F |
49 |
17 |
6279 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
14360 |
413.0 |
0.8 |
0.787 |
8 |
6 |
0 |
0.044 |
Average: |
417.9 |
0.1 |
0.764 |
6 |
5 |
0 |
0.044 |
8 |
13 |
|
I |
47 |
18 |
5794 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
18 |
5853 |
407.8 |
-1.2 |
0.587 |
9 |
0 |
0 |
0.000 |
9 |
14 |
|
[OLB]C:403 |
24 |
1 |
695 |
f |
C |
x,y,z |
1_555 |
64 |
21 |
15250 |
401.3 |
-2.0 |
0.523 |
2 |
0 |
0 |
0.028 |
10 |
15 |
|
[OLA]A:402 |
20 |
1 |
567 |
f |
A |
x,y,z |
1_555 |
70 |
22 |
14562 |
399.9 |
1.3 |
0.645 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
A |
42 |
12 |
14562 |
◊ |
D |
-x-1/2,-y-1,z-1/2 |
2_444 |
36 |
10 |
6314 |
360.6 |
-5.0 |
0.324 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
40 |
14 |
14360 |
◊ |
A |
x,y,z |
1_555 |
40 |
10 |
14562 |
355.4 |
-6.8 |
0.417 |
0 |
0 |
0 |
0.029 |
13 |
18 |
|
E |
45 |
18 |
5726 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
12 |
6250 |
333.3 |
-3.4 |
0.409 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
[OLA]A:403 |
13 |
1 |
405 |
f |
A |
x,y,z |
1_555 |
48 |
17 |
14562 |
281.0 |
6.0 |
0.615 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
F |
33 |
10 |
6279 |
◊ |
D |
x,y,z |
1_555 |
30 |
12 |
6314 |
280.7 |
-1.6 |
0.618 |
2 |
2 |
0 |
0.012 |
16 |
21 |
|
I |
28 |
11 |
5794 |
◊ |
E |
x,y,z |
1_555 |
30 |
10 |
5726 |
268.3 |
1.8 |
0.832 |
6 |
0 |
0 |
0.000 |
17 |
22 |
|
H |
28 |
12 |
6250 |
◊ |
F |
x,y,z |
1_555 |
20 |
10 |
6279 |
180.9 |
-1.0 |
0.606 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[PO4]C:401 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
15250 |
75.7 |
-4.7 |
0.897 |
2 |
0 |
0 |
0.053 |
19 |
24 |
|
[PO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14360 |
73.6 |
-4.7 |
0.890 |
3 |
0 |
0 |
0.062 |
20 |
25 |
|
[PO4]A:401 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14562 |
65.5 |
-4.3 |
0.814 |
4 |
0 |
0 |
0.063 |
21 |
26 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
14360 |
51.0 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.755 |
27 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
14562 |
50.9 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.755 |
28 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
15250 |
37.8 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.755 |
Average: |
46.6 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.755 |
22 |
29 |
|
[PO4]B:401 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
5853 |
48.0 |
-1.7 |
0.933 |
2 |
0 |
0 |
0.011 |
23 |
30 |
|
[PO4]A:401 |
5 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
5726 |
44.3 |
-2.7 |
0.545 |
0 |
0 |
0 |
0.011 |
24 |
31 |
|
H |
7 |
1 |
6250 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
6314 |
44.3 |
-0.2 |
0.611 |
0 |
1 |
0 |
0.000 |
25 |
32 |
|
[PO4]C:401 |
4 |
1 |
189 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
5794 |
43.4 |
-1.4 |
0.947 |
1 |
0 |
0 |
0.008 |
26 |
33 |
|
[OLB]C:404 |
6 |
1 |
712 |
f |
[ZN]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.121 |
27 |
34 |
|
[OLA]A:403 |
3 |
1 |
405 |
f |
[OLA]A:402 |
x,y,z |
1_555 |
3 |
1 |
567 |
29.1 |
0.1 |
0.119 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[OLB]C:404 |
3 |
1 |
712 |
f |
[OLB]C:403 |
x,y,z |
1_555 |
4 |
1 |
695 |
25.5 |
-0.5 |
0.341 |
0 |
0 |
0 |
0.005 |
29 |
36 |
|
A |
2 |
2 |
14562 |
◊ |
[OLB]C:403 |
-x-1/2,-y-1,z-1/2 |
2_444 |
4 |
1 |
695 |
25.4 |
-0.2 |
0.310 |
0 |
0 |
0 |
0.002 |
30 |
37 |
|
F |
3 |
2 |
6279 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15250 |
7.8 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
[OLA]A:402 |
x,y,z |
1_555 |
1 |
1 |
567 |
4.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
39 |
|
F |
1 |
1 |
6279 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14562 |
1.5 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
F |
2 |
2 |
6279 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
15250 |
0.6 |
-0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
|