## |
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 |
|
P |
200 |
53 |
15065 |
◊ |
O |
x,y,z |
1_555 |
201 |
56 |
15089 |
1936.7 |
-17.9 |
0.211 |
27 |
18 |
0 |
0.318 |
2 |
|
R |
205 |
54 |
14987 |
◊ |
Q |
x,y,z |
1_555 |
203 |
53 |
15131 |
1915.5 |
-17.6 |
0.220 |
27 |
17 |
0 |
0.318 |
Average: |
1926.1 |
-17.8 |
0.215 |
27 |
18 |
0 |
0.318 |
2 |
3 |
|
Q |
134 |
41 |
15131 |
◊ |
P |
x,y,z |
1_555 |
138 |
42 |
15065 |
1315.2 |
-22.4 |
0.019 |
10 |
0 |
0 |
0.260 |
4 |
|
R |
136 |
42 |
14987 |
◊ |
O |
x,y,z |
1_555 |
136 |
42 |
15089 |
1300.0 |
-23.5 |
0.011 |
10 |
1 |
0 |
0.260 |
Average: |
1307.6 |
-23.0 |
0.015 |
10 |
1 |
0 |
0.260 |
3 |
5 |
|
[NAD]P:401 |
42 |
1 |
832 |
f |
P |
x,y,z |
1_555 |
73 |
31 |
15065 |
544.9 |
-5.6 |
0.433 |
4 |
0 |
0 |
0.138 |
6 |
|
[NAD]Q:401 |
42 |
1 |
833 |
f |
Q |
x,y,z |
1_555 |
73 |
31 |
15131 |
543.7 |
-5.1 |
0.453 |
4 |
0 |
0 |
0.138 |
7 |
|
[NAD]R:401 |
41 |
1 |
829 |
f |
R |
x,y,z |
1_555 |
79 |
30 |
14987 |
541.6 |
-5.2 |
0.444 |
4 |
0 |
0 |
0.138 |
8 |
|
[NAD]O:401 |
41 |
1 |
830 |
f |
O |
x,y,z |
1_555 |
74 |
31 |
15089 |
536.5 |
-5.4 |
0.444 |
5 |
0 |
0 |
0.138 |
Average: |
541.7 |
-5.3 |
0.444 |
4 |
0 |
0 |
0.138 |
4 |
9 |
|
Q |
58 |
17 |
15131 |
◊ |
O |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
50 |
14 |
15089 |
511.4 |
0.5 |
0.759 |
1 |
1 |
0 |
0.000 |
5 |
10 |
|
Q |
56 |
16 |
15131 |
◊ |
O |
x,y,z |
1_555 |
56 |
16 |
15089 |
491.4 |
2.0 |
0.840 |
4 |
6 |
0 |
0.008 |
11 |
|
R |
55 |
16 |
14987 |
◊ |
P |
x,y,z |
1_555 |
59 |
16 |
15065 |
483.6 |
1.0 |
0.785 |
4 |
6 |
0 |
0.008 |
Average: |
487.5 |
1.5 |
0.813 |
4 |
6 |
0 |
0.008 |
6 |
12 |
|
O |
36 |
10 |
15089 |
◊ |
P |
-y-1/2,x+1/2,z+1/4 |
3_455 |
37 |
10 |
15065 |
337.8 |
-1.4 |
0.571 |
0 |
6 |
0 |
0.000 |
7 |
13 |
|
Q |
32 |
10 |
15131 |
◊ |
R |
x,y-1,z |
1_545 |
31 |
9 |
14987 |
247.5 |
1.4 |
0.769 |
1 |
1 |
0 |
0.000 |
8 |
14 |
|
[DG4]P:402 |
14 |
1 |
359 |
f |
P |
x,y,z |
1_555 |
29 |
14 |
15065 |
207.9 |
-3.4 |
0.516 |
2 |
0 |
0 |
0.042 |
9 |
15 |
|
R |
20 |
7 |
14987 |
◊ |
P |
y-1,x,-z |
7_455 |
22 |
9 |
15065 |
199.0 |
0.4 |
0.706 |
2 |
1 |
0 |
0.000 |
10 |
16 |
|
O |
23 |
9 |
15089 |
◊ |
R |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
15 |
4 |
14987 |
171.3 |
-1.4 |
0.465 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[G3H]R:402 |
10 |
1 |
307 |
f |
R |
x,y,z |
1_555 |
18 |
10 |
14987 |
148.4 |
-5.1 |
0.423 |
1 |
0 |
0 |
0.055 |
12 |
18 |
|
[G3H]O:402 |
10 |
1 |
286 |
f |
O |
x,y,z |
1_555 |
19 |
11 |
15089 |
147.6 |
-1.2 |
0.656 |
1 |
0 |
0 |
0.015 |
13 |
19 |
|
Q |
19 |
6 |
15131 |
◊ |
P |
y-1,x,-z |
7_455 |
14 |
4 |
15065 |
141.8 |
-1.9 |
0.343 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[G3H]Q:402 |
10 |
1 |
306 |
f |
Q |
x,y,z |
1_555 |
17 |
9 |
15131 |
135.8 |
-3.7 |
0.481 |
1 |
0 |
0 |
0.041 |
15 |
21 |
|
R |
13 |
5 |
14987 |
◊ |
O |
x-1,y,z |
1_455 |
14 |
4 |
15089 |
126.0 |
0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
Q |
11 |
5 |
15131 |
◊ |
O |
x-1,y,z |
1_455 |
20 |
7 |
15089 |
111.8 |
-0.9 |
0.486 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[G3H]Q:402 |
9 |
1 |
306 |
f |
[NAD]Q:401 |
x,y,z |
1_555 |
20 |
1 |
833 |
105.7 |
-2.4 |
0.672 |
0 |
0 |
0 |
0.024 |
18 |
24 |
|
[PO4]P:403 |
5 |
1 |
188 |
f |
P |
x,y,z |
1_555 |
15 |
7 |
15065 |
104.8 |
-7.5 |
0.677 |
1 |
0 |
0 |
0.077 |
19 |
25 |
|
[PO4]O:403 |
5 |
1 |
187 |
f |
O |
x,y,z |
1_555 |
12 |
7 |
15089 |
103.7 |
-7.0 |
0.734 |
2 |
0 |
0 |
0.071 |
20 |
26 |
|
[PO4]Q:403 |
5 |
1 |
188 |
f |
Q |
x,y,z |
1_555 |
12 |
7 |
15131 |
103.2 |
-6.9 |
0.726 |
2 |
0 |
0 |
0.077 |
21 |
27 |
|
[PO4]R:403 |
5 |
1 |
189 |
f |
R |
x,y,z |
1_555 |
14 |
7 |
14987 |
100.7 |
-7.5 |
0.576 |
1 |
0 |
0 |
0.079 |
22 |
28 |
|
[G3H]R:402 |
8 |
1 |
307 |
f |
[NAD]R:401 |
x,y,z |
1_555 |
19 |
1 |
829 |
95.2 |
-2.8 |
0.678 |
0 |
0 |
0 |
0.028 |
23 |
29 |
|
[EDO]O:405 |
4 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
14 |
6 |
15089 |
84.2 |
2.0 |
0.274 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[EDO]R:405 |
4 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
12 |
6 |
14987 |
81.1 |
2.0 |
0.268 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
P |
10 |
5 |
15065 |
◊ |
O |
y,x,-z |
7_555 |
12 |
5 |
15089 |
77.0 |
-0.5 |
0.514 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]Q:405 |
4 |
1 |
184 |
f |
Q |
x,y,z |
1_555 |
10 |
5 |
15131 |
74.6 |
2.5 |
0.909 |
1 |
0 |
0 |
0.000 |
27 |
33 |
|
[CL]Q:406 |
1 |
1 |
125 |
f |
Q |
x,y,z |
1_555 |
13 |
5 |
15131 |
71.7 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.199 |
34 |
|
[CL]R:406 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
12 |
4 |
14987 |
70.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.199 |
35 |
|
[CL]O:406 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
12 |
5 |
15089 |
70.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.199 |
36 |
|
[CL]P:405 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
12 |
4 |
15065 |
69.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.199 |
Average: |
70.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.199 |
28 |
37 |
|
[CL]O:407 |
1 |
1 |
125 |
f |
O |
x,y,z |
1_555 |
15 |
6 |
15089 |
67.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.093 |
29 |
38 |
|
[G3H]O:402 |
4 |
1 |
286 |
f |
[NAD]O:401 |
x,y,z |
1_555 |
12 |
1 |
830 |
65.3 |
-5.3 |
0.331 |
0 |
0 |
0 |
0.048 |
30 |
39 |
|
[PO4]Q:404 |
4 |
1 |
187 |
f |
Q |
x,y,z |
1_555 |
8 |
2 |
15131 |
64.5 |
-3.0 |
0.861 |
0 |
0 |
0 |
0.030 |
31 |
40 |
|
[PO4]R:404 |
4 |
1 |
187 |
f |
R |
x,y,z |
1_555 |
8 |
3 |
14987 |
62.4 |
-2.9 |
0.866 |
0 |
0 |
0 |
0.029 |
32 |
41 |
|
[PO4]P:404 |
4 |
1 |
190 |
f |
P |
x,y,z |
1_555 |
7 |
2 |
15065 |
62.3 |
-2.7 |
0.882 |
0 |
0 |
0 |
0.026 |
33 |
42 |
|
[DG4]P:402 |
7 |
1 |
359 |
f |
[NAD]P:401 |
x,y,z |
1_555 |
12 |
1 |
832 |
62.3 |
-0.8 |
0.639 |
0 |
0 |
0 |
0.008 |
34 |
43 |
|
[PO4]O:404 |
5 |
1 |
188 |
f |
O |
x,y,z |
1_555 |
8 |
2 |
15089 |
61.4 |
-2.7 |
0.882 |
0 |
0 |
0 |
0.024 |
35 |
44 |
|
R |
6 |
2 |
14987 |
◊ |
R |
y-1,x+1,-z |
7_465 |
6 |
2 |
14987 |
60.9 |
0.3 |
0.709 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[NAD]P:401 |
8 |
1 |
832 |
◊ |
Q |
x,y,z |
1_555 |
5 |
3 |
15131 |
52.2 |
-3.2 |
0.213 |
0 |
0 |
0 |
0.061 |
46 |
|
[NAD]O:401 |
8 |
1 |
830 |
◊ |
R |
x,y,z |
1_555 |
5 |
3 |
14987 |
51.4 |
-3.0 |
0.220 |
0 |
0 |
0 |
0.061 |
47 |
|
[NAD]Q:401 |
8 |
1 |
833 |
◊ |
P |
x,y,z |
1_555 |
5 |
3 |
15065 |
51.0 |
-3.1 |
0.217 |
0 |
0 |
0 |
0.061 |
48 |
|
[NAD]R:401 |
7 |
1 |
829 |
◊ |
O |
x,y,z |
1_555 |
5 |
3 |
15089 |
50.4 |
-3.0 |
0.209 |
0 |
0 |
0 |
0.061 |
Average: |
51.2 |
-3.1 |
0.215 |
0 |
0 |
0 |
0.061 |
37 |
49 |
|
Q |
4 |
1 |
15131 |
◊ |
P |
y,x,-z |
7_555 |
6 |
4 |
15065 |
48.7 |
1.3 |
0.887 |
0 |
1 |
0 |
0.000 |
38 |
50 |
|
[PO4]O:408 |
5 |
1 |
187 |
◊ |
Q |
x,y,z |
1_555 |
7 |
3 |
15131 |
43.8 |
-2.3 |
0.805 |
0 |
0 |
0 |
0.022 |
39 |
51 |
|
[PO4]O:408 |
4 |
1 |
187 |
◊ |
R |
x,y,z |
1_555 |
7 |
3 |
14987 |
41.2 |
-2.3 |
0.812 |
0 |
0 |
0 |
0.008 |
40 |
52 |
|
[PO4]O:408 |
5 |
1 |
187 |
f |
P |
x,y,z |
1_555 |
7 |
3 |
15065 |
40.5 |
-2.4 |
0.801 |
0 |
0 |
0 |
0.023 |
41 |
53 |
|
[PO4]O:408 |
5 |
1 |
187 |
◊ |
O |
x,y,z |
1_555 |
7 |
3 |
15089 |
39.8 |
-2.2 |
0.800 |
0 |
0 |
0 |
0.019 |
42 |
54 |
|
O |
4 |
3 |
15089 |
x |
O |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
3 |
3 |
15089 |
31.6 |
1.8 |
0.939 |
0 |
1 |
0 |
0.000 |
43 |
55 |
|
[CL]R:406 |
1 |
1 |
125 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
15131 |
15.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.024 |
56 |
|
[CL]P:405 |
1 |
1 |
125 |
◊ |
O |
x,y,z |
1_555 |
3 |
1 |
15089 |
14.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.024 |
57 |
|
[CL]Q:406 |
1 |
1 |
125 |
◊ |
R |
x,y,z |
1_555 |
3 |
1 |
14987 |
13.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.024 |
58 |
|
[CL]O:406 |
1 |
1 |
125 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
15065 |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
13.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.024 |
44 |
59 |
|
[PO4]R:404 |
3 |
1 |
187 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
15065 |
14.9 |
-0.0 |
0.980 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
R |
2 |
1 |
14987 |
◊ |
P |
x-1,y,z |
1_455 |
1 |
1 |
15065 |
14.9 |
0.7 |
0.895 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
[PO4]Q:404 |
4 |
1 |
187 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
15089 |
13.6 |
0.0 |
0.980 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[PO4]O:404 |
4 |
1 |
188 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
15131 |
13.3 |
0.1 |
0.980 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[PO4]P:404 |
3 |
1 |
190 |
◊ |
R |
x,y,z |
1_555 |
2 |
1 |
14987 |
13.3 |
-0.7 |
0.636 |
0 |
0 |
0 |
0.002 |
49 |
64 |
|
P |
2 |
1 |
15065 |
◊ |
P |
y,x,-z |
7_555 |
2 |
1 |
15065 |
12.7 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[PO4]Q:403 |
3 |
1 |
188 |
◊ |
P |
y-1,x,-z |
7_455 |
2 |
2 |
15065 |
10.6 |
-0.4 |
0.864 |
0 |
0 |
0 |
0.000 |
51 |
66 |
|
[PO4]O:404 |
2 |
1 |
188 |
◊ |
O |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
3 |
3 |
15089 |
8.3 |
-0.3 |
0.841 |
0 |
0 |
0 |
0.000 |
52 |
67 |
|
[G3H]Q:402 |
1 |
1 |
306 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
15065 |
7.0 |
0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
53 |
68 |
|
Q |
2 |
2 |
15131 |
◊ |
P |
x-1,y,z |
1_455 |
2 |
2 |
15065 |
1.2 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|