| ## |
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 |
|
R |
196 |
53 |
14627 |
◊ |
Q |
x,y,z |
1_555 |
197 |
54 |
14840 |
2030.1 |
-29.7 |
0.006 |
31 |
30 |
0 |
0.342 |
2 |
|
P |
197 |
56 |
14552 |
◊ |
O |
x,y,z |
1_555 |
196 |
54 |
14773 |
2006.6 |
-30.5 |
0.005 |
28 |
33 |
0 |
0.342 |
| Average: |
2018.4 |
-30.1 |
0.006 |
30 |
32 |
0 |
0.342 |
| 2 |
3 |
|
Q |
129 |
34 |
14840 |
◊ |
P |
x,y,z |
1_555 |
131 |
36 |
14552 |
1309.4 |
-13.0 |
0.158 |
20 |
4 |
0 |
0.195 |
4 |
|
R |
127 |
36 |
14627 |
◊ |
O |
x,y,z |
1_555 |
129 |
36 |
14773 |
1303.2 |
-14.1 |
0.096 |
19 |
4 |
0 |
0.195 |
| Average: |
1306.3 |
-13.5 |
0.127 |
20 |
4 |
0 |
0.195 |
| 3 |
5 |
|
[NDP]Q:336 |
43 |
1 |
888 |
f |
Q |
x,y,z |
1_555 |
82 |
31 |
14840 |
560.6 |
-5.6 |
0.259 |
7 |
0 |
0 |
0.151 |
6 |
|
[NDP]P:336 |
41 |
1 |
890 |
f |
P |
x,y,z |
1_555 |
81 |
32 |
14552 |
556.9 |
-5.6 |
0.319 |
8 |
0 |
0 |
0.151 |
7 |
|
[NDP]R:336 |
43 |
1 |
892 |
f |
R |
x,y,z |
1_555 |
83 |
31 |
14627 |
556.0 |
-5.4 |
0.279 |
9 |
0 |
0 |
0.151 |
8 |
|
[NDP]O:336 |
41 |
1 |
884 |
f |
O |
x,y,z |
1_555 |
74 |
28 |
14773 |
549.4 |
-4.9 |
0.269 |
7 |
0 |
0 |
0.151 |
| Average: |
555.7 |
-5.4 |
0.282 |
8 |
0 |
0 |
0.151 |
| 4 |
9 |
|
R |
57 |
15 |
14627 |
◊ |
P |
x,y,z |
1_555 |
60 |
16 |
14552 |
499.4 |
0.5 |
0.727 |
4 |
1 |
0 |
0.007 |
10 |
|
Q |
52 |
14 |
14840 |
◊ |
O |
x,y,z |
1_555 |
57 |
14 |
14773 |
480.6 |
0.4 |
0.679 |
3 |
0 |
0 |
0.007 |
| Average: |
490.0 |
0.5 |
0.703 |
4 |
1 |
0 |
0.007 |
| 5 |
11 |
|
P |
54 |
14 |
14552 |
◊ |
R |
x,y,z-1 |
1_554 |
46 |
13 |
14627 |
432.1 |
2.4 |
0.765 |
7 |
4 |
0 |
0.000 |
12 |
|
O |
48 |
12 |
14773 |
◊ |
Q |
x-1,y,z |
1_455 |
52 |
15 |
14840 |
404.3 |
0.5 |
0.678 |
6 |
4 |
0 |
0.000 |
| Average: |
418.2 |
1.5 |
0.722 |
7 |
4 |
0 |
0.000 |
| 6 |
13 |
|
R |
40 |
12 |
14627 |
◊ |
O |
-x,y-1/2,-z+1 |
2_546 |
41 |
14 |
14773 |
314.8 |
-1.7 |
0.467 |
0 |
0 |
0 |
0.000 |
| 7 |
14 |
|
P |
29 |
8 |
14552 |
◊ |
O |
-x,y-1/2,-z+1 |
2_546 |
31 |
13 |
14773 |
259.2 |
1.1 |
0.741 |
3 |
2 |
0 |
0.000 |
| 8 |
15 |
|
R |
24 |
9 |
14627 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
28 |
7 |
14840 |
177.0 |
-0.4 |
0.569 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[SO4]Q:339 |
5 |
1 |
183 |
f |
Q |
x,y,z |
1_555 |
19 |
12 |
14840 |
107.5 |
-15.6 |
0.701 |
5 |
0 |
0 |
0.150 |
| 10 |
17 |
|
[SO4]R:339 |
5 |
1 |
182 |
f |
R |
x,y,z |
1_555 |
19 |
12 |
14627 |
107.4 |
-14.6 |
0.771 |
6 |
0 |
0 |
0.145 |
| 11 |
18 |
|
[SO4]P:339 |
5 |
1 |
182 |
f |
P |
x,y,z |
1_555 |
19 |
11 |
14552 |
106.1 |
-15.2 |
0.737 |
3 |
0 |
0 |
0.139 |
| 12 |
19 |
|
[SO4]O:339 |
5 |
1 |
182 |
f |
O |
x,y,z |
1_555 |
21 |
12 |
14773 |
99.8 |
-14.5 |
0.667 |
3 |
0 |
0 |
0.134 |
| 13 |
20 |
|
[SO4]O:338 |
5 |
1 |
183 |
f |
O |
x,y,z |
1_555 |
13 |
7 |
14773 |
76.1 |
-11.1 |
0.727 |
3 |
0 |
0 |
0.105 |
| 14 |
21 |
|
[SO4]Q:338 |
5 |
1 |
181 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
14840 |
74.7 |
-11.0 |
0.712 |
3 |
0 |
0 |
0.103 |
| 15 |
22 |
|
[SO4]P:338 |
5 |
1 |
181 |
f |
P |
x,y,z |
1_555 |
12 |
6 |
14552 |
71.5 |
-10.8 |
0.789 |
4 |
0 |
0 |
0.105 |
| 16 |
23 |
|
[SO4]R:338 |
5 |
1 |
181 |
f |
R |
x,y,z |
1_555 |
12 |
5 |
14627 |
70.8 |
-10.7 |
0.801 |
5 |
0 |
0 |
0.109 |
| 17 |
24 |
|
[NDP]Q:336 |
7 |
1 |
888 |
◊ |
P |
x,y,z |
1_555 |
7 |
4 |
14552 |
66.2 |
-0.7 |
0.400 |
0 |
0 |
0 |
0.016 |
25 |
|
[NDP]O:336 |
9 |
1 |
884 |
◊ |
R |
x,y,z |
1_555 |
7 |
4 |
14627 |
63.6 |
-0.3 |
0.513 |
1 |
0 |
0 |
0.016 |
26 |
|
[NDP]P:336 |
9 |
1 |
890 |
◊ |
Q |
x,y,z |
1_555 |
7 |
4 |
14840 |
56.9 |
-0.3 |
0.525 |
2 |
0 |
0 |
0.016 |
27 |
|
[NDP]R:336 |
8 |
1 |
892 |
◊ |
O |
x,y,z |
1_555 |
7 |
4 |
14773 |
55.4 |
-0.2 |
0.516 |
2 |
0 |
0 |
0.016 |
| Average: |
60.5 |
-0.4 |
0.488 |
1 |
0 |
0 |
0.016 |
| 18 |
28 |
|
[NDP]O:336 |
13 |
1 |
884 |
f |
[SO4]O:338 |
x,y,z |
1_555 |
4 |
1 |
183 |
55.5 |
-8.2 |
0.613 |
0 |
0 |
0 |
0.069 |
| 19 |
29 |
|
[NDP]Q:336 |
12 |
1 |
888 |
f |
[SO4]Q:338 |
x,y,z |
1_555 |
5 |
1 |
181 |
52.3 |
-7.7 |
0.619 |
0 |
0 |
0 |
0.065 |
| 20 |
30 |
|
[NDP]P:336 |
11 |
1 |
890 |
f |
[SO4]P:338 |
x,y,z |
1_555 |
4 |
1 |
181 |
51.0 |
-7.8 |
0.626 |
0 |
0 |
0 |
0.066 |
| 21 |
31 |
|
[NDP]R:336 |
8 |
1 |
892 |
f |
[SO4]R:338 |
x,y,z |
1_555 |
4 |
1 |
181 |
46.3 |
-7.2 |
0.572 |
0 |
0 |
0 |
0.061 |
| 22 |
32 |
|
[SO4]R:339 |
1 |
1 |
182 |
f |
[SO4]R:338 |
x,y,z |
1_555 |
2 |
1 |
181 |
8.3 |
-2.0 |
0.876 |
0 |
0 |
0 |
0.017 |
| 23 |
33 |
|
[SO4]Q:339 |
1 |
1 |
183 |
f |
[SO4]Q:338 |
x,y,z |
1_555 |
2 |
1 |
181 |
4.4 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.008 |
| 24 |
34 |
|
[SO4]P:339 |
1 |
1 |
182 |
f |
[SO4]P:338 |
x,y,z |
1_555 |
1 |
1 |
181 |
4.0 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.008 |
| 25 |
35 |
|
[SO4]O:339 |
1 |
1 |
182 |
f |
[SO4]O:338 |
x,y,z |
1_555 |
1 |
1 |
183 |
2.3 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.005 |
|