| ## |
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 |
186 |
55 |
17537 |
◊ |
D |
x,y,z |
1_555 |
197 |
64 |
11324 |
1796.4 |
-22.5 |
0.089 |
19 |
10 |
0 |
0.378 |
2 |
|
B |
181 |
54 |
17715 |
◊ |
A |
x,y,z |
1_555 |
199 |
65 |
11298 |
1793.3 |
-23.6 |
0.064 |
19 |
9 |
0 |
0.378 |
| Average: |
1794.8 |
-23.0 |
0.076 |
19 |
10 |
0 |
0.378 |
| 2 |
3 |
|
E |
86 |
25 |
17537 |
◊ |
B |
x,y,z |
1_555 |
91 |
29 |
17715 |
814.1 |
3.4 |
0.892 |
13 |
10 |
0 |
0.019 |
| 3 |
4 |
|
[COA]D:1301 |
43 |
1 |
999 |
f |
D |
x,y,z |
1_555 |
80 |
30 |
11324 |
582.2 |
1.7 |
0.542 |
9 |
0 |
0 |
0.028 |
5 |
|
[COA]A:1300 |
44 |
1 |
1001 |
f |
A |
x,y,z |
1_555 |
80 |
30 |
11298 |
579.9 |
1.6 |
0.521 |
9 |
0 |
0 |
0.028 |
| Average: |
581.0 |
1.6 |
0.531 |
9 |
0 |
0 |
0.028 |
| 4 |
6 |
|
E |
53 |
11 |
17537 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
63 |
16 |
11324 |
526.6 |
-7.3 |
0.180 |
4 |
4 |
0 |
0.103 |
7 |
|
B |
52 |
11 |
17715 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
62 |
16 |
11298 |
526.3 |
-7.3 |
0.168 |
5 |
4 |
0 |
0.103 |
| Average: |
526.5 |
-7.3 |
0.174 |
5 |
4 |
0 |
0.103 |
| 5 |
8 |
|
E |
37 |
12 |
17537 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
47 |
15 |
17715 |
366.8 |
-1.6 |
0.550 |
4 |
1 |
0 |
0.000 |
| 6 |
9 |
|
E |
29 |
9 |
17537 |
◊ |
A |
y-1,x,-z+1/4 |
7_455 |
41 |
16 |
11298 |
290.7 |
-3.7 |
0.301 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
B |
33 |
12 |
17715 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
33 |
12 |
17715 |
273.5 |
-1.8 |
0.494 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
D |
28 |
11 |
11324 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
5 |
17715 |
234.8 |
-1.5 |
0.503 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[COA]B:1325 |
12 |
1 |
526 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
17715 |
196.7 |
1.0 |
0.369 |
4 |
0 |
0 |
0.008 |
| 10 |
13 |
|
E |
21 |
6 |
17537 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
11298 |
193.6 |
0.1 |
0.604 |
2 |
2 |
0 |
0.010 |
14 |
|
B |
22 |
7 |
17715 |
◊ |
D |
x,y,z |
1_555 |
23 |
10 |
11324 |
190.5 |
0.2 |
0.621 |
2 |
2 |
0 |
0.010 |
| Average: |
192.1 |
0.2 |
0.613 |
2 |
2 |
0 |
0.010 |
| 11 |
15 |
|
[COA]A:1300 |
21 |
1 |
1001 |
◊ |
E |
x,y,z |
1_555 |
22 |
5 |
17537 |
192.7 |
-0.6 |
0.452 |
5 |
0 |
0 |
0.027 |
16 |
|
[COA]D:1301 |
22 |
1 |
999 |
◊ |
B |
x,y,z |
1_555 |
24 |
5 |
17715 |
191.6 |
-1.0 |
0.446 |
4 |
0 |
0 |
0.027 |
| Average: |
192.1 |
-0.8 |
0.449 |
5 |
0 |
0 |
0.027 |
| 12 |
17 |
|
[COA]E:1325 |
9 |
1 |
335 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
17537 |
188.2 |
0.7 |
0.483 |
4 |
0 |
0 |
0.012 |
| 13 |
18 |
|
[COA]E:1025 |
13 |
1 |
514 |
f |
E |
x,y,z |
1_555 |
18 |
5 |
17537 |
149.5 |
-0.5 |
0.259 |
2 |
0 |
0 |
0.016 |
19 |
|
[COA]B:1025 |
13 |
1 |
514 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
17715 |
149.5 |
-0.5 |
0.244 |
2 |
0 |
0 |
0.016 |
| Average: |
149.5 |
-0.5 |
0.251 |
2 |
0 |
0 |
0.016 |
| 14 |
20 |
|
[SO4]E:1401 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
15 |
9 |
17537 |
105.1 |
-15.8 |
0.840 |
6 |
0 |
0 |
0.209 |
21 |
|
[SO4]B:1400 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
17715 |
98.8 |
-15.2 |
0.816 |
6 |
0 |
0 |
0.209 |
| Average: |
102.0 |
-15.5 |
0.828 |
6 |
0 |
0 |
0.209 |
| 15 |
22 |
|
E |
10 |
2 |
17537 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
10 |
2 |
17537 |
92.8 |
-1.9 |
0.238 |
0 |
0 |
0 |
0.009 |
23 |
|
B |
9 |
2 |
17715 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
9 |
2 |
17715 |
89.4 |
-1.8 |
0.221 |
0 |
0 |
0 |
0.009 |
| Average: |
91.1 |
-1.8 |
0.230 |
0 |
0 |
0 |
0.009 |
| 16 |
24 |
|
[PO4]D:1601 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
11324 |
78.0 |
-4.9 |
0.819 |
6 |
0 |
0 |
0.085 |
25 |
|
[PO4]A:1600 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11298 |
76.8 |
-4.7 |
0.812 |
6 |
0 |
0 |
0.085 |
| Average: |
77.4 |
-4.8 |
0.815 |
6 |
0 |
0 |
0.085 |
| 17 |
26 |
|
[SO4]E:1501 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
17537 |
75.1 |
-10.5 |
0.776 |
3 |
0 |
0 |
0.134 |
27 |
|
[SO4]B:1500 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17715 |
73.9 |
-10.3 |
0.786 |
3 |
0 |
0 |
0.134 |
| Average: |
74.5 |
-10.4 |
0.781 |
3 |
0 |
0 |
0.134 |
| 18 |
28 |
|
[COA]E:1025 |
10 |
1 |
514 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
17715 |
70.3 |
0.7 |
0.278 |
0 |
0 |
0 |
0.000 |
29 |
|
[COA]B:1025 |
10 |
1 |
514 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
17537 |
66.1 |
0.7 |
0.287 |
0 |
0 |
0 |
0.000 |
| Average: |
68.2 |
0.7 |
0.282 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[COA]B:1025 |
5 |
1 |
514 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11324 |
56.7 |
0.3 |
0.194 |
0 |
0 |
0 |
0.000 |
31 |
|
[COA]E:1025 |
5 |
1 |
514 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
11298 |
56.2 |
0.3 |
0.240 |
0 |
0 |
0 |
0.000 |
| Average: |
56.5 |
0.3 |
0.217 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[COA]B:1325 |
8 |
1 |
526 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11298 |
51.6 |
0.5 |
0.369 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[PO4]A:1600 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
17715 |
50.3 |
-3.2 |
0.658 |
3 |
0 |
0 |
0.052 |
34 |
|
[PO4]D:1601 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
17537 |
49.6 |
-3.2 |
0.651 |
3 |
0 |
0 |
0.052 |
| Average: |
50.0 |
-3.2 |
0.655 |
3 |
0 |
0 |
0.052 |
| 22 |
35 |
|
A |
5 |
1 |
11298 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
5 |
1 |
11298 |
47.7 |
-0.3 |
0.545 |
0 |
0 |
0 |
0.002 |
36 |
|
D |
5 |
1 |
11324 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
5 |
1 |
11324 |
47.6 |
-0.3 |
0.553 |
0 |
0 |
0 |
0.002 |
| Average: |
47.6 |
-0.3 |
0.549 |
0 |
0 |
0 |
0.002 |
| 23 |
37 |
|
[SO4]E:1501 |
3 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11324 |
43.1 |
-4.2 |
0.971 |
3 |
0 |
0 |
0.062 |
| 24 |
38 |
|
[SO4]B:1500 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11298 |
40.9 |
-4.1 |
0.968 |
3 |
0 |
0 |
0.062 |
| 25 |
39 |
|
[COA]A:1300 |
3 |
1 |
1001 |
f |
[PO4]A:1600 |
x,y,z |
1_555 |
4 |
1 |
187 |
33.1 |
-2.7 |
0.373 |
2 |
0 |
0 |
0.041 |
40 |
|
[COA]D:1301 |
3 |
1 |
999 |
f |
[PO4]D:1601 |
x,y,z |
1_555 |
4 |
1 |
187 |
31.2 |
-2.6 |
0.393 |
1 |
0 |
0 |
0.041 |
| Average: |
32.1 |
-2.7 |
0.383 |
2 |
0 |
0 |
0.041 |
| 26 |
41 |
|
[COA]D:1301 |
3 |
1 |
999 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17537 |
28.7 |
1.3 |
0.733 |
0 |
0 |
0 |
0.000 |
42 |
|
[COA]A:1300 |
3 |
1 |
1001 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17715 |
28.2 |
1.2 |
0.728 |
0 |
0 |
0 |
0.000 |
| Average: |
28.4 |
1.3 |
0.731 |
0 |
0 |
0 |
0.000 |
| 27 |
43 |
|
D |
5 |
2 |
11324 |
◊ |
[COA]B:1325 |
x,y-1,z |
1_545 |
2 |
1 |
526 |
27.7 |
1.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| 28 |
44 |
|
E |
4 |
2 |
17537 |
◊ |
D |
x,-y,-z+1/2 |
6_555 |
4 |
3 |
11324 |
27.2 |
-0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
[COA]E:1325 |
2 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
11324 |
12.5 |
-0.3 |
0.277 |
0 |
0 |
0 |
0.003 |
| 30 |
46 |
|
[COA]A:1300 |
1 |
1 |
1001 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17715 |
3.8 |
-0.2 |
0.281 |
0 |
0 |
0 |
0.003 |
47 |
|
[COA]D:1301 |
1 |
1 |
999 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17537 |
1.3 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.003 |
| Average: |
2.5 |
-0.2 |
0.333 |
0 |
0 |
0 |
0.003 |
| 31 |
48 |
|
[COA]B:1025 |
2 |
1 |
514 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
1 |
1 |
17537 |
3.7 |
0.1 |
0.295 |
0 |
0 |
0 |
0.000 |
49 |
|
[COA]E:1025 |
2 |
1 |
514 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
1 |
1 |
17715 |
3.4 |
0.1 |
0.315 |
0 |
0 |
0 |
0.000 |
| Average: |
3.6 |
0.1 |
0.305 |
0 |
0 |
0 |
0.000 |
|