| ## |
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 |
|
L |
204 |
57 |
11313 |
◊ |
H |
x,y,z |
1_555 |
187 |
54 |
11855 |
1815.4 |
-23.3 |
0.110 |
14 |
5 |
0 |
0.772 |
2 |
|
D |
193 |
55 |
11163 |
◊ |
C |
x,y,z |
1_555 |
179 |
50 |
11541 |
1763.6 |
-22.8 |
0.094 |
13 |
2 |
0 |
0.772 |
3 |
|
F |
193 |
56 |
11278 |
◊ |
E |
x,y,z |
1_555 |
181 |
52 |
11713 |
1722.0 |
-26.6 |
0.045 |
12 |
1 |
0 |
0.772 |
4 |
|
P |
183 |
52 |
11107 |
◊ |
O |
x,y,z |
1_555 |
179 |
51 |
11563 |
1683.9 |
-25.5 |
0.055 |
12 |
0 |
0 |
0.772 |
| Average: |
1746.2 |
-24.6 |
0.076 |
13 |
2 |
0 |
0.772 |
| 2 |
5 |
|
D |
58 |
16 |
11163 |
◊ |
P |
x,y,z-1 |
1_554 |
57 |
19 |
11107 |
454.4 |
0.7 |
0.781 |
4 |
1 |
0 |
0.000 |
| 3 |
6 |
|
D |
44 |
17 |
11163 |
◊ |
H |
x-1,y,z-1 |
1_454 |
43 |
13 |
11855 |
404.3 |
-1.0 |
0.686 |
5 |
0 |
0 |
0.000 |
| 4 |
7 |
|
H |
38 |
15 |
11855 |
◊ |
P |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
12 |
11107 |
397.8 |
-2.0 |
0.591 |
5 |
0 |
0 |
0.000 |
| 5 |
8 |
|
E |
40 |
10 |
11713 |
◊ |
L |
x-1,y,z-1 |
1_454 |
41 |
12 |
11313 |
388.6 |
1.5 |
0.859 |
6 |
3 |
0 |
0.000 |
| 6 |
9 |
|
F |
43 |
11 |
11278 |
◊ |
O |
x,y,z |
1_555 |
36 |
14 |
11563 |
359.2 |
-3.4 |
0.423 |
4 |
0 |
0 |
0.000 |
| 7 |
10 |
|
L |
40 |
15 |
11313 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
11 |
11563 |
346.6 |
-2.5 |
0.504 |
4 |
1 |
0 |
0.000 |
| 8 |
11 |
|
L |
42 |
11 |
11313 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
13 |
11541 |
344.3 |
-0.5 |
0.679 |
4 |
3 |
0 |
0.000 |
| 9 |
12 |
|
E |
37 |
11 |
11713 |
◊ |
H |
x-1,y,z |
1_455 |
37 |
11 |
11855 |
331.0 |
-4.4 |
0.402 |
4 |
0 |
0 |
0.000 |
13 |
|
O |
32 |
9 |
11563 |
◊ |
C |
x,y,z |
1_555 |
36 |
10 |
11541 |
325.8 |
-4.2 |
0.379 |
4 |
0 |
0 |
0.000 |
| Average: |
328.4 |
-4.3 |
0.391 |
4 |
0 |
0 |
0.000 |
| 10 |
14 |
|
F |
37 |
11 |
11278 |
◊ |
L |
x-1,y,z-1 |
1_454 |
46 |
14 |
11313 |
319.8 |
1.3 |
0.791 |
6 |
0 |
0 |
0.000 |
| 11 |
15 |
|
P |
34 |
13 |
11107 |
◊ |
E |
x,y,z |
1_555 |
33 |
13 |
11713 |
306.3 |
-2.3 |
0.534 |
3 |
2 |
0 |
0.000 |
| 12 |
16 |
|
O |
36 |
13 |
11563 |
◊ |
H |
x,y,z |
1_555 |
32 |
10 |
11855 |
285.0 |
-1.1 |
0.700 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[41M]D:301 |
23 |
1 |
621 |
◊ |
C |
x,y,z |
1_555 |
42 |
8 |
11541 |
269.9 |
-3.4 |
0.600 |
3 |
0 |
0 |
0.127 |
18 |
|
[41M]P:301 |
23 |
1 |
622 |
◊ |
O |
x,y,z |
1_555 |
43 |
8 |
11563 |
266.0 |
-2.8 |
0.608 |
3 |
0 |
0 |
0.127 |
19 |
|
[41M]H:301 |
23 |
1 |
628 |
◊ |
H |
x,y,z |
1_555 |
43 |
8 |
11855 |
265.2 |
-3.1 |
0.593 |
4 |
0 |
0 |
0.127 |
20 |
|
[41M]E:301 |
23 |
1 |
606 |
◊ |
E |
x,y,z |
1_555 |
41 |
8 |
11713 |
265.0 |
-4.0 |
0.515 |
3 |
0 |
0 |
0.127 |
| Average: |
266.5 |
-3.3 |
0.579 |
3 |
0 |
0 |
0.127 |
| 14 |
21 |
|
F |
26 |
11 |
11278 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
28 |
12 |
11541 |
258.1 |
0.6 |
0.736 |
5 |
0 |
0 |
0.000 |
| 15 |
22 |
|
E |
23 |
9 |
11713 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
27 |
11 |
11107 |
226.1 |
-1.0 |
0.630 |
5 |
0 |
0 |
0.000 |
| 16 |
23 |
|
E |
25 |
10 |
11713 |
◊ |
H |
x-1,y,z-1 |
1_454 |
21 |
7 |
11855 |
187.8 |
-0.8 |
0.669 |
2 |
0 |
0 |
0.000 |
| 17 |
24 |
|
P |
24 |
12 |
11107 |
◊ |
H |
x-1,y,z |
1_455 |
23 |
12 |
11855 |
178.7 |
-2.4 |
0.421 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
C |
18 |
6 |
11541 |
◊ |
P |
x,y,z-1 |
1_554 |
18 |
7 |
11107 |
172.4 |
1.1 |
0.831 |
3 |
2 |
0 |
0.000 |
| 19 |
26 |
|
[41M]D:301 |
11 |
1 |
621 |
f |
D |
x,y,z |
1_555 |
25 |
7 |
11163 |
171.0 |
-3.1 |
0.418 |
5 |
0 |
0 |
0.137 |
| 20 |
27 |
|
[41M]H:301 |
13 |
1 |
628 |
f |
L |
x,y,z |
1_555 |
23 |
7 |
11313 |
168.1 |
-2.0 |
0.445 |
5 |
0 |
0 |
0.108 |
28 |
|
[41M]P:301 |
13 |
1 |
622 |
f |
P |
x,y,z |
1_555 |
23 |
7 |
11107 |
167.6 |
-3.0 |
0.415 |
5 |
0 |
0 |
0.108 |
29 |
|
[41M]E:301 |
14 |
1 |
606 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
11278 |
166.0 |
-2.0 |
0.442 |
5 |
0 |
0 |
0.108 |
| Average: |
167.2 |
-2.3 |
0.434 |
5 |
0 |
0 |
0.108 |
| 21 |
30 |
|
C |
19 |
9 |
11541 |
◊ |
O |
x,y,z-1 |
1_554 |
26 |
9 |
11563 |
153.2 |
-1.1 |
0.642 |
2 |
0 |
0 |
0.000 |
| 22 |
31 |
|
O |
12 |
4 |
11563 |
◊ |
P |
-x,y-1/2,-z+1 |
2_546 |
16 |
7 |
11107 |
132.2 |
0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
D |
17 |
6 |
11163 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
14 |
4 |
11541 |
129.0 |
0.3 |
0.711 |
2 |
1 |
0 |
0.000 |
| 24 |
33 |
|
H |
13 |
3 |
11855 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
11563 |
112.4 |
-1.9 |
0.345 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
F |
15 |
8 |
11278 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
13 |
3 |
11163 |
112.4 |
-1.3 |
0.385 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
D |
15 |
6 |
11163 |
◊ |
L |
x-1,y,z-1 |
1_454 |
13 |
4 |
11313 |
103.1 |
-1.3 |
0.392 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
F |
12 |
6 |
11278 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
9 |
4 |
11713 |
93.1 |
-1.1 |
0.416 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
F |
14 |
6 |
11278 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
6 |
11163 |
88.5 |
0.4 |
0.578 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[SO4]O:301 |
4 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
12 |
6 |
11563 |
86.0 |
-11.1 |
0.841 |
5 |
0 |
0 |
0.249 |
| 30 |
39 |
|
O |
6 |
2 |
11563 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
11713 |
75.8 |
-0.8 |
0.423 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
E |
7 |
2 |
11713 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
5 |
11541 |
65.6 |
0.9 |
0.833 |
2 |
0 |
0 |
0.000 |
| 32 |
41 |
|
F |
8 |
3 |
11278 |
◊ |
O |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
11563 |
60.0 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
H |
3 |
1 |
11855 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
11541 |
45.7 |
1.0 |
0.805 |
2 |
0 |
0 |
0.000 |
| 34 |
43 |
|
H |
5 |
2 |
11855 |
◊ |
[41M]P:301 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
622 |
38.1 |
-0.3 |
0.306 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[SO4]O:301 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
11855 |
35.6 |
-3.0 |
0.983 |
2 |
0 |
0 |
0.000 |
| 36 |
45 |
|
F |
3 |
1 |
11278 |
◊ |
P |
-x-1,y-1/2,-z |
2_445 |
6 |
4 |
11107 |
28.6 |
0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
| 37 |
46 |
|
[41M]E:301 |
2 |
1 |
606 |
◊ |
O |
x,y,z |
1_555 |
4 |
2 |
11563 |
23.2 |
0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
| 38 |
47 |
|
L |
1 |
1 |
11313 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11541 |
13.9 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
| 39 |
48 |
|
P |
2 |
2 |
11107 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
11163 |
12.9 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
L |
2 |
1 |
11313 |
◊ |
P |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11107 |
12.7 |
0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| 41 |
50 |
|
P |
2 |
1 |
11107 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11278 |
7.8 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
L |
3 |
1 |
11313 |
◊ |
[41M]P:301 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
622 |
7.7 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
| 43 |
52 |
|
[41M]H:301 |
1 |
1 |
628 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11541 |
4.2 |
0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[SO4]O:301 |
1 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11313 |
2.3 |
-0.3 |
0.841 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[41M]E:301 |
1 |
1 |
606 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
11107 |
1.0 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 46 |
55 |
|
O |
1 |
1 |
11563 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
11855 |
0.3 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
|