| ## |
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 |
|
C |
85 |
20 |
17646 |
◊ |
A |
x,y,z |
1_555 |
85 |
23 |
17768 |
708.4 |
-6.2 |
0.373 |
6 |
8 |
0 |
0.196 |
2 |
|
F |
86 |
22 |
17650 |
◊ |
B |
x,y,z |
1_555 |
85 |
23 |
17559 |
701.2 |
-5.9 |
0.385 |
6 |
8 |
0 |
0.196 |
3 |
|
E |
86 |
23 |
17526 |
◊ |
D |
x,y,z |
1_555 |
88 |
23 |
17696 |
699.9 |
-6.2 |
0.366 |
7 |
7 |
0 |
0.196 |
| Average: |
703.2 |
-6.1 |
0.375 |
6 |
8 |
0 |
0.196 |
| 2 |
4 |
|
E |
38 |
9 |
17526 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
17768 |
482.4 |
-6.5 |
0.069 |
8 |
0 |
0 |
0.250 |
5 |
|
E |
47 |
16 |
17526 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
38 |
10 |
17559 |
451.8 |
-6.4 |
0.072 |
6 |
0 |
0 |
0.250 |
6 |
|
D |
48 |
15 |
17696 |
◊ |
C |
x,y,z |
1_555 |
36 |
9 |
17646 |
437.9 |
-7.4 |
0.040 |
7 |
0 |
0 |
0.250 |
7 |
|
A |
35 |
9 |
17768 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
47 |
15 |
17559 |
422.8 |
-5.9 |
0.106 |
7 |
0 |
0 |
0.250 |
| Average: |
448.7 |
-6.5 |
0.072 |
7 |
0 |
0 |
0.250 |
| 3 |
8 |
|
B |
52 |
13 |
17559 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
17768 |
440.1 |
-1.8 |
0.608 |
5 |
2 |
0 |
0.000 |
| 4 |
9 |
|
D |
35 |
9 |
17696 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
50 |
16 |
17650 |
426.4 |
-5.7 |
0.086 |
6 |
0 |
0 |
0.100 |
10 |
|
C |
46 |
15 |
17646 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
33 |
9 |
17650 |
414.0 |
-4.9 |
0.104 |
5 |
0 |
0 |
0.100 |
| Average: |
420.2 |
-5.3 |
0.095 |
6 |
0 |
0 |
0.100 |
| 5 |
11 |
|
C |
47 |
16 |
17646 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
54 |
19 |
17559 |
401.2 |
-2.5 |
0.492 |
3 |
0 |
0 |
0.000 |
| 6 |
12 |
|
E |
38 |
11 |
17526 |
◊ |
C |
x,y-1,z |
1_545 |
42 |
11 |
17646 |
393.5 |
-0.6 |
0.420 |
3 |
4 |
0 |
0.000 |
| 7 |
13 |
|
E |
34 |
12 |
17526 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
34 |
13 |
17768 |
306.0 |
-2.4 |
0.439 |
1 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[JAZ]F:1464 |
16 |
1 |
364 |
cf |
F |
x,y,z |
1_555 |
44 |
16 |
17650 |
247.5 |
-2.3 |
0.459 |
8 |
0 |
0 |
0.198 |
15 |
|
[JAZ]C:1464 |
16 |
1 |
366 |
cf |
C |
x,y,z |
1_555 |
45 |
15 |
17646 |
245.0 |
-2.4 |
0.496 |
7 |
0 |
0 |
0.198 |
16 |
|
[JAZ]D:1464 |
16 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
44 |
16 |
17696 |
244.9 |
-0.7 |
0.609 |
9 |
0 |
0 |
0.198 |
17 |
|
[JAZ]E:1464 |
16 |
1 |
363 |
cf |
E |
x,y,z |
1_555 |
45 |
15 |
17526 |
244.5 |
-2.4 |
0.467 |
8 |
0 |
0 |
0.198 |
18 |
|
[JAZ]A:1464 |
16 |
1 |
372 |
cf |
A |
x,y,z |
1_555 |
37 |
16 |
17768 |
242.7 |
-0.1 |
0.633 |
6 |
0 |
0 |
0.198 |
19 |
|
[JAZ]B:1464 |
16 |
1 |
366 |
cf |
B |
x,y,z |
1_555 |
41 |
15 |
17559 |
237.1 |
-2.3 |
0.489 |
8 |
0 |
0 |
0.198 |
| Average: |
243.6 |
-1.7 |
0.525 |
8 |
0 |
0 |
0.198 |
| 9 |
20 |
|
D |
19 |
6 |
17696 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
7 |
17559 |
163.6 |
0.6 |
0.732 |
2 |
3 |
0 |
0.000 |
| 10 |
21 |
|
D |
25 |
7 |
17696 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
17646 |
148.8 |
-0.4 |
0.525 |
1 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[EDO]D:1468 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
17696 |
114.2 |
4.3 |
0.552 |
6 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[EDO]F:1466 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
23 |
11 |
17650 |
113.0 |
3.6 |
0.530 |
3 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[EDO]F:1465 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
17650 |
111.1 |
4.1 |
0.546 |
5 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[TRS]C:1465 |
6 |
1 |
253 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
17646 |
110.2 |
2.8 |
0.201 |
2 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[EDO]D:1465 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
17696 |
108.7 |
4.1 |
0.543 |
3 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[EDO]A:1466 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
17768 |
107.9 |
3.7 |
0.522 |
2 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[EDO]A:1468 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
17768 |
106.8 |
3.1 |
0.473 |
1 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[PO4]A:1470 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
17768 |
105.9 |
-5.9 |
0.789 |
4 |
0 |
0 |
0.062 |
| 19 |
30 |
|
[PO4]F:1467 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
17650 |
105.8 |
-6.1 |
0.798 |
4 |
0 |
0 |
0.091 |
| 20 |
31 |
|
[EDO]B:1465 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
17559 |
104.9 |
3.5 |
0.533 |
3 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[PO4]C:1468 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
17646 |
104.7 |
-5.8 |
0.797 |
4 |
0 |
0 |
0.084 |
| 22 |
33 |
|
[PO4]D:1469 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
17696 |
104.6 |
-5.8 |
0.795 |
4 |
0 |
0 |
0.050 |
| 23 |
34 |
|
[PO4]E:1466 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
17526 |
104.2 |
-5.8 |
0.797 |
4 |
0 |
0 |
0.068 |
| 24 |
35 |
|
[PO4]B:1470 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
17559 |
103.6 |
-5.5 |
0.901 |
4 |
0 |
0 |
0.047 |
| 25 |
36 |
|
[EDO]B:1468 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
17559 |
103.4 |
1.4 |
0.255 |
1 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[EDO]B:1467 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
17559 |
102.0 |
3.8 |
0.572 |
3 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[EDO]A:1465 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
17768 |
100.5 |
3.4 |
0.535 |
4 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[EDO]D:1466 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
17696 |
99.9 |
3.2 |
0.505 |
4 |
0 |
0 |
0.000 |
| 29 |
40 |
|
[EDO]B:1466 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
17559 |
94.1 |
3.0 |
0.497 |
1 |
0 |
0 |
0.000 |
| 30 |
41 |
|
[EDO]D:1467 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
17696 |
92.3 |
2.7 |
0.491 |
2 |
0 |
0 |
0.000 |
| 31 |
42 |
|
[EDO]C:1467 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
17646 |
90.4 |
2.6 |
0.285 |
2 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[EDO]E:1465 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
17526 |
87.1 |
2.5 |
0.284 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[EDO]A:1469 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17768 |
85.9 |
3.0 |
0.511 |
3 |
0 |
0 |
0.000 |
| 34 |
45 |
|
[EDO]C:1466 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
17646 |
85.6 |
2.7 |
0.309 |
3 |
0 |
0 |
0.000 |
| 35 |
46 |
|
[EDO]B:1469 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
17559 |
82.9 |
1.9 |
0.250 |
2 |
0 |
0 |
0.000 |
| 36 |
47 |
|
[CL]A:1471 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17768 |
77.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| 37 |
48 |
|
F |
9 |
2 |
17650 |
◊ |
D |
x-1,y+1,z-1 |
1_464 |
10 |
2 |
17696 |
77.5 |
-1.6 |
0.248 |
0 |
0 |
0 |
0.000 |
| 38 |
49 |
|
[EDO]A:1467 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
17768 |
73.0 |
2.5 |
0.296 |
0 |
0 |
0 |
0.000 |
| 39 |
50 |
|
[CL]D:1470 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17696 |
71.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.146 |
51 |
|
[CL]B:1471 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
17559 |
70.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.146 |
| Average: |
71.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.146 |
| 40 |
52 |
|
B |
5 |
2 |
17559 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
7 |
2 |
17650 |
57.3 |
0.2 |
0.681 |
0 |
0 |
0 |
0.000 |
| 41 |
53 |
|
[EDO]A:1467 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
17646 |
56.9 |
1.3 |
0.779 |
1 |
0 |
0 |
0.000 |
| 42 |
54 |
|
[EDO]B:1468 |
2 |
1 |
188 |
f |
[JAZ]B:1464 |
x,y,z |
1_555 |
8 |
1 |
366 |
49.2 |
1.9 |
0.560 |
2 |
0 |
0 |
0.000 |
| 43 |
55 |
|
[EDO]A:1469 |
2 |
1 |
187 |
f |
[EDO]A:1468 |
x,y,z |
1_555 |
3 |
1 |
186 |
37.7 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 44 |
56 |
|
[EDO]B:1469 |
3 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
17650 |
33.5 |
0.6 |
0.432 |
0 |
0 |
0 |
0.000 |
| 45 |
57 |
|
D |
3 |
1 |
17696 |
f |
[EDO]B:1465 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
181 |
27.1 |
0.9 |
0.933 |
1 |
0 |
0 |
0.000 |
| 46 |
58 |
|
D |
6 |
4 |
17696 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
17696 |
15.8 |
-0.4 |
0.476 |
0 |
0 |
0 |
0.000 |
| 47 |
59 |
|
E |
2 |
1 |
17526 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
17646 |
15.3 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
| 48 |
60 |
|
[EDO]F:1466 |
2 |
1 |
183 |
f |
[EDO]F:1465 |
x,y,z |
1_555 |
1 |
1 |
182 |
13.4 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 49 |
61 |
|
D |
4 |
2 |
17696 |
f |
[TRS]C:1465 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
253 |
7.4 |
0.1 |
0.804 |
0 |
0 |
0 |
0.000 |
| 50 |
62 |
|
D |
1 |
1 |
17696 |
◊ |
F |
x,y-1,z+1 |
1_546 |
1 |
1 |
17650 |
1.9 |
-0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
|