| ## |
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 |
203 |
52 |
11466 |
◊ |
H |
x,y,z |
1_555 |
187 |
50 |
11854 |
1786.4 |
-28.7 |
0.016 |
14 |
1 |
0 |
0.000 |
2 |
|
B |
201 |
52 |
11372 |
◊ |
A |
x,y,z |
1_555 |
186 |
50 |
12095 |
1776.1 |
-26.9 |
0.025 |
16 |
1 |
0 |
0.000 |
| Average: |
1781.2 |
-27.8 |
0.021 |
15 |
1 |
0 |
0.000 |
| 2 |
3 |
|
A |
92 |
20 |
12095 |
◊ |
X |
x,y,z |
1_555 |
100 |
33 |
10629 |
912.9 |
2.5 |
0.863 |
19 |
9 |
0 |
0.000 |
4 |
|
H |
90 |
20 |
11854 |
◊ |
C |
x,y,z |
1_555 |
91 |
27 |
10857 |
903.1 |
2.6 |
0.860 |
16 |
9 |
0 |
0.000 |
| Average: |
908.0 |
2.5 |
0.862 |
18 |
9 |
0 |
0.000 |
| 3 |
5 |
|
B |
50 |
16 |
11372 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
47 |
17 |
12095 |
438.4 |
-2.3 |
0.521 |
6 |
0 |
0 |
0.000 |
6 |
|
L |
51 |
17 |
11466 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
47 |
17 |
11854 |
437.9 |
-2.2 |
0.532 |
7 |
0 |
0 |
0.000 |
| Average: |
438.1 |
-2.3 |
0.527 |
7 |
0 |
0 |
0.000 |
| 4 |
7 |
|
L |
32 |
7 |
11466 |
◊ |
C |
x,y,z |
1_555 |
34 |
9 |
10857 |
279.3 |
-2.4 |
0.426 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
27 |
7 |
11372 |
◊ |
X |
x,y,z |
1_555 |
22 |
9 |
10629 |
199.1 |
-1.4 |
0.467 |
1 |
0 |
0 |
0.000 |
| Average: |
239.2 |
-1.9 |
0.447 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
L |
25 |
12 |
11466 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
7 |
12095 |
247.5 |
-1.2 |
0.523 |
5 |
0 |
0 |
0.000 |
| 6 |
10 |
|
C |
27 |
9 |
10857 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
11 |
11372 |
234.2 |
-0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
H |
23 |
9 |
11854 |
◊ |
B |
x-1,y,z-1 |
1_454 |
27 |
12 |
11372 |
223.4 |
0.4 |
0.669 |
4 |
0 |
0 |
0.000 |
| 8 |
12 |
|
L |
25 |
8 |
11466 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
13 |
10857 |
218.4 |
2.2 |
0.839 |
2 |
1 |
0 |
0.000 |
| 9 |
13 |
|
A |
23 |
6 |
12095 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
10857 |
204.2 |
1.3 |
0.786 |
2 |
1 |
0 |
0.000 |
| 10 |
14 |
|
B |
23 |
8 |
11372 |
◊ |
C |
x,y,z |
1_555 |
20 |
5 |
10857 |
200.9 |
-0.8 |
0.548 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
B |
20 |
5 |
11372 |
◊ |
X |
x,y,z-1 |
1_554 |
27 |
8 |
10629 |
191.3 |
-1.1 |
0.483 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
H |
19 |
6 |
11854 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
12095 |
182.7 |
1.4 |
0.806 |
2 |
0 |
0 |
0.000 |
| 13 |
17 |
|
L |
25 |
11 |
11466 |
◊ |
X |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
9 |
10629 |
181.9 |
2.2 |
0.804 |
3 |
0 |
0 |
0.000 |
| 14 |
18 |
|
C |
19 |
6 |
10857 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
8 |
11372 |
180.8 |
-0.4 |
0.576 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
B |
16 |
5 |
11372 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
6 |
11372 |
131.6 |
-1.1 |
0.485 |
1 |
0 |
0 |
0.000 |
20 |
|
L |
14 |
4 |
11466 |
x |
L |
-x,y-1/2,-z |
2_545 |
18 |
6 |
11466 |
129.3 |
-1.4 |
0.420 |
0 |
0 |
0 |
0.000 |
| Average: |
130.4 |
-1.3 |
0.453 |
1 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[GOL]L:301 |
6 |
1 |
219 |
f |
L |
x,y,z |
1_555 |
22 |
9 |
11466 |
105.2 |
0.0 |
0.608 |
5 |
0 |
0 |
0.036 |
22 |
|
[GOL]B:301 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
11372 |
101.8 |
0.1 |
0.621 |
5 |
0 |
0 |
0.036 |
| Average: |
103.5 |
0.1 |
0.614 |
5 |
0 |
0 |
0.036 |
| 17 |
23 |
|
[EDO]H:302 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
11854 |
104.7 |
2.0 |
0.362 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[SCN]H:301 |
3 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
11854 |
93.2 |
-2.6 |
0.637 |
1 |
0 |
0 |
0.291 |
| 19 |
25 |
|
[GOL]A:301 |
5 |
1 |
219 |
f |
X |
x,y,z |
1_555 |
14 |
5 |
10629 |
91.6 |
-0.5 |
0.485 |
1 |
0 |
0 |
0.100 |
| 20 |
26 |
|
[SCN]A:302 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
12095 |
91.4 |
-2.9 |
0.490 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
H |
9 |
3 |
11854 |
◊ |
X |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
10629 |
87.1 |
-0.5 |
0.443 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[SCN]X:301 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12095 |
76.2 |
-2.0 |
0.628 |
0 |
0 |
0 |
0.032 |
| 23 |
29 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10857 |
74.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 24 |
30 |
|
C |
10 |
4 |
10857 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
12095 |
71.0 |
0.5 |
0.720 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[SCN]B:302 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11372 |
69.8 |
-3.4 |
0.460 |
1 |
0 |
0 |
0.065 |
| 26 |
32 |
|
[SCN]L:302 |
3 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
11466 |
67.2 |
-3.4 |
0.411 |
1 |
0 |
0 |
0.064 |
| 27 |
33 |
|
H |
7 |
2 |
11854 |
◊ |
X |
x,y,z-1 |
1_554 |
6 |
3 |
10629 |
64.3 |
1.5 |
0.844 |
3 |
2 |
0 |
0.000 |
| 28 |
34 |
|
[SCN]A:303 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12095 |
63.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.068 |
| 29 |
35 |
|
[SCN]A:302 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11372 |
59.4 |
-2.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[GOL]B:301 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12095 |
59.0 |
-0.2 |
0.553 |
2 |
0 |
0 |
0.000 |
37 |
|
[GOL]L:301 |
3 |
1 |
219 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
11854 |
55.3 |
-0.1 |
0.553 |
2 |
0 |
0 |
0.000 |
| Average: |
57.2 |
-0.2 |
0.553 |
2 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[SCN]X:301 |
3 |
1 |
184 |
◊ |
X |
x,y,z |
1_555 |
12 |
6 |
10629 |
57.7 |
0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
| 32 |
39 |
|
[GOL]A:301 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11372 |
57.2 |
-0.5 |
0.463 |
0 |
0 |
0 |
0.000 |
| 33 |
40 |
|
[SCN]H:301 |
3 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
9 |
2 |
11466 |
56.0 |
-2.4 |
0.450 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
L |
8 |
4 |
11466 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
11372 |
51.2 |
-0.6 |
0.431 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[SCN]L:302 |
3 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
11854 |
50.9 |
-1.0 |
0.591 |
0 |
0 |
0 |
0.000 |
| 36 |
43 |
|
[SCN]B:302 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
12095 |
49.9 |
-1.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 37 |
44 |
|
L |
7 |
4 |
11466 |
◊ |
X |
-x,y-1/2,-z+1 |
2_546 |
6 |
5 |
10629 |
48.7 |
-0.3 |
0.529 |
0 |
0 |
0 |
0.000 |
| 38 |
45 |
|
H |
6 |
2 |
11854 |
◊ |
X |
x-1,y,z-1 |
1_454 |
5 |
2 |
10629 |
43.5 |
0.9 |
0.817 |
0 |
2 |
0 |
0.000 |
| 39 |
46 |
|
L |
3 |
1 |
11466 |
◊ |
X |
x,y,z-1 |
1_554 |
4 |
2 |
10629 |
39.6 |
1.0 |
0.879 |
1 |
0 |
0 |
0.000 |
| 40 |
47 |
|
[GOL]A:301 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12095 |
37.5 |
0.6 |
0.696 |
1 |
0 |
0 |
0.000 |
| 41 |
48 |
|
H |
2 |
1 |
11854 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
2 |
12095 |
35.5 |
0.0 |
0.484 |
1 |
0 |
0 |
0.000 |
| 42 |
49 |
|
A |
1 |
1 |
12095 |
◊ |
X |
x,y,z-1 |
1_554 |
3 |
2 |
10629 |
14.3 |
-0.3 |
0.306 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
H |
2 |
1 |
11854 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
10857 |
12.5 |
-0.1 |
0.482 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
A |
2 |
1 |
12095 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
12095 |
12.0 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
1 |
1 |
11854 |
x |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11854 |
5.9 |
-0.2 |
0.310 |
0 |
0 |
0 |
0.000 |
| Average: |
9.0 |
-0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
[SCN]A:303 |
1 |
1 |
133 |
◊ |
X |
x,y,z-1 |
1_554 |
1 |
1 |
10629 |
8.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
[SCN]B:302 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10857 |
3.4 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
[SCN]A:303 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11372 |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|