| ## |
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 |
|
G |
208 |
54 |
14329 |
◊ |
F |
x,y,z |
1_555 |
206 |
56 |
14428 |
1949.9 |
-26.6 |
0.085 |
31 |
16 |
0 |
0.697 |
2 |
|
E |
205 |
56 |
13984 |
◊ |
D |
x,y,z |
1_555 |
210 |
55 |
14151 |
1944.5 |
-26.5 |
0.173 |
33 |
16 |
0 |
0.697 |
3 |
|
C |
210 |
55 |
14307 |
◊ |
B |
x,y,z |
1_555 |
204 |
55 |
14671 |
1943.8 |
-26.5 |
0.084 |
31 |
16 |
0 |
0.697 |
4 |
|
H |
203 |
55 |
14782 |
◊ |
A |
x,y,z |
1_555 |
210 |
54 |
14331 |
1936.8 |
-27.3 |
0.187 |
33 |
16 |
0 |
0.697 |
| Average: |
1943.8 |
-26.7 |
0.132 |
32 |
16 |
0 |
0.697 |
| 2 |
5 |
|
H |
140 |
36 |
14782 |
◊ |
E |
x,y,z |
1_555 |
141 |
35 |
13984 |
1243.7 |
-13.6 |
0.621 |
24 |
1 |
0 |
0.504 |
6 |
|
F |
145 |
37 |
14428 |
◊ |
C |
x,y,z |
1_555 |
143 |
37 |
14307 |
1243.3 |
-13.4 |
0.323 |
23 |
0 |
0 |
0.504 |
7 |
|
G |
144 |
36 |
14329 |
◊ |
B |
x,y,z |
1_555 |
141 |
36 |
14671 |
1241.9 |
-14.9 |
0.252 |
23 |
1 |
0 |
0.504 |
8 |
|
D |
143 |
36 |
14151 |
◊ |
A |
x,y,z |
1_555 |
145 |
37 |
14331 |
1233.4 |
-14.0 |
0.342 |
23 |
1 |
0 |
0.504 |
| Average: |
1240.6 |
-14.0 |
0.385 |
23 |
1 |
0 |
0.504 |
| 3 |
9 |
|
[NAD]E:500 |
42 |
1 |
836 |
f |
E |
x,y,z |
1_555 |
81 |
35 |
13984 |
548.3 |
-7.3 |
0.547 |
6 |
0 |
0 |
0.431 |
10 |
|
[NAD]C:401 |
42 |
1 |
832 |
f |
C |
x,y,z |
1_555 |
79 |
34 |
14307 |
548.0 |
-7.5 |
0.424 |
6 |
0 |
0 |
0.431 |
11 |
|
[NAD]D:500 |
41 |
1 |
828 |
f |
D |
x,y,z |
1_555 |
76 |
32 |
14151 |
545.2 |
-7.3 |
0.443 |
6 |
0 |
0 |
0.431 |
12 |
|
[NAD]A:401 |
43 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
79 |
32 |
14331 |
545.1 |
-7.3 |
0.426 |
7 |
0 |
0 |
0.431 |
13 |
|
[NAD]F:401 |
43 |
1 |
832 |
f |
F |
x,y,z |
1_555 |
78 |
32 |
14428 |
541.9 |
-7.0 |
0.418 |
7 |
0 |
0 |
0.431 |
14 |
|
[NAD]G:401 |
40 |
1 |
828 |
f |
G |
x,y,z |
1_555 |
77 |
33 |
14329 |
541.3 |
-7.3 |
0.419 |
7 |
0 |
0 |
0.431 |
15 |
|
[NAD]B:401 |
41 |
1 |
832 |
f |
B |
x,y,z |
1_555 |
75 |
32 |
14671 |
540.7 |
-7.1 |
0.401 |
7 |
0 |
0 |
0.431 |
16 |
|
[NAD]H:500 |
41 |
1 |
842 |
f |
H |
x,y,z |
1_555 |
74 |
32 |
14782 |
537.4 |
-7.9 |
0.567 |
6 |
0 |
0 |
0.431 |
| Average: |
543.5 |
-7.3 |
0.456 |
7 |
0 |
0 |
0.431 |
| 4 |
17 |
|
F |
59 |
16 |
14428 |
◊ |
B |
x,y,z |
1_555 |
58 |
16 |
14671 |
504.6 |
0.4 |
0.821 |
9 |
2 |
0 |
0.038 |
18 |
|
G |
59 |
16 |
14329 |
◊ |
C |
x,y,z |
1_555 |
57 |
16 |
14307 |
500.1 |
0.1 |
0.830 |
7 |
0 |
0 |
0.038 |
19 |
|
E |
55 |
16 |
13984 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
14331 |
456.0 |
-0.4 |
0.844 |
6 |
2 |
0 |
0.038 |
20 |
|
H |
54 |
14 |
14782 |
◊ |
D |
x,y,z |
1_555 |
50 |
13 |
14151 |
413.5 |
-2.3 |
0.754 |
4 |
0 |
0 |
0.038 |
| Average: |
468.6 |
-0.5 |
0.812 |
7 |
1 |
0 |
0.038 |
| 5 |
21 |
|
D |
36 |
13 |
14151 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
14 |
14671 |
364.6 |
-1.6 |
0.653 |
3 |
0 |
0 |
0.000 |
| 6 |
22 |
|
A |
32 |
11 |
14331 |
◊ |
G |
x,y,z-1 |
1_554 |
37 |
13 |
14329 |
268.1 |
1.6 |
0.874 |
3 |
0 |
0 |
0.000 |
| 7 |
23 |
|
F |
28 |
9 |
14428 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
9 |
14307 |
225.3 |
-0.0 |
0.741 |
2 |
0 |
0 |
0.000 |
| 8 |
24 |
|
D |
22 |
9 |
14151 |
◊ |
F |
x-1,y,z |
1_455 |
17 |
8 |
14428 |
175.0 |
-0.9 |
0.601 |
1 |
1 |
0 |
0.000 |
| 9 |
25 |
|
A |
16 |
6 |
14331 |
◊ |
B |
x-1,y,z-1 |
1_454 |
17 |
7 |
14671 |
135.5 |
-0.9 |
0.549 |
2 |
0 |
0 |
0.000 |
| 10 |
26 |
|
H |
17 |
9 |
14782 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
25 |
7 |
14307 |
129.3 |
-0.2 |
0.762 |
1 |
0 |
0 |
0.000 |
| 11 |
27 |
|
C |
17 |
6 |
14307 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
4 |
14671 |
114.9 |
0.3 |
0.730 |
1 |
1 |
0 |
0.000 |
| 12 |
28 |
|
H |
11 |
7 |
14782 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
16 |
7 |
14329 |
114.5 |
-0.1 |
0.722 |
3 |
0 |
0 |
0.000 |
| 13 |
29 |
|
[EDO]G:402 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
14329 |
100.9 |
2.6 |
0.483 |
4 |
0 |
0 |
0.000 |
| 14 |
30 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
14671 |
100.7 |
1.6 |
0.314 |
3 |
0 |
0 |
0.000 |
| 15 |
31 |
|
[EDO]F:402 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
14428 |
100.6 |
2.4 |
0.431 |
3 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
14331 |
99.8 |
1.5 |
0.287 |
4 |
0 |
0 |
0.005 |
| 17 |
33 |
|
[EDO]C:402 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
14307 |
99.0 |
2.5 |
0.362 |
2 |
0 |
0 |
0.000 |
| 18 |
34 |
|
[EDO]A:402 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14331 |
97.5 |
2.4 |
0.283 |
4 |
0 |
0 |
0.000 |
| 19 |
35 |
|
F |
15 |
6 |
14428 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
14331 |
92.8 |
-0.5 |
0.565 |
1 |
0 |
0 |
0.000 |
| 20 |
36 |
|
E |
9 |
4 |
13984 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
5 |
14671 |
91.6 |
-0.6 |
0.481 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
A |
7 |
2 |
14331 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
5 |
2 |
14307 |
62.0 |
-0.4 |
0.485 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
[NAD]H:500 |
8 |
1 |
842 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
13984 |
60.8 |
-3.0 |
0.226 |
0 |
0 |
0 |
0.122 |
39 |
|
[NAD]C:401 |
8 |
1 |
832 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
14428 |
56.0 |
-2.9 |
0.239 |
0 |
0 |
0 |
0.122 |
40 |
|
[NAD]E:500 |
8 |
1 |
836 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
14782 |
55.0 |
-2.7 |
0.286 |
0 |
0 |
0 |
0.122 |
41 |
|
[NAD]B:401 |
8 |
1 |
832 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
14329 |
54.3 |
-2.9 |
0.250 |
0 |
0 |
0 |
0.122 |
42 |
|
[NAD]F:401 |
8 |
1 |
832 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
14307 |
53.2 |
-2.9 |
0.245 |
0 |
0 |
0 |
0.122 |
43 |
|
[NAD]D:500 |
8 |
1 |
828 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
14331 |
53.0 |
-2.8 |
0.252 |
0 |
0 |
0 |
0.122 |
44 |
|
[NAD]A:401 |
8 |
1 |
830 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
14151 |
51.5 |
-2.7 |
0.269 |
0 |
0 |
0 |
0.122 |
45 |
|
[NAD]G:401 |
7 |
1 |
828 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
14671 |
48.6 |
-2.6 |
0.252 |
0 |
0 |
0 |
0.122 |
| Average: |
54.1 |
-2.8 |
0.252 |
0 |
0 |
0 |
0.122 |
| 23 |
46 |
|
F |
3 |
1 |
14428 |
◊ |
G |
x,y,z-1 |
1_554 |
5 |
3 |
14329 |
46.3 |
-0.7 |
0.232 |
0 |
0 |
0 |
0.000 |
| 24 |
47 |
|
H |
4 |
2 |
14782 |
◊ |
F |
x-1,y,z-1 |
1_454 |
6 |
2 |
14428 |
43.4 |
0.7 |
0.863 |
1 |
2 |
0 |
0.000 |
| 25 |
48 |
|
E |
3 |
3 |
13984 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
4 |
14307 |
31.7 |
-0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
| 26 |
49 |
|
E |
1 |
1 |
13984 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
14329 |
17.1 |
-0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
| 27 |
50 |
|
E |
2 |
1 |
13984 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
14671 |
15.8 |
0.3 |
0.819 |
0 |
0 |
0 |
0.000 |
| 28 |
51 |
|
D |
3 |
1 |
14151 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
14671 |
11.5 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 29 |
52 |
|
H |
1 |
1 |
14782 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
14671 |
6.3 |
0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
| 30 |
53 |
|
A |
1 |
1 |
14331 |
◊ |
F |
x-1,y,z-1 |
1_454 |
3 |
1 |
14428 |
3.0 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
| 31 |
54 |
|
H |
1 |
1 |
14782 |
◊ |
G |
x-1,y,z-1 |
1_454 |
1 |
1 |
14329 |
2.6 |
-0.1 |
0.414 |
0 |
0 |
0 |
0.000 |
| 32 |
55 |
|
F |
2 |
1 |
14428 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13984 |
1.3 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|