| ## |
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 |
|
F |
364 |
93 |
21081 |
◊ |
E |
x,y,z |
1_555 |
362 |
94 |
20877 |
3599.3 |
-31.7 |
0.029 |
56 |
7 |
0 |
0.893 |
2 |
|
H |
368 |
94 |
20880 |
◊ |
G |
x,y,z |
1_555 |
360 |
95 |
20971 |
3595.7 |
-29.2 |
0.044 |
54 |
7 |
0 |
0.893 |
3 |
|
B |
363 |
93 |
20945 |
◊ |
A |
x,y,z |
1_555 |
359 |
90 |
20781 |
3573.1 |
-29.9 |
0.049 |
56 |
10 |
0 |
0.893 |
4 |
|
D |
363 |
92 |
20873 |
◊ |
C |
x,y,z |
1_555 |
356 |
94 |
20947 |
3555.8 |
-29.2 |
0.055 |
55 |
8 |
0 |
0.893 |
| Average: |
3581.0 |
-30.0 |
0.044 |
55 |
8 |
0 |
0.893 |
| 2 |
5 |
|
G |
118 |
36 |
20971 |
◊ |
F |
x,y,z |
1_555 |
122 |
36 |
21081 |
1141.8 |
-5.2 |
0.396 |
18 |
12 |
0 |
0.693 |
6 |
|
D |
118 |
36 |
20873 |
◊ |
A |
x,y,z |
1_555 |
119 |
35 |
20781 |
1138.2 |
-6.7 |
0.316 |
16 |
9 |
0 |
0.693 |
7 |
|
H |
119 |
37 |
20880 |
◊ |
E |
x,y,z |
1_555 |
118 |
35 |
20877 |
1131.7 |
-6.9 |
0.287 |
13 |
8 |
0 |
0.693 |
8 |
|
C |
114 |
36 |
20947 |
◊ |
B |
x,y,z |
1_555 |
117 |
37 |
20945 |
1109.4 |
-7.1 |
0.309 |
13 |
9 |
0 |
0.693 |
| Average: |
1130.3 |
-6.5 |
0.327 |
15 |
10 |
0 |
0.693 |
| 3 |
9 |
|
G |
100 |
26 |
20971 |
◊ |
E |
x,y,z |
1_555 |
102 |
26 |
20877 |
922.2 |
-2.6 |
0.506 |
15 |
4 |
0 |
0.117 |
10 |
|
D |
103 |
25 |
20873 |
◊ |
B |
x,y,z |
1_555 |
103 |
26 |
20945 |
914.6 |
-5.0 |
0.402 |
13 |
4 |
0 |
0.117 |
11 |
|
C |
96 |
26 |
20947 |
◊ |
A |
x,y,z |
1_555 |
97 |
26 |
20781 |
909.0 |
-2.4 |
0.540 |
14 |
5 |
0 |
0.117 |
12 |
|
H |
100 |
26 |
20880 |
◊ |
F |
x,y,z |
1_555 |
100 |
26 |
21081 |
881.8 |
-4.6 |
0.391 |
12 |
5 |
0 |
0.117 |
| Average: |
906.9 |
-3.7 |
0.460 |
14 |
5 |
0 |
0.117 |
| 4 |
13 |
|
G |
59 |
17 |
20971 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
69 |
19 |
20877 |
507.5 |
-0.9 |
0.531 |
1 |
0 |
0 |
0.000 |
14 |
|
C |
59 |
17 |
20947 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
66 |
18 |
20781 |
488.9 |
-1.2 |
0.549 |
1 |
0 |
0 |
0.000 |
| Average: |
498.2 |
-1.0 |
0.540 |
1 |
0 |
0 |
0.000 |
| 5 |
15 |
|
F |
48 |
15 |
21081 |
◊ |
D |
-x,-y-1/2,z-1/2 |
4_544 |
51 |
15 |
20873 |
457.9 |
-5.7 |
0.173 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
49 |
15 |
20945 |
◊ |
H |
-x,-y-1/2,z-1/2 |
4_544 |
49 |
15 |
20880 |
453.5 |
-5.2 |
0.196 |
4 |
0 |
0 |
0.000 |
| Average: |
455.7 |
-5.4 |
0.185 |
3 |
0 |
0 |
0.000 |
| 6 |
17 |
|
[NDP]A:501 |
29 |
1 |
608 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
20781 |
409.7 |
0.3 |
0.390 |
9 |
0 |
0 |
0.334 |
18 |
|
[NDP]G:501 |
29 |
1 |
610 |
f |
G |
x,y,z |
1_555 |
58 |
23 |
20971 |
408.8 |
0.1 |
0.378 |
11 |
0 |
0 |
0.334 |
19 |
|
[NDP]C:501 |
29 |
1 |
610 |
f |
C |
x,y,z |
1_555 |
60 |
23 |
20947 |
408.7 |
0.2 |
0.376 |
11 |
0 |
0 |
0.334 |
20 |
|
[NDP]E:501 |
29 |
1 |
616 |
f |
E |
x,y,z |
1_555 |
58 |
24 |
20877 |
408.1 |
-0.1 |
0.396 |
9 |
0 |
0 |
0.334 |
21 |
|
[NDP]F:500 |
29 |
1 |
600 |
f |
F |
x,y,z |
1_555 |
57 |
23 |
21081 |
407.6 |
0.8 |
0.398 |
8 |
0 |
0 |
0.334 |
22 |
|
[NDP]B:500 |
28 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
59 |
23 |
20945 |
406.6 |
0.7 |
0.404 |
11 |
0 |
0 |
0.334 |
23 |
|
[NDP]D:500 |
29 |
1 |
594 |
f |
D |
x,y,z |
1_555 |
58 |
24 |
20873 |
398.7 |
0.5 |
0.413 |
8 |
0 |
0 |
0.334 |
24 |
|
[NDP]H:500 |
29 |
1 |
595 |
f |
H |
x,y,z |
1_555 |
58 |
24 |
20880 |
394.8 |
-0.7 |
0.290 |
7 |
0 |
0 |
0.334 |
| Average: |
405.4 |
0.2 |
0.381 |
9 |
0 |
0 |
0.334 |
| 7 |
25 |
|
[NI]E:502 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
21081 |
40.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.122 |
26 |
|
[NI]A:502 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
20781 |
40.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.122 |
27 |
|
[NI]A:502 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20945 |
40.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.122 |
28 |
|
[NI]C:502 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20873 |
39.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.122 |
29 |
|
[NI]E:502 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
20877 |
39.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.122 |
30 |
|
[NI]G:502 |
1 |
1 |
115 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
20880 |
38.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.122 |
31 |
|
[NI]C:502 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
20947 |
38.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.122 |
32 |
|
[NI]G:502 |
1 |
1 |
115 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
20971 |
38.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
39.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.122 |
| 8 |
33 |
|
D |
7 |
2 |
20873 |
◊ |
G |
x-1,y,z |
1_455 |
4 |
2 |
20971 |
40.3 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| 9 |
34 |
|
F |
4 |
1 |
21081 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20781 |
10.8 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
|