| ## |
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 |
|
D |
296 |
69 |
16796 |
◊ |
C |
x,y,z |
1_555 |
294 |
69 |
16909 |
2831.4 |
-47.5 |
0.004 |
26 |
8 |
0 |
0.663 |
2 |
|
B |
293 |
68 |
16280 |
◊ |
A |
x,y,z |
1_555 |
296 |
69 |
16708 |
2791.9 |
-47.4 |
0.002 |
22 |
7 |
0 |
0.663 |
| Average: |
2811.6 |
-47.4 |
0.003 |
24 |
8 |
0 |
0.663 |
| 2 |
3 |
|
D |
166 |
43 |
16796 |
◊ |
A |
x,y,z |
1_555 |
165 |
42 |
16708 |
1594.1 |
-6.2 |
0.643 |
19 |
4 |
0 |
0.249 |
4 |
|
C |
153 |
40 |
16909 |
◊ |
B |
x,y,z |
1_555 |
154 |
42 |
16280 |
1561.3 |
-5.6 |
0.639 |
17 |
5 |
0 |
0.249 |
| Average: |
1577.7 |
-5.9 |
0.641 |
18 |
5 |
0 |
0.249 |
| 3 |
5 |
|
D |
99 |
29 |
16796 |
◊ |
B |
x,y,z |
1_555 |
91 |
27 |
16280 |
914.0 |
-12.5 |
0.107 |
8 |
0 |
0 |
0.325 |
6 |
|
C |
92 |
27 |
16909 |
◊ |
A |
x,y,z |
1_555 |
93 |
27 |
16708 |
893.8 |
-12.4 |
0.128 |
8 |
0 |
0 |
0.325 |
| Average: |
903.9 |
-12.4 |
0.118 |
8 |
0 |
0 |
0.325 |
| 4 |
7 |
|
[NAI]A:801 |
44 |
1 |
860 |
f |
A |
x,y,z |
1_555 |
85 |
33 |
16708 |
619.0 |
-4.3 |
0.645 |
11 |
0 |
0 |
0.389 |
8 |
|
[NAI]C:801 |
42 |
1 |
857 |
f |
C |
x,y,z |
1_555 |
88 |
33 |
16909 |
614.4 |
-5.9 |
0.586 |
9 |
0 |
0 |
0.389 |
9 |
|
[NAI]B:801 |
42 |
1 |
856 |
f |
B |
x,y,z |
1_555 |
84 |
33 |
16280 |
614.3 |
-8.0 |
0.405 |
11 |
0 |
0 |
0.389 |
10 |
|
[NAI]D:801 |
42 |
1 |
859 |
f |
D |
x,y,z |
1_555 |
82 |
32 |
16796 |
589.6 |
-5.3 |
0.571 |
7 |
0 |
0 |
0.389 |
| Average: |
609.3 |
-5.8 |
0.552 |
10 |
0 |
0 |
0.389 |
| 5 |
11 |
|
B |
39 |
13 |
16280 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
12 |
16708 |
367.0 |
0.6 |
0.733 |
3 |
0 |
0 |
0.000 |
| 6 |
12 |
|
B |
36 |
10 |
16280 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
35 |
10 |
16280 |
324.4 |
2.6 |
0.871 |
8 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[36V]A:803 |
24 |
1 |
473 |
f |
A |
x,y,z |
1_555 |
44 |
14 |
16708 |
298.6 |
-3.1 |
0.404 |
4 |
0 |
0 |
0.202 |
14 |
|
[36V]C:803 |
24 |
1 |
471 |
f |
C |
x,y,z |
1_555 |
37 |
13 |
16909 |
296.4 |
-3.3 |
0.374 |
4 |
0 |
0 |
0.202 |
15 |
|
[36V]D:802 |
24 |
1 |
472 |
f |
D |
x,y,z |
1_555 |
37 |
13 |
16796 |
294.2 |
-4.6 |
0.317 |
5 |
0 |
0 |
0.202 |
| Average: |
296.4 |
-3.7 |
0.365 |
4 |
0 |
0 |
0.202 |
| 8 |
16 |
|
D |
28 |
11 |
16796 |
◊ |
C |
-x,y,-z |
2_555 |
33 |
7 |
16909 |
294.2 |
-0.0 |
0.697 |
4 |
0 |
0 |
0.000 |
| 9 |
17 |
|
D |
27 |
9 |
16796 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
31 |
13 |
16708 |
269.0 |
0.5 |
0.750 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
A |
32 |
7 |
16708 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
32 |
7 |
16708 |
243.8 |
0.4 |
0.747 |
2 |
0 |
0 |
0.000 |
| 11 |
19 |
|
B |
20 |
9 |
16280 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
31 |
9 |
16796 |
223.2 |
-0.3 |
0.662 |
2 |
1 |
0 |
0.000 |
| 12 |
20 |
|
B |
23 |
9 |
16280 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
11 |
16708 |
221.9 |
-0.2 |
0.669 |
0 |
2 |
0 |
0.000 |
| 13 |
21 |
|
C |
18 |
8 |
16909 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
4 |
16708 |
173.4 |
1.2 |
0.792 |
2 |
1 |
0 |
0.000 |
| 14 |
22 |
|
D |
21 |
10 |
16796 |
x |
D |
-x+1/2,y-1/2,-z |
4_545 |
22 |
9 |
16796 |
164.6 |
-0.5 |
0.617 |
3 |
1 |
0 |
0.000 |
| 15 |
23 |
|
[EPE]C:802 |
15 |
1 |
407 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
16909 |
148.4 |
2.1 |
0.016 |
2 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[EPE]A:802 |
10 |
1 |
404 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
16708 |
137.1 |
2.0 |
0.087 |
2 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[EPE]B:803 |
11 |
1 |
405 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
16280 |
125.7 |
1.6 |
0.051 |
2 |
0 |
0 |
0.000 |
| 18 |
26 |
|
B |
12 |
5 |
16280 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
6 |
16909 |
113.4 |
0.3 |
0.587 |
2 |
1 |
0 |
0.000 |
| 19 |
27 |
|
[SO4]D:803 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
16796 |
94.2 |
-12.0 |
0.865 |
3 |
0 |
0 |
0.217 |
| 20 |
28 |
|
B |
9 |
4 |
16280 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
16280 |
89.9 |
0.2 |
0.688 |
1 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[36V]D:802 |
10 |
1 |
472 |
f |
[NAI]D:801 |
x,y,z |
1_555 |
9 |
1 |
859 |
69.4 |
-1.0 |
0.491 |
0 |
0 |
0 |
0.109 |
30 |
|
[36V]C:803 |
8 |
1 |
471 |
f |
[NAI]C:801 |
x,y,z |
1_555 |
9 |
1 |
857 |
68.7 |
-2.6 |
0.353 |
0 |
0 |
0 |
0.109 |
31 |
|
[36V]A:803 |
8 |
1 |
473 |
f |
[NAI]A:801 |
x,y,z |
1_555 |
9 |
1 |
860 |
68.6 |
-2.7 |
0.351 |
0 |
0 |
0 |
0.109 |
| Average: |
68.9 |
-2.1 |
0.398 |
0 |
0 |
0 |
0.109 |
| 22 |
32 |
|
[SO4]D:803 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
16280 |
48.9 |
-6.7 |
0.563 |
1 |
0 |
0 |
0.109 |
| 23 |
33 |
|
C |
4 |
2 |
16909 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
2 |
16708 |
41.3 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
A |
3 |
1 |
16708 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16796 |
34.8 |
0.5 |
0.774 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[NAI]D:801 |
4 |
1 |
859 |
◊ |
C |
-x,y,-z |
2_555 |
4 |
1 |
16909 |
30.6 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[EPE]B:803 |
3 |
1 |
405 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
16708 |
29.6 |
0.7 |
0.222 |
1 |
0 |
0 |
0.000 |
| 27 |
37 |
|
D |
1 |
1 |
16796 |
f |
[EPE]A:802 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
404 |
6.7 |
0.1 |
0.243 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[SO4]D:803 |
2 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16909 |
6.5 |
-0.9 |
0.659 |
0 |
0 |
0 |
0.008 |
| 29 |
39 |
|
[EPE]B:803 |
1 |
1 |
405 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
16280 |
1.2 |
0.0 |
0.360 |
0 |
0 |
0 |
0.000 |
|