## |
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 |
183 |
44 |
13797 |
◊ |
E |
x,y,z |
1_555 |
190 |
48 |
13986 |
1798.2 |
-22.0 |
0.119 |
23 |
13 |
0 |
0.780 |
2 |
|
D |
190 |
47 |
13954 |
◊ |
C |
x,y,z |
1_555 |
191 |
48 |
14156 |
1753.4 |
-25.2 |
0.058 |
23 |
13 |
0 |
0.780 |
3 |
|
B |
184 |
49 |
13700 |
◊ |
A |
x,y,z |
1_555 |
193 |
50 |
14042 |
1742.1 |
-25.5 |
0.047 |
22 |
10 |
0 |
0.780 |
4 |
|
H |
183 |
47 |
13842 |
◊ |
G |
x,y,z |
1_555 |
188 |
49 |
14087 |
1729.7 |
-25.1 |
0.046 |
22 |
12 |
0 |
0.780 |
Average: |
1755.8 |
-24.5 |
0.068 |
23 |
12 |
0 |
0.780 |
2 |
5 |
|
F |
89 |
29 |
13797 |
◊ |
C |
x,y,z |
1_555 |
94 |
29 |
14156 |
937.5 |
-5.4 |
0.504 |
13 |
5 |
0 |
0.201 |
6 |
|
H |
86 |
29 |
13842 |
◊ |
G |
-x+3,y,-z+2 |
2_857 |
94 |
28 |
14087 |
912.2 |
-5.4 |
0.515 |
10 |
3 |
0 |
0.201 |
7 |
|
E |
76 |
25 |
13986 |
◊ |
D |
x,y,z |
1_555 |
79 |
26 |
13954 |
804.2 |
-8.2 |
0.302 |
7 |
0 |
0 |
0.201 |
8 |
|
B |
76 |
26 |
13700 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
78 |
28 |
14042 |
775.4 |
-7.8 |
0.279 |
10 |
1 |
0 |
0.201 |
Average: |
857.3 |
-6.7 |
0.400 |
10 |
2 |
0 |
0.201 |
3 |
9 |
|
[NAD]A:1401 |
41 |
1 |
833 |
f |
A |
x,y,z |
1_555 |
74 |
30 |
14042 |
548.0 |
-5.5 |
0.540 |
13 |
0 |
0 |
0.248 |
10 |
|
[NAD]E:1403 |
43 |
1 |
831 |
f |
E |
x,y,z |
1_555 |
73 |
29 |
13986 |
547.3 |
-5.5 |
0.578 |
13 |
0 |
0 |
0.248 |
11 |
|
[NAD]G:1404 |
41 |
1 |
839 |
f |
G |
x,y,z |
1_555 |
68 |
30 |
14087 |
546.0 |
-5.5 |
0.540 |
12 |
0 |
0 |
0.248 |
12 |
|
[NAD]C:1402 |
43 |
1 |
826 |
f |
C |
x,y,z |
1_555 |
68 |
29 |
14156 |
542.2 |
-5.2 |
0.541 |
12 |
0 |
0 |
0.248 |
Average: |
545.9 |
-5.4 |
0.550 |
13 |
0 |
0 |
0.248 |
4 |
13 |
|
H |
60 |
24 |
13842 |
◊ |
E |
x,y,z |
1_555 |
56 |
17 |
13986 |
533.5 |
-2.1 |
0.559 |
7 |
5 |
0 |
0.102 |
14 |
|
G |
54 |
15 |
14087 |
◊ |
F |
x,y,z |
1_555 |
49 |
20 |
13797 |
502.5 |
-3.8 |
0.333 |
7 |
4 |
0 |
0.102 |
15 |
|
C |
50 |
15 |
14156 |
◊ |
B |
x,y,z |
1_555 |
49 |
20 |
13700 |
475.3 |
-3.4 |
0.436 |
3 |
0 |
0 |
0.102 |
16 |
|
D |
48 |
20 |
13954 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
14042 |
460.7 |
-3.1 |
0.430 |
8 |
4 |
0 |
0.102 |
Average: |
493.0 |
-3.1 |
0.440 |
6 |
3 |
0 |
0.102 |
5 |
17 |
|
C |
45 |
18 |
14156 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
49 |
16 |
13842 |
483.5 |
-5.0 |
0.296 |
3 |
3 |
0 |
0.000 |
6 |
18 |
|
F |
34 |
10 |
13797 |
◊ |
G |
-x+5/2,y-1/2,-z+2 |
4_747 |
32 |
10 |
14087 |
277.7 |
1.4 |
0.812 |
4 |
5 |
0 |
0.000 |
7 |
19 |
|
C |
24 |
10 |
14156 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
14042 |
238.2 |
-4.0 |
0.203 |
4 |
0 |
0 |
0.043 |
20 |
|
G |
22 |
9 |
14087 |
◊ |
E |
x,y,z |
1_555 |
25 |
10 |
13986 |
231.2 |
-3.7 |
0.242 |
4 |
0 |
0 |
0.043 |
Average: |
234.7 |
-3.8 |
0.223 |
4 |
0 |
0 |
0.043 |
8 |
21 |
|
H |
23 |
8 |
13842 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
24 |
10 |
13700 |
224.2 |
-0.2 |
0.656 |
2 |
8 |
0 |
0.000 |
9 |
22 |
|
E |
14 |
6 |
13986 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
14156 |
130.7 |
1.8 |
0.881 |
3 |
0 |
0 |
0.000 |
23 |
|
A |
12 |
5 |
14042 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
5 |
14042 |
122.7 |
1.6 |
0.870 |
2 |
0 |
0 |
0.000 |
24 |
|
H |
12 |
5 |
13842 |
◊ |
H |
-x+3,y,-z+2 |
2_857 |
12 |
5 |
13842 |
119.5 |
1.7 |
0.869 |
2 |
0 |
0 |
0.000 |
25 |
|
B |
13 |
5 |
13700 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
13 |
5 |
13700 |
93.1 |
1.4 |
0.842 |
2 |
0 |
0 |
0.000 |
26 |
|
G |
9 |
4 |
14087 |
◊ |
G |
-x+3,y,-z+2 |
2_857 |
9 |
4 |
14087 |
87.3 |
2.0 |
0.916 |
0 |
0 |
0 |
0.000 |
27 |
|
F |
6 |
3 |
13797 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
13954 |
61.8 |
0.4 |
0.756 |
0 |
0 |
0 |
0.000 |
Average: |
102.5 |
1.5 |
0.855 |
2 |
0 |
0 |
0.000 |
10 |
28 |
|
[SO4]H:1502 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
19 |
9 |
13842 |
124.7 |
-19.4 |
0.555 |
2 |
0 |
0 |
0.299 |
11 |
29 |
|
[SO4]B:1501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
13700 |
118.4 |
-18.9 |
0.575 |
2 |
0 |
0 |
0.292 |
12 |
30 |
|
G |
7 |
3 |
14087 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
13 |
4 |
14042 |
82.9 |
1.5 |
0.868 |
0 |
3 |
0 |
0.000 |
13 |
31 |
|
B |
5 |
3 |
13700 |
◊ |
D |
-x+3/2,y-1/2,-z+1 |
4_646 |
5 |
2 |
13954 |
39.2 |
-0.5 |
0.444 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
[SO4]B:1501 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14156 |
4.0 |
-0.6 |
0.613 |
0 |
0 |
0 |
0.004 |
15 |
33 |
|
[NAD]A:1401 |
1 |
1 |
833 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14156 |
3.8 |
-0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAD]G:1404 |
2 |
1 |
839 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13986 |
3.7 |
-0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAD]C:1402 |
1 |
1 |
826 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14042 |
2.4 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
Average: |
3.3 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|