| ## |
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 |
|
C |
202 |
52 |
14945 |
◊ |
B |
x,y,z |
1_555 |
209 |
53 |
14913 |
1960.9 |
-29.8 |
0.006 |
12 |
2 |
0 |
0.732 |
2 |
|
D |
205 |
52 |
15031 |
◊ |
A |
x,y,z |
1_555 |
204 |
53 |
15001 |
1943.3 |
-31.1 |
0.004 |
10 |
2 |
0 |
0.732 |
| Average: |
1952.1 |
-30.5 |
0.005 |
11 |
2 |
0 |
0.732 |
| 2 |
3 |
|
D |
146 |
39 |
15031 |
◊ |
C |
x,y,z |
1_555 |
143 |
38 |
14945 |
1432.1 |
-4.5 |
0.543 |
15 |
12 |
0 |
0.191 |
4 |
|
B |
145 |
39 |
14913 |
◊ |
A |
x,y,z |
1_555 |
142 |
38 |
15001 |
1420.1 |
-3.7 |
0.541 |
14 |
10 |
0 |
0.191 |
| Average: |
1426.1 |
-4.1 |
0.542 |
15 |
11 |
0 |
0.191 |
| 3 |
5 |
|
D |
84 |
22 |
15031 |
◊ |
B |
x,y,z |
1_555 |
88 |
24 |
14913 |
786.0 |
5.0 |
0.895 |
12 |
10 |
0 |
0.034 |
6 |
|
C |
79 |
21 |
14945 |
◊ |
A |
x,y,z |
1_555 |
83 |
23 |
15001 |
739.5 |
5.9 |
0.909 |
15 |
12 |
0 |
0.034 |
| Average: |
762.7 |
5.4 |
0.902 |
14 |
11 |
0 |
0.034 |
| 4 |
7 |
|
[NAD]B:402 |
43 |
1 |
865 |
f |
B |
x,y,z |
1_555 |
83 |
35 |
14913 |
604.9 |
-6.6 |
0.409 |
3 |
0 |
0 |
0.164 |
8 |
|
[NAD]D:402 |
42 |
1 |
862 |
f |
D |
x,y,z |
1_555 |
83 |
34 |
15031 |
600.9 |
-6.4 |
0.429 |
3 |
0 |
0 |
0.164 |
| Average: |
602.9 |
-6.5 |
0.419 |
3 |
0 |
0 |
0.164 |
| 5 |
9 |
|
[NAI]A:402 |
42 |
1 |
866 |
f |
A |
x,y,z |
1_555 |
83 |
35 |
15001 |
604.4 |
-7.6 |
0.319 |
2 |
0 |
0 |
0.167 |
10 |
|
[NAI]C:402 |
42 |
1 |
863 |
f |
C |
x,y,z |
1_555 |
83 |
35 |
14945 |
603.7 |
-6.7 |
0.413 |
2 |
0 |
0 |
0.167 |
| Average: |
604.1 |
-7.1 |
0.366 |
2 |
0 |
0 |
0.167 |
| 6 |
11 |
|
C |
55 |
16 |
14945 |
◊ |
A |
x-y,x,z-1/2 |
2_554 |
57 |
16 |
15001 |
506.3 |
-5.2 |
0.254 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
20 |
7 |
14913 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
26 |
10 |
14945 |
205.9 |
0.2 |
0.634 |
2 |
2 |
0 |
0.000 |
13 |
|
A |
24 |
9 |
15001 |
◊ |
D |
-y+1,x-y+1,z |
3_665 |
16 |
6 |
15031 |
185.0 |
0.5 |
0.673 |
0 |
2 |
0 |
0.000 |
| Average: |
195.4 |
0.4 |
0.653 |
1 |
2 |
0 |
0.000 |
| 8 |
14 |
|
[PYR]D:401 |
6 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
15031 |
113.1 |
2.2 |
0.319 |
5 |
0 |
0 |
0.000 |
15 |
|
[PYR]C:401 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
14945 |
106.3 |
3.3 |
0.537 |
5 |
0 |
0 |
0.000 |
16 |
|
[PYR]A:401 |
6 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
15001 |
106.2 |
2.3 |
0.365 |
5 |
0 |
0 |
0.000 |
| Average: |
108.5 |
2.6 |
0.407 |
5 |
0 |
0 |
0.000 |
| 9 |
17 |
|
D |
16 |
6 |
15031 |
◊ |
B |
-y,x-y,z |
3_555 |
12 |
7 |
14913 |
112.2 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[PYR]B:401 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
14913 |
110.0 |
2.3 |
0.381 |
5 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[NAI]C:402 |
9 |
1 |
863 |
f |
[PYR]C:401 |
x,y,z |
1_555 |
6 |
1 |
214 |
57.4 |
0.8 |
0.737 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAI]A:402 |
9 |
1 |
866 |
f |
[PYR]A:401 |
x,y,z |
1_555 |
6 |
1 |
211 |
55.6 |
0.7 |
0.746 |
0 |
0 |
0 |
0.000 |
| Average: |
56.5 |
0.7 |
0.742 |
0 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[NAD]B:402 |
10 |
1 |
865 |
f |
[PYR]B:401 |
x,y,z |
1_555 |
6 |
1 |
214 |
57.2 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAD]D:402 |
9 |
1 |
862 |
f |
[PYR]D:401 |
x,y,z |
1_555 |
6 |
1 |
213 |
55.7 |
0.6 |
0.736 |
0 |
0 |
0 |
0.000 |
| Average: |
56.4 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
D |
11 |
5 |
15031 |
◊ |
A |
-y,x-y,z |
3_555 |
10 |
5 |
15001 |
50.0 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
A |
3 |
1 |
15001 |
x |
A |
-y,x-y,z |
3_555 |
3 |
2 |
15001 |
40.6 |
0.6 |
0.806 |
0 |
2 |
0 |
0.000 |
| 15 |
25 |
|
D |
5 |
2 |
15031 |
◊ |
B |
x-y,x,z+1/2 |
2_555 |
8 |
3 |
14913 |
28.7 |
0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
C |
3 |
2 |
14945 |
x |
C |
-y,x-y,z |
3_555 |
2 |
2 |
14945 |
15.7 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
B |
1 |
1 |
14913 |
◊ |
D |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
15031 |
0.8 |
0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
|