| ## |
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 |
|
B |
83 |
23 |
8952 |
◊ |
A |
x,y,z |
1_555 |
83 |
21 |
8784 |
841.0 |
-11.3 |
0.160 |
5 |
6 |
0 |
0.805 |
2 |
|
C |
84 |
21 |
8792 |
◊ |
C |
x,-y,-z |
4_555 |
84 |
21 |
8792 |
801.0 |
-11.2 |
0.190 |
8 |
8 |
0 |
0.805 |
3 |
|
D |
77 |
20 |
8803 |
◊ |
D |
x,-y,-z |
4_555 |
77 |
20 |
8803 |
781.8 |
-11.9 |
0.118 |
4 |
8 |
0 |
0.805 |
| Average: |
808.0 |
-11.5 |
0.156 |
6 |
7 |
0 |
0.805 |
| 2 |
4 |
|
A |
56 |
13 |
8784 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
56 |
13 |
8784 |
501.6 |
-9.7 |
0.116 |
4 |
0 |
0 |
0.374 |
5 |
|
D |
48 |
13 |
8803 |
◊ |
C |
x-1,y,z |
1_455 |
54 |
14 |
8792 |
501.6 |
-9.9 |
0.087 |
4 |
0 |
0 |
0.374 |
6 |
|
B |
48 |
13 |
8952 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
48 |
13 |
8952 |
480.5 |
-9.5 |
0.064 |
4 |
0 |
0 |
0.374 |
| Average: |
494.6 |
-9.7 |
0.089 |
4 |
0 |
0 |
0.374 |
| 3 |
7 |
|
C |
36 |
10 |
8792 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
8952 |
353.2 |
0.4 |
0.766 |
3 |
2 |
0 |
0.000 |
8 |
|
D |
35 |
11 |
8803 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
30 |
9 |
8952 |
288.7 |
-0.4 |
0.651 |
5 |
3 |
0 |
0.000 |
| Average: |
320.9 |
0.0 |
0.708 |
4 |
3 |
0 |
0.000 |
| 4 |
9 |
|
C |
33 |
11 |
8792 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
29 |
10 |
8952 |
246.2 |
-2.3 |
0.488 |
2 |
0 |
0 |
0.000 |
| 5 |
10 |
|
D |
27 |
7 |
8803 |
◊ |
A |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
19 |
8 |
8784 |
210.0 |
0.4 |
0.635 |
4 |
1 |
0 |
0.000 |
| 6 |
11 |
|
B |
19 |
6 |
8952 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
19 |
6 |
8952 |
188.5 |
2.3 |
0.881 |
2 |
6 |
0 |
0.000 |
12 |
|
D |
13 |
4 |
8803 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
8792 |
127.3 |
0.6 |
0.737 |
0 |
0 |
0 |
0.000 |
| Average: |
157.9 |
1.4 |
0.809 |
1 |
3 |
0 |
0.000 |
| 7 |
13 |
|
[CIT]C:502 |
12 |
1 |
310 |
f |
C |
x,y,z |
1_555 |
29 |
14 |
8792 |
188.4 |
0.7 |
0.459 |
6 |
0 |
0 |
0.195 |
| 8 |
14 |
|
[CIT]D:503 |
12 |
1 |
315 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
8803 |
184.0 |
1.5 |
0.544 |
6 |
0 |
0 |
0.119 |
15 |
|
[CIT]A:501 |
11 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
8784 |
179.2 |
0.2 |
0.486 |
8 |
0 |
0 |
0.119 |
| Average: |
181.6 |
0.9 |
0.515 |
7 |
0 |
0 |
0.119 |
| 9 |
16 |
|
D |
19 |
5 |
8803 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
22 |
7 |
8784 |
183.7 |
1.4 |
0.819 |
3 |
1 |
0 |
0.000 |
| 10 |
17 |
|
A |
15 |
5 |
8784 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
15 |
5 |
8784 |
164.2 |
1.8 |
0.866 |
0 |
6 |
0 |
0.000 |
| 11 |
18 |
|
B |
15 |
5 |
8952 |
◊ |
A |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
21 |
5 |
8784 |
145.4 |
0.6 |
0.752 |
1 |
2 |
0 |
0.000 |
| 12 |
19 |
|
[PO4]B:401 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
8952 |
110.4 |
-6.6 |
0.676 |
5 |
0 |
0 |
0.279 |
| 13 |
20 |
|
[CIT]D:503 |
7 |
1 |
315 |
◊ |
D |
x,-y,-z |
4_555 |
10 |
3 |
8803 |
80.9 |
-0.1 |
0.399 |
2 |
0 |
0 |
0.103 |
21 |
|
[CIT]A:501 |
7 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
8952 |
76.2 |
-0.4 |
0.408 |
2 |
0 |
0 |
0.103 |
| Average: |
78.5 |
-0.2 |
0.403 |
2 |
0 |
0 |
0.103 |
| 14 |
22 |
|
[CIT]C:502 |
7 |
1 |
310 |
◊ |
C |
x,-y,-z |
4_555 |
11 |
4 |
8792 |
71.4 |
0.9 |
0.509 |
2 |
0 |
0 |
0.000 |
| 15 |
23 |
|
A |
11 |
5 |
8784 |
◊ |
C |
x-1/2,y+1/2,z |
5_455 |
5 |
3 |
8792 |
69.1 |
0.8 |
0.808 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[PO4]B:401 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8784 |
52.2 |
-2.9 |
0.681 |
2 |
0 |
0 |
0.121 |
|