## |
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 |
|
L |
429 |
106 |
21898 |
◊ |
A |
x,y,z |
1_555 |
430 |
108 |
21780 |
4180.1 |
-37.4 |
0.117 |
69 |
43 |
0 |
0.258 |
2 |
2 |
|
G |
250 |
65 |
9065 |
◊ |
A |
x,y,z |
1_555 |
280 |
75 |
21780 |
2676.7 |
-28.3 |
0.096 |
38 |
23 |
0 |
0.316 |
3 |
|
M |
248 |
64 |
8993 |
◊ |
L |
x,y,z |
1_555 |
283 |
72 |
21898 |
2658.4 |
-26.6 |
0.100 |
45 |
20 |
0 |
0.316 |
Average: |
2667.6 |
-27.5 |
0.098 |
42 |
22 |
0 |
0.316 |
3 |
4 |
|
E |
147 |
40 |
8588 |
◊ |
L |
x,y,z |
1_555 |
149 |
48 |
21898 |
1472.2 |
-13.0 |
0.240 |
22 |
2 |
0 |
0.177 |
5 |
|
B |
128 |
37 |
8599 |
◊ |
A |
x,y,z |
1_555 |
144 |
45 |
21780 |
1277.0 |
-8.9 |
0.342 |
20 |
2 |
0 |
0.177 |
Average: |
1374.6 |
-10.9 |
0.291 |
21 |
2 |
0 |
0.177 |
4 |
6 |
|
B |
66 |
20 |
8599 |
◊ |
M |
-x+5/2,-y,z-1/2 |
2_754 |
75 |
24 |
8993 |
595.4 |
4.0 |
0.881 |
11 |
4 |
0 |
0.000 |
5 |
7 |
|
[CNC]B:2601 |
46 |
1 |
1221 |
◊ |
B |
x,y,z |
1_555 |
67 |
24 |
8599 |
549.9 |
-4.8 |
0.581 |
10 |
0 |
0 |
1.000 |
8 |
|
[CNC]E:3601 |
44 |
1 |
1223 |
◊ |
E |
x,y,z |
1_555 |
67 |
24 |
8588 |
533.6 |
-3.5 |
0.624 |
10 |
0 |
0 |
1.000 |
Average: |
541.7 |
-4.1 |
0.602 |
10 |
0 |
0 |
1.000 |
6 |
9 |
|
[CNC]E:3601 |
47 |
1 |
1223 |
◊ |
L |
x,y,z |
1_555 |
64 |
23 |
21898 |
531.7 |
-7.5 |
0.347 |
7 |
0 |
0 |
0.091 |
10 |
|
[CNC]B:2601 |
44 |
1 |
1221 |
◊ |
A |
x,y,z |
1_555 |
63 |
23 |
21780 |
485.4 |
-6.3 |
0.426 |
8 |
0 |
0 |
0.091 |
Average: |
508.6 |
-6.9 |
0.387 |
8 |
0 |
0 |
0.091 |
7 |
11 |
|
A |
24 |
8 |
21780 |
x |
A |
-x+2,y-1/2,-z+3/2 |
3_746 |
18 |
5 |
21780 |
182.6 |
-1.2 |
0.469 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
20 |
7 |
8599 |
◊ |
G |
-x+2,y-1/2,-z+3/2 |
3_746 |
18 |
6 |
9065 |
173.0 |
4.4 |
0.947 |
2 |
3 |
0 |
0.000 |
9 |
13 |
|
M |
18 |
6 |
8993 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
8588 |
162.6 |
-0.4 |
0.416 |
1 |
0 |
0 |
0.006 |
14 |
|
G |
18 |
5 |
9065 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
8599 |
156.6 |
-0.6 |
0.298 |
1 |
0 |
0 |
0.006 |
Average: |
159.6 |
-0.5 |
0.357 |
1 |
0 |
0 |
0.006 |
10 |
15 |
|
[PGO]A:2602 |
5 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
21780 |
94.6 |
2.8 |
0.310 |
7 |
0 |
0 |
0.004 |
16 |
|
[PGO]L:3602 |
5 |
1 |
210 |
f |
L |
x,y,z |
1_555 |
16 |
10 |
21898 |
92.9 |
2.7 |
0.305 |
7 |
0 |
0 |
0.004 |
Average: |
93.8 |
2.7 |
0.308 |
7 |
0 |
0 |
0.004 |
11 |
17 |
|
[K]L:3603 |
1 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
11 |
7 |
21898 |
89.9 |
-85.5 |
0.000 |
0 |
0 |
0 |
0.734 |
18 |
|
[K]A:2603 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
21780 |
89.5 |
-83.9 |
0.000 |
0 |
0 |
0 |
0.734 |
Average: |
89.7 |
-84.7 |
0.000 |
0 |
0 |
0 |
0.734 |
12 |
19 |
|
L |
13 |
5 |
21898 |
x |
L |
x-1/2,-y+1/2,-z+2 |
4_457 |
9 |
6 |
21898 |
88.5 |
-1.3 |
0.333 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
B |
5 |
2 |
8599 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
21898 |
70.9 |
-0.6 |
0.404 |
1 |
0 |
0 |
0.005 |
21 |
|
E |
5 |
2 |
8588 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
21780 |
64.3 |
-0.3 |
0.563 |
1 |
0 |
0 |
0.005 |
Average: |
67.6 |
-0.4 |
0.483 |
1 |
0 |
0 |
0.005 |
14 |
22 |
|
L |
5 |
2 |
21898 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
7 |
3 |
21780 |
69.0 |
-1.2 |
0.260 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[NH4]L:3604 |
1 |
1 |
117 |
f |
L |
x,y,z |
1_555 |
13 |
9 |
21898 |
62.1 |
1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH4]A:2604 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
21780 |
61.3 |
1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
61.7 |
1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[PGO]A:2602 |
4 |
1 |
211 |
f |
[K]A:2603 |
x,y,z |
1_555 |
1 |
1 |
216 |
50.7 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.205 |
26 |
|
[PGO]L:3602 |
4 |
1 |
210 |
f |
[K]L:3603 |
x,y,z |
1_555 |
1 |
1 |
216 |
48.5 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.205 |
Average: |
49.6 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.205 |
17 |
27 |
|
G |
9 |
2 |
9065 |
◊ |
E |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
2 |
8588 |
49.8 |
-0.8 |
0.348 |
0 |
0 |
0 |
0.002 |
18 |
28 |
|
[NH4]A:2605 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21780 |
49.7 |
1.1 |
0.812 |
0 |
0 |
0 |
0.000 |
29 |
|
[NH4]L:3605 |
1 |
1 |
117 |
◊ |
L |
x,y,z |
1_555 |
4 |
3 |
21898 |
49.3 |
1.1 |
0.812 |
0 |
0 |
0 |
0.000 |
Average: |
49.5 |
1.1 |
0.812 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
G |
4 |
2 |
9065 |
◊ |
M |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
2 |
8993 |
37.5 |
1.3 |
0.885 |
1 |
0 |
0 |
0.000 |
20 |
31 |
|
L |
7 |
4 |
21898 |
◊ |
M |
x-1/2,-y+1/2,-z+2 |
4_457 |
5 |
2 |
8993 |
34.8 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
A |
6 |
4 |
21780 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
8599 |
31.3 |
-0.4 |
0.493 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[CNC]E:3601 |
3 |
1 |
1223 |
f |
[NH4]L:3605 |
x,y,z |
1_555 |
1 |
1 |
117 |
24.5 |
0.5 |
0.899 |
0 |
0 |
0 |
0.000 |
34 |
|
[CNC]B:2601 |
1 |
1 |
1221 |
f |
[NH4]A:2605 |
x,y,z |
1_555 |
1 |
1 |
117 |
24.4 |
0.6 |
0.944 |
0 |
0 |
0 |
0.000 |
Average: |
24.5 |
0.5 |
0.922 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
A |
3 |
3 |
21780 |
◊ |
M |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
3 |
8993 |
21.1 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
B |
2 |
1 |
8599 |
◊ |
L |
-x+5/2,-y,z-1/2 |
2_754 |
2 |
1 |
21898 |
18.6 |
0.4 |
0.486 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[CNC]E:3601 |
4 |
1 |
1223 |
◊ |
[PGO]L:3602 |
x,y,z |
1_555 |
2 |
1 |
210 |
12.5 |
-0.2 |
0.642 |
0 |
0 |
0 |
0.001 |
26 |
38 |
|
E |
2 |
1 |
8588 |
◊ |
A |
x-1/2,-y-1/2,-z+2 |
4_447 |
2 |
1 |
21780 |
9.0 |
0.5 |
0.841 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[CNC]B:2601 |
1 |
1 |
1221 |
◊ |
[PGO]A:2602 |
x,y,z |
1_555 |
1 |
1 |
211 |
4.1 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
E |
1 |
1 |
8588 |
◊ |
L |
x-1/2,-y-1/2,-z+2 |
4_447 |
1 |
1 |
21898 |
0.9 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
|