## |
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 |
171 |
48 |
19635 |
◊ |
C |
x,y,z |
1_555 |
175 |
49 |
19537 |
1745.1 |
-13.5 |
0.131 |
18 |
7 |
0 |
0.241 |
2 |
|
B |
156 |
45 |
19265 |
◊ |
A |
x,y,z |
1_555 |
156 |
45 |
19368 |
1598.1 |
-15.0 |
0.092 |
16 |
5 |
0 |
0.241 |
Average: |
1671.6 |
-14.2 |
0.112 |
17 |
6 |
0 |
0.241 |
2 |
3 |
|
D |
103 |
26 |
19635 |
◊ |
B |
x,y,z |
1_555 |
105 |
27 |
19265 |
1002.5 |
-12.0 |
0.073 |
9 |
0 |
0 |
0.000 |
4 |
|
C |
98 |
26 |
19537 |
◊ |
A |
x,y,z |
1_555 |
97 |
24 |
19368 |
960.5 |
-12.8 |
0.041 |
9 |
0 |
0 |
0.000 |
Average: |
981.5 |
-12.4 |
0.057 |
9 |
0 |
0 |
0.000 |
3 |
5 |
|
A |
58 |
19 |
19368 |
◊ |
B |
-y-1,x-y-1,z+1/3 |
2_445 |
58 |
19 |
19265 |
566.1 |
0.9 |
0.726 |
4 |
6 |
0 |
0.000 |
6 |
|
C |
42 |
13 |
19537 |
◊ |
D |
-y,x-y+1,z+1/3 |
2_565 |
40 |
15 |
19635 |
354.1 |
0.3 |
0.633 |
1 |
1 |
0 |
0.000 |
Average: |
460.1 |
0.6 |
0.679 |
3 |
4 |
0 |
0.000 |
4 |
7 |
|
A |
48 |
14 |
19368 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
41 |
15 |
19537 |
402.4 |
-6.4 |
0.093 |
0 |
0 |
0 |
0.000 |
8 |
|
D |
35 |
15 |
19635 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
46 |
12 |
19265 |
396.1 |
-6.8 |
0.070 |
0 |
0 |
0 |
0.000 |
9 |
|
C |
45 |
12 |
19537 |
◊ |
A |
-y-1,x-y,z+1/3 |
2_455 |
37 |
15 |
19368 |
376.3 |
-5.2 |
0.138 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
33 |
11 |
19265 |
◊ |
D |
-y,x-y,z+1/3 |
2_555 |
40 |
11 |
19635 |
369.5 |
-6.2 |
0.068 |
0 |
0 |
0 |
0.000 |
Average: |
386.1 |
-6.2 |
0.092 |
0 |
0 |
0 |
0.000 |
5 |
11 |
|
[AMP]B:501 |
23 |
1 |
500 |
f |
B |
x,y,z |
1_555 |
55 |
24 |
19265 |
330.6 |
-2.2 |
0.530 |
17 |
0 |
0 |
0.105 |
12 |
|
[AMP]D:501 |
23 |
1 |
500 |
f |
D |
x,y,z |
1_555 |
55 |
25 |
19635 |
329.1 |
-2.7 |
0.520 |
16 |
0 |
0 |
0.105 |
Average: |
329.8 |
-2.4 |
0.525 |
17 |
0 |
0 |
0.105 |
6 |
13 |
|
[AMP]A:501 |
23 |
1 |
492 |
f |
A |
x,y,z |
1_555 |
56 |
24 |
19368 |
328.5 |
-3.2 |
0.513 |
16 |
0 |
0 |
0.111 |
14 |
|
[AMP]C:501 |
23 |
1 |
491 |
f |
C |
x,y,z |
1_555 |
55 |
24 |
19537 |
325.9 |
-2.8 |
0.508 |
17 |
0 |
0 |
0.111 |
Average: |
327.2 |
-3.0 |
0.511 |
17 |
0 |
0 |
0.111 |
7 |
15 |
|
A |
38 |
11 |
19368 |
◊ |
D |
x,y-1,z |
1_545 |
33 |
9 |
19635 |
327.0 |
0.6 |
0.688 |
3 |
0 |
0 |
0.000 |
16 |
|
B |
36 |
13 |
19265 |
◊ |
C |
x,y-1,z |
1_545 |
32 |
11 |
19537 |
316.2 |
0.4 |
0.675 |
4 |
0 |
0 |
0.000 |
Average: |
321.6 |
0.5 |
0.682 |
4 |
0 |
0 |
0.000 |
8 |
17 |
|
A |
23 |
8 |
19368 |
◊ |
D |
-y,x-y,z+1/3 |
2_555 |
27 |
8 |
19635 |
218.6 |
3.4 |
0.899 |
3 |
4 |
0 |
0.000 |
18 |
|
C |
20 |
8 |
19537 |
◊ |
B |
-y-1,x-y,z+1/3 |
2_455 |
18 |
7 |
19265 |
167.8 |
4.0 |
0.945 |
2 |
3 |
0 |
0.000 |
Average: |
193.2 |
3.7 |
0.922 |
3 |
4 |
0 |
0.000 |
9 |
19 |
|
[G6P]B:502 |
16 |
1 |
375 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
19265 |
206.2 |
-4.2 |
0.456 |
9 |
0 |
0 |
0.044 |
10 |
20 |
|
[G6P]D:502 |
16 |
1 |
374 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
19635 |
203.8 |
-4.1 |
0.419 |
8 |
0 |
0 |
0.170 |
21 |
|
[G6P]C:502 |
16 |
1 |
376 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
19537 |
203.4 |
-4.7 |
0.448 |
8 |
0 |
0 |
0.170 |
22 |
|
[G6P]A:502 |
15 |
1 |
377 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
19368 |
199.6 |
-4.2 |
0.433 |
9 |
0 |
0 |
0.170 |
Average: |
202.3 |
-4.3 |
0.433 |
8 |
0 |
0 |
0.170 |
11 |
23 |
|
[K]B:505 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
19265 |
115.6 |
-94.9 |
0.000 |
0 |
0 |
0 |
0.508 |
12 |
24 |
|
[OXL]D:504 |
6 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
19 |
12 |
19635 |
114.6 |
1.8 |
0.461 |
4 |
0 |
0 |
0.000 |
13 |
25 |
|
[OXL]C:504 |
6 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
19 |
12 |
19537 |
114.4 |
1.6 |
0.458 |
4 |
0 |
0 |
0.001 |
14 |
26 |
|
[OXL]A:504 |
6 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
19368 |
111.5 |
1.8 |
0.464 |
4 |
0 |
0 |
0.000 |
27 |
|
[OXL]B:504 |
6 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
19265 |
104.0 |
1.7 |
0.469 |
4 |
0 |
0 |
0.000 |
Average: |
107.8 |
1.7 |
0.466 |
4 |
0 |
0 |
0.000 |
15 |
28 |
|
[PO4]D:505 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
19635 |
106.9 |
-5.4 |
0.882 |
7 |
0 |
0 |
0.091 |
16 |
29 |
|
[PO4]C:505 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
19537 |
101.1 |
-6.0 |
0.814 |
3 |
0 |
0 |
0.079 |
17 |
30 |
|
[MG]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
19537 |
43.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.129 |
31 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
19635 |
42.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.129 |
32 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19368 |
42.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.129 |
33 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
19265 |
38.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
41.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.129 |
18 |
34 |
|
[OXL]A:504 |
4 |
1 |
196 |
f |
[MG]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.042 |
35 |
|
[OXL]B:504 |
4 |
1 |
197 |
f |
[MG]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
32.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.042 |
19 |
36 |
|
[OXL]D:504 |
4 |
1 |
199 |
f |
[MG]D:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.040 |
20 |
37 |
|
[OXL]C:504 |
4 |
1 |
199 |
f |
[MG]C:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
38 |
|
[K]B:505 |
1 |
1 |
216 |
f |
[OXL]B:504 |
x,y,z |
1_555 |
2 |
1 |
197 |
15.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.046 |
22 |
39 |
|
[K]B:505 |
1 |
1 |
216 |
f |
[MG]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.030 |
|