| ## |
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 |
|
A |
130 |
33 |
10671 |
◊ |
A |
-x+1,y,-z |
2_655 |
130 |
33 |
10671 |
1238.4 |
-17.1 |
0.035 |
16 |
2 |
0 |
0.125 |
2 |
|
C |
111 |
31 |
10259 |
◊ |
B |
x,y,z |
1_555 |
112 |
32 |
10608 |
1068.8 |
-16.9 |
0.027 |
13 |
0 |
0 |
0.125 |
| Average: |
1153.6 |
-17.0 |
0.031 |
15 |
1 |
0 |
0.125 |
| 2 |
3 |
|
C |
97 |
27 |
10259 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
96 |
27 |
10259 |
813.4 |
-5.6 |
0.339 |
10 |
0 |
0 |
0.036 |
| 3 |
4 |
|
[ACO]A:185 |
47 |
1 |
985 |
f |
A |
x,y,z |
1_555 |
97 |
28 |
10671 |
640.0 |
-4.3 |
0.415 |
12 |
0 |
0 |
0.094 |
5 |
|
[ACO]C:185 |
48 |
1 |
978 |
f |
C |
x,y,z |
1_555 |
93 |
27 |
10259 |
633.5 |
-2.9 |
0.441 |
13 |
0 |
0 |
0.094 |
6 |
|
[ACO]B:185 |
47 |
1 |
982 |
f |
B |
x,y,z |
1_555 |
88 |
28 |
10608 |
626.4 |
-3.0 |
0.507 |
12 |
0 |
0 |
0.094 |
| Average: |
633.3 |
-3.4 |
0.454 |
12 |
0 |
0 |
0.094 |
| 4 |
7 |
|
A |
47 |
13 |
10671 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
58 |
16 |
10671 |
487.4 |
-3.2 |
0.391 |
3 |
0 |
0 |
0.000 |
8 |
|
C |
26 |
7 |
10259 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
34 |
9 |
10259 |
266.4 |
0.3 |
0.581 |
2 |
0 |
0 |
0.000 |
| Average: |
376.9 |
-1.5 |
0.486 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
B |
51 |
15 |
10608 |
◊ |
A |
x-1,y,z |
1_455 |
46 |
13 |
10671 |
443.2 |
-9.8 |
0.036 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
45 |
14 |
10608 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
49 |
16 |
10671 |
422.9 |
2.2 |
0.819 |
7 |
8 |
0 |
0.000 |
| 7 |
11 |
|
A |
35 |
11 |
10671 |
◊ |
A |
-x+2,y,-z |
2_755 |
35 |
11 |
10671 |
331.1 |
-3.6 |
0.273 |
4 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
26 |
6 |
10608 |
◊ |
C |
x-1,y,z |
1_455 |
37 |
10 |
10259 |
301.9 |
0.1 |
0.660 |
3 |
0 |
0 |
0.000 |
| 9 |
13 |
|
B |
32 |
11 |
10608 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
29 |
8 |
10259 |
252.9 |
0.4 |
0.697 |
3 |
4 |
0 |
0.000 |
14 |
|
A |
24 |
9 |
10671 |
x |
A |
-x+3/2,y-1/2,-z |
4_645 |
28 |
9 |
10671 |
240.8 |
0.3 |
0.659 |
2 |
1 |
0 |
0.000 |
| Average: |
246.8 |
0.3 |
0.678 |
3 |
3 |
0 |
0.000 |
| 10 |
15 |
|
A |
24 |
6 |
10671 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
25 |
10 |
10671 |
249.2 |
1.3 |
0.755 |
7 |
0 |
0 |
0.000 |
| 11 |
16 |
|
C |
15 |
8 |
10259 |
x |
C |
x-1,y,z |
1_455 |
18 |
6 |
10259 |
184.4 |
2.5 |
0.871 |
3 |
5 |
0 |
0.000 |
| 12 |
17 |
|
B |
17 |
6 |
10608 |
x |
B |
x-1/2,y+1/2,z |
3_455 |
15 |
7 |
10608 |
148.3 |
1.1 |
0.785 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
C |
16 |
5 |
10259 |
◊ |
C |
-x+2,y,-z+1 |
2_756 |
16 |
5 |
10259 |
124.6 |
-1.6 |
0.342 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[K]A:187 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
10671 |
117.2 |
-88.0 |
0.000 |
0 |
0 |
0 |
0.628 |
20 |
|
[K]C:188 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
10259 |
116.5 |
-87.3 |
0.000 |
0 |
0 |
0 |
0.628 |
| Average: |
116.8 |
-87.6 |
0.000 |
0 |
0 |
0 |
0.628 |
| 15 |
21 |
|
[PO4]C:187 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
10259 |
101.9 |
-5.3 |
0.885 |
4 |
0 |
0 |
0.050 |
| 16 |
22 |
|
[PO4]B:187 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
10608 |
99.2 |
-5.4 |
0.877 |
3 |
0 |
0 |
0.037 |
| 17 |
23 |
|
[PO4]C:186 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10259 |
94.8 |
-6.0 |
0.669 |
3 |
0 |
0 |
0.052 |
| 18 |
24 |
|
[PO4]A:186 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
10671 |
93.3 |
-5.8 |
0.680 |
3 |
0 |
0 |
0.051 |
| 19 |
25 |
|
[ACO]C:185 |
12 |
1 |
978 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
9 |
3 |
10259 |
92.7 |
-1.5 |
0.502 |
1 |
0 |
0 |
0.014 |
| 20 |
26 |
|
B |
13 |
4 |
10608 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
10671 |
91.9 |
1.5 |
0.824 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[PO4]B:186 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
10608 |
91.5 |
-5.6 |
0.718 |
3 |
0 |
0 |
0.039 |
| 22 |
28 |
|
B |
13 |
3 |
10608 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
9 |
3 |
10608 |
75.6 |
-0.2 |
0.591 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
C |
11 |
3 |
10259 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
10608 |
62.6 |
-1.2 |
0.085 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[ACO]C:185 |
5 |
1 |
978 |
◊ |
[ACO]C:185 |
-x+1,y,-z+1 |
2_656 |
6 |
1 |
978 |
61.3 |
-3.1 |
0.262 |
0 |
0 |
0 |
0.011 |
| 25 |
31 |
|
[K]C:188 |
1 |
1 |
216 |
f |
[ACO]C:185 |
x,y,z |
1_555 |
5 |
1 |
978 |
45.0 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.156 |
32 |
|
[K]A:187 |
1 |
1 |
216 |
f |
[ACO]A:185 |
x,y,z |
1_555 |
4 |
1 |
985 |
43.8 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.156 |
| Average: |
44.4 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.156 |
| 26 |
33 |
|
B |
5 |
2 |
10608 |
◊ |
[ACO]A:185 |
x-1,y,z |
1_455 |
8 |
1 |
985 |
36.9 |
1.0 |
0.727 |
0 |
0 |
0 |
0.000 |
34 |
|
[ACO]B:185 |
1 |
1 |
982 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
10671 |
5.9 |
-0.3 |
0.398 |
0 |
0 |
0 |
0.000 |
| Average: |
21.4 |
0.4 |
0.563 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[PO4]A:186 |
4 |
1 |
188 |
◊ |
A |
-x+1,y,-z |
2_655 |
4 |
2 |
10671 |
31.3 |
-1.7 |
0.590 |
0 |
0 |
0 |
0.012 |
| 28 |
36 |
|
C |
6 |
3 |
10259 |
x |
C |
x-1/2,y-1/2,z |
3_445 |
6 |
3 |
10259 |
30.6 |
-0.5 |
0.432 |
0 |
0 |
0 |
0.000 |
| 29 |
37 |
|
[PO4]B:186 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
10259 |
25.0 |
-1.3 |
0.604 |
0 |
0 |
0 |
0.007 |
| 30 |
38 |
|
[PO4]C:186 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
10608 |
22.8 |
-1.2 |
0.623 |
0 |
0 |
0 |
0.007 |
| 31 |
39 |
|
[PO4]C:186 |
4 |
1 |
189 |
◊ |
[PO4]B:186 |
x,y,z |
1_555 |
4 |
1 |
188 |
19.8 |
-1.6 |
0.998 |
0 |
0 |
0 |
0.009 |
| 32 |
40 |
|
[PO4]A:186 |
4 |
1 |
188 |
◊ |
[PO4]A:186 |
-x+1,y,-z |
2_655 |
4 |
1 |
188 |
18.9 |
-1.5 |
0.998 |
0 |
0 |
0 |
0.005 |
|