## |
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 |
245 |
66 |
16570 |
◊ |
B |
-x-1,y,-z |
2_455 |
247 |
66 |
16570 |
2207.1 |
-21.4 |
0.024 |
32 |
2 |
0 |
0.083 |
2 |
|
A |
245 |
66 |
16654 |
◊ |
A |
-x,y,-z |
2_555 |
243 |
66 |
16654 |
2187.2 |
-19.6 |
0.037 |
32 |
2 |
0 |
0.083 |
Average: |
2197.1 |
-20.5 |
0.031 |
32 |
2 |
0 |
0.083 |
2 |
3 |
|
A |
80 |
22 |
16654 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
80 |
22 |
16570 |
760.1 |
0.4 |
0.654 |
8 |
8 |
0 |
0.011 |
3 |
4 |
|
B |
60 |
22 |
16570 |
◊ |
A |
x-1,y,z |
1_455 |
58 |
23 |
16654 |
574.7 |
-3.7 |
0.266 |
6 |
0 |
0 |
0.016 |
4 |
5 |
|
B |
43 |
14 |
16570 |
◊ |
A |
x,y,z |
1_555 |
42 |
16 |
16654 |
386.8 |
2.2 |
0.798 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
40 |
12 |
16654 |
◊ |
A |
-x,y,-z+1 |
2_556 |
39 |
12 |
16654 |
368.7 |
0.6 |
0.660 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
39 |
13 |
16570 |
◊ |
A |
-x,y,-z+1 |
2_556 |
43 |
14 |
16654 |
359.7 |
0.5 |
0.637 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
34 |
8 |
16570 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
33 |
8 |
16654 |
257.5 |
-0.5 |
0.529 |
1 |
2 |
0 |
0.003 |
8 |
9 |
|
[PO4]B:1474 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
16570 |
85.5 |
-7.8 |
0.105 |
7 |
0 |
0 |
0.055 |
10 |
|
[PO4]A:1474 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
16654 |
85.2 |
-7.7 |
0.085 |
6 |
0 |
0 |
0.055 |
Average: |
85.3 |
-7.7 |
0.095 |
7 |
0 |
0 |
0.055 |
9 |
11 |
|
[CL]B:1490 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
16570 |
77.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.048 |
10 |
12 |
|
B |
12 |
7 |
16570 |
◊ |
B |
-x-1,y,-z+1 |
2_456 |
14 |
7 |
16570 |
76.6 |
0.7 |
0.714 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[CL]A:1488 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
16654 |
70.3 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.045 |
12 |
14 |
|
[CL]B:1489 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
16570 |
65.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.042 |
15 |
|
[CL]A:1485 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16654 |
64.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
64.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.042 |
13 |
16 |
|
[NA]B:1483 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
10 |
4 |
16570 |
65.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.079 |
17 |
|
[NA]A:1482 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
11 |
5 |
16654 |
64.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
64.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.079 |
14 |
18 |
|
[CL]A:1483 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16654 |
63.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.064 |
19 |
|
[CL]B:1484 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
16570 |
63.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
63.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.064 |
15 |
20 |
|
[CL]B:1488 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
16570 |
63.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.042 |
21 |
|
[CL]A:1484 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16654 |
56.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
59.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.042 |
16 |
22 |
|
[CL]B:1487 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16570 |
57.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.038 |
17 |
23 |
|
[CL]A:1486 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16654 |
57.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.041 |
24 |
|
[CL]B:1485 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16570 |
56.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
57.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.041 |
18 |
25 |
|
[CL]B:1486 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
16570 |
57.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.041 |
26 |
|
[CL]A:1487 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16654 |
54.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
56.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.041 |
19 |
27 |
|
[CL]A:1484 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
2 |
16654 |
43.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[MG]B:1477 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
16570 |
43.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.043 |
29 |
|
[MG]A:1477 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16654 |
42.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
43.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.043 |
21 |
30 |
|
[MG]B:1478 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
16570 |
43.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
31 |
|
[MG]B:1479 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16570 |
41.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.027 |
32 |
|
[MG]A:1479 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16654 |
41.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
41.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.027 |
23 |
33 |
|
B |
5 |
1 |
16570 |
◊ |
A |
-x,y,-z |
2_555 |
5 |
1 |
16654 |
41.1 |
0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
4 |
1 |
16570 |
◊ |
A |
-x-1,y,-z |
2_455 |
4 |
1 |
16654 |
37.5 |
0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
Average: |
39.3 |
0.2 |
0.398 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[MG]B:1482 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16570 |
40.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.037 |
36 |
|
[MG]A:1481 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16654 |
39.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
40.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.037 |
25 |
37 |
|
[MG]A:1478 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
16654 |
39.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.025 |
26 |
38 |
|
[CL]B:1487 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
16654 |
38.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.011 |
27 |
39 |
|
[MG]B:1481 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16570 |
36.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.019 |
28 |
40 |
|
[CL]A:1486 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z |
2_555 |
7 |
3 |
16654 |
34.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.020 |
41 |
|
[CL]B:1485 |
1 |
1 |
125 |
◊ |
B |
-x-1,y,-z |
2_455 |
7 |
3 |
16570 |
34.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
34.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.020 |
29 |
42 |
|
[ZN]A:1476 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
16654 |
33.4 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.133 |
43 |
|
[ZN]B:1476 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
16570 |
33.2 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
33.3 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.133 |
30 |
44 |
|
[MG]A:1480 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
16654 |
33.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.019 |
45 |
|
[MG]B:1480 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
16570 |
33.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
33.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.019 |
31 |
46 |
|
[ZN]A:1475 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16654 |
32.9 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.119 |
47 |
|
[ZN]B:1475 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
16570 |
32.6 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
32.7 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.119 |
32 |
48 |
|
[MG]B:1481 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16654 |
32.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
[MG]A:1479 |
1 |
1 |
98 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
5 |
3 |
16570 |
31.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.016 |
50 |
|
A |
5 |
3 |
16654 |
◊ |
[MG]B:1479 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
98 |
30.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
30.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.016 |
34 |
51 |
|
[CL]A:1485 |
1 |
1 |
125 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
3 |
16570 |
30.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.019 |
52 |
|
A |
9 |
3 |
16654 |
◊ |
[CL]B:1489 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
125 |
29.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
30.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.019 |
35 |
53 |
|
[MG]A:1480 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
1 |
16654 |
30.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
54 |
|
[MG]B:1480 |
1 |
1 |
98 |
◊ |
B |
-x-1,y,-z |
2_455 |
4 |
1 |
16570 |
29.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
29.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
36 |
55 |
|
[MG]A:1478 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16570 |
29.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
[CL]B:1486 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
16654 |
26.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
57 |
|
B |
6 |
2 |
16570 |
◊ |
[CL]A:1487 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
26.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
26.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
38 |
58 |
|
[ZN]B:1475 |
1 |
1 |
98 |
f |
[PO4]B:1474 |
x,y,z |
1_555 |
3 |
1 |
188 |
24.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.061 |
59 |
|
[ZN]A:1475 |
1 |
1 |
98 |
f |
[PO4]A:1474 |
x,y,z |
1_555 |
3 |
1 |
188 |
24.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
24.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.061 |
39 |
60 |
|
[ZN]A:1476 |
1 |
1 |
98 |
f |
[PO4]A:1474 |
x,y,z |
1_555 |
3 |
1 |
188 |
22.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.050 |
61 |
|
[ZN]B:1476 |
1 |
1 |
98 |
f |
[PO4]B:1474 |
x,y,z |
1_555 |
3 |
1 |
188 |
22.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
22.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.050 |
40 |
62 |
|
[CL]B:1486 |
1 |
1 |
125 |
f |
[MG]B:1482 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.019 |
41 |
63 |
|
[CL]A:1487 |
1 |
1 |
125 |
f |
[MG]A:1481 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.020 |
42 |
64 |
|
B |
4 |
2 |
16570 |
◊ |
[MG]A:1480 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
98 |
16.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.007 |
65 |
|
[MG]B:1480 |
1 |
1 |
98 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
16654 |
16.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
43 |
66 |
|
[MG]B:1481 |
1 |
1 |
98 |
◊ |
[MG]A:1478 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
67 |
|
[PO4]A:1474 |
3 |
1 |
188 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
16654 |
13.1 |
-0.5 |
0.819 |
0 |
0 |
0 |
0.002 |
68 |
|
[PO4]B:1474 |
3 |
1 |
188 |
◊ |
B |
-x-1,y,-z |
2_455 |
2 |
1 |
16570 |
13.1 |
-0.5 |
0.815 |
0 |
0 |
0 |
0.002 |
Average: |
13.1 |
-0.5 |
0.817 |
0 |
0 |
0 |
0.002 |
45 |
69 |
|
[MG]B:1479 |
1 |
1 |
98 |
◊ |
B |
-x-1,y,-z |
2_455 |
2 |
2 |
16570 |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
70 |
|
[MG]A:1479 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
16654 |
11.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
11.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
46 |
71 |
|
[ZN]B:1475 |
1 |
1 |
98 |
◊ |
B |
-x-1,y,-z |
2_455 |
1 |
1 |
16570 |
10.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.014 |
72 |
|
[ZN]A:1475 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
16654 |
9.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
9.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
47 |
73 |
|
[MG]B:1477 |
1 |
1 |
98 |
f |
[PO4]B:1474 |
x,y,z |
1_555 |
3 |
1 |
188 |
9.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
74 |
|
[MG]A:1477 |
1 |
1 |
98 |
f |
[PO4]A:1474 |
x,y,z |
1_555 |
3 |
1 |
188 |
9.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
9.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
48 |
75 |
|
[ZN]A:1476 |
1 |
1 |
98 |
f |
[ZN]A:1475 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.030 |
49 |
76 |
|
[ZN]B:1476 |
1 |
1 |
98 |
f |
[ZN]B:1475 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.027 |
50 |
77 |
|
[MG]B:1477 |
1 |
1 |
98 |
f |
[ZN]B:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.011 |
51 |
78 |
|
[MG]A:1477 |
1 |
1 |
98 |
f |
[ZN]A:1476 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.012 |
52 |
79 |
|
B |
1 |
1 |
16570 |
◊ |
[MG]A:1481 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
3.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
80 |
|
[MG]B:1482 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
16654 |
3.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
3.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|