## |
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 |
|
G |
117 |
31 |
15631 |
◊ |
B |
x,y,z |
1_555 |
119 |
29 |
15979 |
1081.2 |
1.8 |
0.780 |
18 |
16 |
0 |
0.000 |
2 |
|
H |
116 |
31 |
15630 |
◊ |
A |
x,y,z |
1_555 |
120 |
30 |
15778 |
1071.8 |
1.9 |
0.795 |
18 |
15 |
0 |
0.000 |
3 |
|
F |
101 |
27 |
15388 |
◊ |
E |
x,y,z |
1_555 |
98 |
26 |
15109 |
914.8 |
-0.4 |
0.664 |
13 |
18 |
0 |
0.000 |
4 |
|
D |
95 |
26 |
15257 |
◊ |
C |
x,y,z |
1_555 |
99 |
25 |
15291 |
903.9 |
-0.5 |
0.656 |
13 |
16 |
0 |
0.000 |
Average: |
992.9 |
0.7 |
0.724 |
16 |
16 |
0 |
0.000 |
2 |
5 |
|
D |
64 |
19 |
15257 |
◊ |
D |
x,-y,-z |
4_555 |
64 |
19 |
15257 |
621.9 |
0.9 |
0.720 |
4 |
6 |
0 |
0.000 |
3 |
6 |
|
C |
61 |
19 |
15291 |
◊ |
A |
x,y,z |
1_555 |
60 |
18 |
15778 |
556.2 |
-1.8 |
0.531 |
8 |
4 |
0 |
0.000 |
7 |
|
E |
61 |
17 |
15109 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
53 |
17 |
15979 |
553.6 |
-0.6 |
0.609 |
10 |
4 |
0 |
0.000 |
8 |
|
H |
57 |
18 |
15630 |
◊ |
D |
x,y,z |
1_555 |
55 |
17 |
15257 |
542.2 |
0.8 |
0.693 |
10 |
6 |
0 |
0.000 |
9 |
|
F |
56 |
17 |
15388 |
◊ |
G |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
57 |
18 |
15631 |
541.8 |
1.6 |
0.755 |
9 |
7 |
0 |
0.000 |
Average: |
548.4 |
0.0 |
0.647 |
9 |
5 |
0 |
0.000 |
4 |
10 |
|
H |
57 |
21 |
15630 |
◊ |
G |
x,y,z |
1_555 |
61 |
22 |
15631 |
553.1 |
-9.1 |
0.063 |
3 |
0 |
0 |
0.000 |
5 |
11 |
|
G |
58 |
20 |
15631 |
◊ |
D |
x,y,z |
1_555 |
58 |
21 |
15257 |
546.3 |
-2.6 |
0.444 |
3 |
0 |
0 |
0.000 |
12 |
|
F |
58 |
20 |
15388 |
◊ |
H |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
56 |
20 |
15630 |
543.0 |
-2.6 |
0.438 |
2 |
0 |
0 |
0.000 |
13 |
|
G |
48 |
18 |
15631 |
◊ |
F |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
53 |
17 |
15388 |
482.0 |
-1.1 |
0.548 |
5 |
0 |
0 |
0.000 |
Average: |
523.8 |
-2.1 |
0.477 |
3 |
0 |
0 |
0.000 |
6 |
14 |
|
[Z72]B:1000 |
28 |
1 |
598 |
f |
B |
x,y,z |
1_555 |
61 |
24 |
15979 |
425.4 |
-7.5 |
0.301 |
2 |
0 |
0 |
0.015 |
15 |
|
[Z72]E:1000 |
28 |
1 |
601 |
f |
E |
x,y,z |
1_555 |
62 |
25 |
15109 |
424.9 |
-7.3 |
0.317 |
2 |
0 |
0 |
0.015 |
16 |
|
[Z72]F:1000 |
28 |
1 |
599 |
f |
F |
x,y,z |
1_555 |
63 |
25 |
15388 |
424.6 |
-7.6 |
0.295 |
2 |
0 |
0 |
0.015 |
17 |
|
[Z72]A:1000 |
28 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
63 |
24 |
15778 |
423.2 |
-7.7 |
0.323 |
2 |
0 |
0 |
0.015 |
18 |
|
[Z72]D:1000 |
28 |
1 |
597 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
15257 |
423.2 |
-7.5 |
0.299 |
2 |
0 |
0 |
0.015 |
19 |
|
[Z72]C:1000 |
28 |
1 |
598 |
f |
C |
x,y,z |
1_555 |
62 |
24 |
15291 |
420.8 |
-7.4 |
0.325 |
2 |
0 |
0 |
0.015 |
20 |
|
[Z72]H:1000 |
28 |
1 |
594 |
f |
H |
x,y,z |
1_555 |
63 |
26 |
15630 |
415.3 |
-7.2 |
0.346 |
2 |
0 |
0 |
0.015 |
21 |
|
[Z72]G:1000 |
28 |
1 |
593 |
f |
G |
x,y,z |
1_555 |
63 |
25 |
15631 |
413.8 |
-7.2 |
0.351 |
2 |
0 |
0 |
0.015 |
Average: |
421.4 |
-7.4 |
0.320 |
2 |
0 |
0 |
0.015 |
7 |
22 |
|
F |
42 |
12 |
15388 |
◊ |
A |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
40 |
12 |
15778 |
389.7 |
-2.6 |
0.393 |
9 |
5 |
0 |
0.000 |
23 |
|
D |
42 |
12 |
15257 |
◊ |
B |
x,y,z |
1_555 |
37 |
13 |
15979 |
385.5 |
-2.6 |
0.378 |
8 |
4 |
0 |
0.000 |
Average: |
387.6 |
-2.6 |
0.385 |
9 |
5 |
0 |
0.000 |
8 |
24 |
|
B |
40 |
13 |
15979 |
◊ |
A |
x,y,z |
1_555 |
41 |
13 |
15778 |
378.2 |
-4.0 |
0.260 |
2 |
0 |
0 |
0.000 |
9 |
25 |
|
E |
44 |
15 |
15109 |
◊ |
C |
x,y,z |
1_555 |
41 |
15 |
15291 |
374.4 |
-3.3 |
0.311 |
2 |
4 |
0 |
0.000 |
10 |
26 |
|
A |
39 |
18 |
15778 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
39 |
18 |
15778 |
321.9 |
-2.7 |
0.382 |
3 |
0 |
0 |
0.000 |
11 |
27 |
|
H |
28 |
8 |
15630 |
◊ |
C |
x,y,z |
1_555 |
22 |
6 |
15291 |
222.5 |
0.7 |
0.676 |
3 |
4 |
0 |
0.000 |
28 |
|
E |
22 |
6 |
15109 |
◊ |
G |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
25 |
8 |
15631 |
210.6 |
1.6 |
0.778 |
6 |
5 |
0 |
0.000 |
Average: |
216.5 |
1.2 |
0.727 |
5 |
5 |
0 |
0.000 |
12 |
29 |
|
C |
21 |
6 |
15291 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
22 |
6 |
15979 |
206.1 |
-2.8 |
0.185 |
0 |
0 |
0 |
0.000 |
30 |
|
E |
16 |
4 |
15109 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15778 |
139.3 |
-1.6 |
0.232 |
1 |
0 |
0 |
0.000 |
Average: |
172.7 |
-2.2 |
0.208 |
1 |
0 |
0 |
0.000 |
13 |
31 |
|
H |
19 |
8 |
15630 |
◊ |
D |
x,-y,-z |
4_555 |
22 |
9 |
15257 |
164.6 |
-0.3 |
0.543 |
1 |
0 |
0 |
0.000 |
14 |
32 |
|
B |
15 |
7 |
15979 |
◊ |
B |
-x-1,y,-z+1/2 |
3_455 |
15 |
7 |
15979 |
142.0 |
-0.4 |
0.535 |
2 |
0 |
0 |
0.000 |
15 |
33 |
|
F |
15 |
7 |
15388 |
◊ |
F |
x,-y+1,-z |
4_565 |
15 |
7 |
15388 |
127.6 |
-0.6 |
0.506 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
F |
10 |
4 |
15388 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
12 |
4 |
15979 |
95.1 |
1.9 |
0.862 |
2 |
3 |
0 |
0.000 |
35 |
|
D |
10 |
4 |
15257 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15778 |
93.1 |
2.4 |
0.895 |
1 |
4 |
0 |
0.000 |
Average: |
94.1 |
2.1 |
0.878 |
2 |
4 |
0 |
0.000 |
17 |
36 |
|
[SO4]B:1003 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
15979 |
93.1 |
-14.5 |
0.655 |
3 |
0 |
0 |
0.021 |
18 |
37 |
|
[SO4]A:1003 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
15778 |
90.2 |
-14.0 |
0.685 |
3 |
0 |
0 |
0.021 |
19 |
38 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15778 |
51.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.012 |
39 |
|
[MG]H:1002 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
14 |
8 |
15630 |
50.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
|
[MG]C:1002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
15291 |
50.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.012 |
41 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
15979 |
50.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
|
[MG]G:1002 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
15631 |
50.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.012 |
43 |
|
[MG]D:1002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
15257 |
50.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.012 |
44 |
|
[MG]F:1002 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
15388 |
50.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
|
[MG]E:1002 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
15109 |
50.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
50.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.012 |
20 |
46 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15979 |
41.0 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.053 |
47 |
|
[ZN]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
15291 |
40.6 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.053 |
48 |
|
[ZN]H:1001 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
15630 |
40.5 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.053 |
49 |
|
[ZN]D:1001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
15257 |
40.5 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.053 |
50 |
|
[ZN]G:1001 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
15631 |
40.3 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.053 |
51 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15778 |
40.2 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.053 |
52 |
|
[ZN]F:1001 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
15388 |
40.1 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.053 |
53 |
|
[ZN]E:1001 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
15109 |
40.1 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
40.4 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.053 |
21 |
54 |
|
[MG]F:1002 |
1 |
1 |
98 |
f |
[Z72]F:1000 |
x,y,z |
1_555 |
3 |
1 |
599 |
19.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
55 |
|
[MG]E:1002 |
1 |
1 |
98 |
f |
[Z72]E:1000 |
x,y,z |
1_555 |
3 |
1 |
601 |
19.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
56 |
|
[MG]G:1002 |
1 |
1 |
98 |
f |
[Z72]G:1000 |
x,y,z |
1_555 |
3 |
1 |
593 |
19.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
|
[MG]H:1002 |
1 |
1 |
98 |
f |
[Z72]H:1000 |
x,y,z |
1_555 |
3 |
1 |
594 |
19.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
58 |
|
[MG]C:1002 |
1 |
1 |
98 |
f |
[Z72]C:1000 |
x,y,z |
1_555 |
3 |
1 |
598 |
18.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
59 |
|
[MG]D:1002 |
1 |
1 |
98 |
f |
[Z72]D:1000 |
x,y,z |
1_555 |
3 |
1 |
597 |
18.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
60 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[Z72]B:1000 |
x,y,z |
1_555 |
3 |
1 |
598 |
18.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
61 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[Z72]A:1000 |
x,y,z |
1_555 |
3 |
1 |
602 |
17.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
18.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.002 |
22 |
62 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
[Z72]A:1000 |
x,y,z |
1_555 |
5 |
1 |
602 |
14.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.010 |
63 |
|
[ZN]H:1001 |
1 |
1 |
98 |
f |
[Z72]H:1000 |
x,y,z |
1_555 |
4 |
1 |
594 |
14.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.010 |
64 |
|
[ZN]C:1001 |
1 |
1 |
98 |
f |
[Z72]C:1000 |
x,y,z |
1_555 |
6 |
1 |
598 |
14.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.010 |
65 |
|
[ZN]G:1001 |
1 |
1 |
98 |
f |
[Z72]G:1000 |
x,y,z |
1_555 |
4 |
1 |
593 |
14.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.010 |
66 |
|
[ZN]E:1001 |
1 |
1 |
98 |
f |
[Z72]E:1000 |
x,y,z |
1_555 |
6 |
1 |
601 |
13.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.010 |
67 |
|
[ZN]F:1001 |
1 |
1 |
98 |
f |
[Z72]F:1000 |
x,y,z |
1_555 |
6 |
1 |
599 |
13.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.010 |
68 |
|
[ZN]B:1001 |
1 |
1 |
98 |
f |
[Z72]B:1000 |
x,y,z |
1_555 |
4 |
1 |
598 |
13.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.010 |
69 |
|
[ZN]D:1001 |
1 |
1 |
98 |
f |
[Z72]D:1000 |
x,y,z |
1_555 |
4 |
1 |
597 |
13.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
13.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.010 |
23 |
70 |
|
[MG]F:1002 |
1 |
1 |
98 |
f |
[ZN]F:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.011 |
24 |
71 |
|
[MG]D:1002 |
1 |
1 |
98 |
f |
[ZN]D:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.011 |
25 |
72 |
|
[MG]E:1002 |
1 |
1 |
98 |
f |
[ZN]E:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.010 |
26 |
73 |
|
[MG]C:1002 |
1 |
1 |
98 |
f |
[ZN]C:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.010 |
27 |
74 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.008 |
28 |
75 |
|
[MG]H:1002 |
1 |
1 |
98 |
f |
[ZN]H:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.010 |
29 |
76 |
|
[MG]G:1002 |
1 |
1 |
98 |
f |
[ZN]G:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.010 |
30 |
77 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[ZN]B:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.007 |
31 |
78 |
|
G |
1 |
1 |
15631 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15778 |
3.3 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
32 |
79 |
|
[SO4]A:1003 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15979 |
0.2 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
|