## |
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 |
107 |
32 |
15886 |
◊ |
C |
x,y,z |
1_555 |
92 |
27 |
15868 |
909.7 |
-3.4 |
0.535 |
8 |
8 |
0 |
0.077 |
2 |
2 |
|
E |
57 |
18 |
15793 |
◊ |
C |
x,y,z |
1_555 |
71 |
19 |
15868 |
674.5 |
-6.1 |
0.057 |
12 |
5 |
0 |
0.187 |
3 |
|
F |
74 |
20 |
15988 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
64 |
20 |
15903 |
672.9 |
-6.4 |
0.054 |
12 |
4 |
0 |
0.187 |
4 |
|
D |
59 |
19 |
15787 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
75 |
20 |
15903 |
663.5 |
-5.1 |
0.106 |
13 |
5 |
0 |
0.187 |
5 |
|
A |
57 |
18 |
15954 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
71 |
19 |
15793 |
651.5 |
-5.3 |
0.082 |
11 |
4 |
0 |
0.187 |
6 |
|
F |
59 |
17 |
15988 |
◊ |
D |
x,y,z |
1_555 |
75 |
19 |
15787 |
650.0 |
-3.8 |
0.171 |
12 |
5 |
0 |
0.187 |
7 |
|
A |
70 |
20 |
15954 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
58 |
17 |
15868 |
619.7 |
-4.8 |
0.135 |
14 |
4 |
0 |
0.187 |
Average: |
655.3 |
-5.3 |
0.101 |
12 |
5 |
0 |
0.187 |
3 |
8 |
|
D |
55 |
15 |
15787 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
50 |
15 |
15868 |
425.0 |
1.9 |
0.809 |
8 |
4 |
0 |
0.000 |
4 |
9 |
|
F |
54 |
16 |
15988 |
◊ |
E |
x,y,z |
1_555 |
48 |
14 |
15793 |
422.4 |
2.6 |
0.824 |
12 |
4 |
0 |
0.000 |
5 |
10 |
|
[DQ8]E:801 |
24 |
1 |
577 |
f |
E |
x,y,z |
1_555 |
58 |
18 |
15793 |
396.0 |
-8.6 |
0.430 |
2 |
0 |
0 |
0.150 |
11 |
|
[DQ8]C:801 |
23 |
1 |
574 |
f |
C |
x,y,z |
1_555 |
59 |
18 |
15868 |
387.2 |
-8.2 |
0.458 |
3 |
0 |
0 |
0.150 |
12 |
|
[DQ8]D:801 |
23 |
1 |
578 |
f |
D |
x,y,z |
1_555 |
54 |
18 |
15787 |
384.7 |
-8.5 |
0.465 |
1 |
0 |
0 |
0.150 |
13 |
|
[DQ8]B:801 |
25 |
1 |
570 |
f |
B |
x,y,z |
1_555 |
58 |
18 |
15903 |
384.0 |
-8.1 |
0.472 |
3 |
0 |
0 |
0.150 |
14 |
|
[DQ8]A:801 |
24 |
1 |
574 |
f |
A |
x,y,z |
1_555 |
52 |
18 |
15954 |
381.7 |
-8.8 |
0.360 |
2 |
0 |
0 |
0.150 |
Average: |
386.7 |
-8.4 |
0.437 |
2 |
0 |
0 |
0.150 |
6 |
15 |
|
[DQ8]F:801 |
23 |
1 |
575 |
f |
F |
x,y,z |
1_555 |
60 |
18 |
15988 |
393.4 |
-8.7 |
0.435 |
1 |
0 |
0 |
0.081 |
16 |
|
[DQ8]G:801 |
25 |
1 |
581 |
f |
G |
x,y,z |
1_555 |
58 |
18 |
15886 |
376.2 |
-7.7 |
0.511 |
2 |
0 |
0 |
0.081 |
Average: |
384.8 |
-8.2 |
0.473 |
2 |
0 |
0 |
0.081 |
7 |
17 |
|
A |
41 |
13 |
15954 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
15 |
15903 |
368.6 |
2.8 |
0.845 |
9 |
6 |
0 |
0.006 |
8 |
18 |
|
[ADP]C:601 |
27 |
1 |
547 |
f |
C |
x,y,z |
1_555 |
48 |
16 |
15868 |
322.1 |
-5.0 |
0.534 |
11 |
0 |
0 |
0.203 |
19 |
|
[ADP]D:601 |
27 |
1 |
544 |
f |
D |
x,y,z |
1_555 |
46 |
15 |
15787 |
317.5 |
-7.1 |
0.480 |
11 |
0 |
0 |
0.203 |
20 |
|
[ADP]E:601 |
27 |
1 |
547 |
f |
E |
x,y,z |
1_555 |
49 |
17 |
15793 |
317.0 |
-5.9 |
0.533 |
9 |
0 |
0 |
0.203 |
21 |
|
[ADP]A:601 |
26 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
44 |
14 |
15954 |
312.5 |
-6.3 |
0.453 |
8 |
0 |
0 |
0.203 |
22 |
|
[ADP]G:601 |
27 |
1 |
553 |
f |
G |
x,y,z |
1_555 |
43 |
16 |
15886 |
312.1 |
-6.3 |
0.529 |
12 |
0 |
0 |
0.203 |
23 |
|
[ADP]B:601 |
27 |
1 |
547 |
f |
B |
x,y,z |
1_555 |
43 |
14 |
15903 |
311.8 |
-5.5 |
0.478 |
11 |
0 |
0 |
0.203 |
24 |
|
[ADP]F:601 |
25 |
1 |
543 |
f |
F |
x,y,z |
1_555 |
43 |
15 |
15988 |
306.4 |
-7.5 |
0.317 |
9 |
0 |
0 |
0.203 |
Average: |
314.2 |
-6.2 |
0.475 |
10 |
0 |
0 |
0.203 |
9 |
25 |
|
G |
36 |
13 |
15886 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
34 |
6 |
15787 |
317.0 |
-1.7 |
0.489 |
4 |
0 |
0 |
0.000 |
10 |
26 |
|
B |
30 |
8 |
15903 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
15954 |
229.9 |
0.7 |
0.717 |
3 |
2 |
0 |
0.000 |
11 |
27 |
|
D |
16 |
7 |
15787 |
◊ |
C |
x,y,z |
1_555 |
19 |
9 |
15868 |
136.3 |
2.2 |
0.865 |
0 |
0 |
0 |
0.000 |
12 |
28 |
|
[DQ8]G:801 |
9 |
1 |
581 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
15868 |
104.2 |
-1.7 |
0.632 |
0 |
0 |
0 |
0.016 |
13 |
29 |
|
[SO4]D:1362 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
15787 |
92.1 |
-13.5 |
0.754 |
2 |
0 |
0 |
0.079 |
14 |
30 |
|
[ADP]C:601 |
9 |
1 |
547 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
15886 |
90.6 |
-0.9 |
0.379 |
0 |
0 |
0 |
0.009 |
15 |
31 |
|
[CL]B:1364 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15903 |
69.7 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.171 |
32 |
|
[CL]E:1364 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
15793 |
68.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.171 |
33 |
|
[CL]C:1367 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15868 |
66.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.171 |
34 |
|
[CL]A:1367 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15954 |
66.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.171 |
35 |
|
[CL]F:1364 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
15988 |
62.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.171 |
36 |
|
[CL]C:1368 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15868 |
47.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
63.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.171 |
16 |
37 |
|
[CL]A:1366 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15954 |
69.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.047 |
17 |
38 |
|
[CL]A:1365 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15954 |
60.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.066 |
39 |
|
[CL]C:1369 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
15868 |
55.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
57.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.066 |
18 |
40 |
|
[CL]D:1363 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15787 |
58.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.083 |
41 |
|
[CL]B:1365 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15903 |
56.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.083 |
42 |
|
[CL]A:1364 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15954 |
55.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
57.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.083 |
19 |
43 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15903 |
57.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.101 |
44 |
|
[MG]E:701 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
15793 |
56.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.101 |
45 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15954 |
53.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.101 |
46 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15787 |
53.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.101 |
47 |
|
[MG]G:701 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
15886 |
52.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.101 |
48 |
|
[MG]F:701 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
15988 |
50.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.101 |
49 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
15868 |
47.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
53.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.101 |
20 |
50 |
|
[CL]D:1364 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
15787 |
46.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.034 |
21 |
51 |
|
[CL]G:1364 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
15886 |
42.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.041 |
22 |
52 |
|
[MG]C:701 |
1 |
1 |
98 |
f |
[ADP]C:601 |
x,y,z |
1_555 |
4 |
1 |
547 |
36.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.103 |
53 |
|
[MG]F:701 |
1 |
1 |
98 |
f |
[ADP]F:601 |
x,y,z |
1_555 |
4 |
1 |
543 |
35.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.103 |
54 |
|
[MG]G:701 |
1 |
1 |
98 |
f |
[ADP]G:601 |
x,y,z |
1_555 |
4 |
1 |
553 |
33.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.103 |
55 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
[ADP]B:601 |
x,y,z |
1_555 |
4 |
1 |
547 |
31.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.103 |
56 |
|
[MG]E:701 |
1 |
1 |
98 |
f |
[ADP]E:601 |
x,y,z |
1_555 |
4 |
1 |
547 |
28.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.103 |
57 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
[ADP]D:601 |
x,y,z |
1_555 |
3 |
1 |
544 |
27.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.103 |
58 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
[ADP]A:601 |
x,y,z |
1_555 |
4 |
1 |
543 |
27.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
31.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.103 |
23 |
59 |
|
[SO4]D:1362 |
4 |
1 |
185 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
15868 |
30.7 |
-2.2 |
0.991 |
1 |
0 |
0 |
0.000 |
24 |
60 |
|
[CL]C:1368 |
1 |
1 |
125 |
f |
[CL]C:1367 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.052 |
25 |
61 |
|
[ADP]G:601 |
3 |
1 |
553 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
15868 |
24.3 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.001 |
26 |
62 |
|
[CL]A:1365 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
15903 |
13.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.004 |
27 |
63 |
|
[CL]G:1364 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
15868 |
12.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
28 |
64 |
|
[CL]C:1368 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
15886 |
11.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
29 |
65 |
|
[CL]D:1364 |
1 |
1 |
125 |
f |
[ADP]D:601 |
x,y,z |
1_555 |
3 |
1 |
544 |
11.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
30 |
66 |
|
G |
1 |
1 |
15886 |
◊ |
A |
-x+1/2,-y-1,z-1/2 |
2_544 |
1 |
1 |
15954 |
9.1 |
0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
31 |
67 |
|
C |
3 |
1 |
15868 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
15793 |
8.8 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
32 |
68 |
|
[CL]D:1363 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15868 |
4.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
69 |
|
D |
2 |
1 |
15787 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15903 |
2.5 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
34 |
70 |
|
F |
2 |
2 |
15988 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
15793 |
1.9 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
|