## |
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 |
|
C |
120 |
34 |
13394 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
122 |
34 |
13626 |
1094.9 |
-7.8 |
0.381 |
6 |
4 |
0 |
0.125 |
2 |
|
E |
112 |
33 |
13545 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
119 |
35 |
13340 |
1051.0 |
-6.5 |
0.434 |
4 |
4 |
0 |
0.125 |
3 |
|
A |
110 |
32 |
13410 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
110 |
32 |
13693 |
998.4 |
-6.6 |
0.424 |
3 |
4 |
0 |
0.125 |
Average: |
1048.1 |
-7.0 |
0.413 |
4 |
4 |
0 |
0.125 |
2 |
4 |
|
F |
69 |
17 |
13693 |
◊ |
D |
x-1,y,z |
1_455 |
68 |
21 |
13626 |
624.0 |
-6.4 |
0.210 |
7 |
0 |
0 |
0.127 |
5 |
|
C |
65 |
16 |
13394 |
◊ |
A |
x-1,y,z-1 |
1_454 |
72 |
21 |
13410 |
600.0 |
-4.8 |
0.302 |
9 |
0 |
0 |
0.127 |
6 |
|
C |
69 |
22 |
13394 |
◊ |
E |
x,y,z-1 |
1_554 |
67 |
15 |
13545 |
599.6 |
-5.7 |
0.276 |
5 |
0 |
0 |
0.127 |
7 |
|
E |
71 |
21 |
13545 |
◊ |
A |
x-1,y,z |
1_455 |
68 |
13 |
13410 |
598.1 |
-6.1 |
0.260 |
8 |
0 |
0 |
0.127 |
8 |
|
D |
61 |
14 |
13626 |
◊ |
B |
x,y,z |
1_555 |
69 |
20 |
13340 |
562.7 |
-3.8 |
0.302 |
6 |
0 |
0 |
0.127 |
9 |
|
F |
64 |
21 |
13693 |
◊ |
B |
x-1,y,z |
1_455 |
61 |
17 |
13340 |
560.2 |
-3.3 |
0.388 |
8 |
0 |
0 |
0.127 |
Average: |
590.8 |
-5.0 |
0.290 |
7 |
0 |
0 |
0.127 |
3 |
10 |
|
[APR]E:5001 |
36 |
1 |
727 |
f |
E |
x,y,z |
1_555 |
88 |
32 |
13545 |
526.2 |
-8.3 |
0.595 |
19 |
0 |
0 |
0.378 |
11 |
|
[APR]D:4001 |
35 |
1 |
734 |
f |
D |
x,y,z |
1_555 |
85 |
32 |
13626 |
524.5 |
-7.7 |
0.636 |
20 |
0 |
0 |
0.378 |
12 |
|
[APR]F:6001 |
35 |
1 |
730 |
f |
F |
x,y,z |
1_555 |
85 |
32 |
13693 |
520.6 |
-7.5 |
0.678 |
20 |
0 |
0 |
0.378 |
13 |
|
[APR]B:2001 |
36 |
1 |
728 |
f |
B |
x,y,z |
1_555 |
90 |
32 |
13340 |
519.2 |
-7.3 |
0.662 |
20 |
0 |
0 |
0.378 |
14 |
|
[APR]C:3001 |
36 |
1 |
727 |
f |
C |
x,y,z |
1_555 |
85 |
32 |
13394 |
518.7 |
-7.5 |
0.640 |
21 |
0 |
0 |
0.378 |
15 |
|
[APR]A:1001 |
35 |
1 |
731 |
f |
A |
x,y,z |
1_555 |
86 |
30 |
13410 |
515.7 |
-7.6 |
0.657 |
19 |
0 |
0 |
0.378 |
Average: |
520.8 |
-7.6 |
0.645 |
20 |
0 |
0 |
0.378 |
4 |
16 |
|
D |
49 |
12 |
13626 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
13394 |
441.2 |
2.7 |
0.799 |
7 |
8 |
0 |
0.000 |
5 |
17 |
|
B |
41 |
13 |
13340 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
13410 |
357.7 |
1.8 |
0.811 |
5 |
8 |
0 |
0.000 |
6 |
18 |
|
E |
31 |
9 |
13545 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
13394 |
291.6 |
-0.9 |
0.559 |
3 |
0 |
0 |
0.000 |
19 |
|
E |
24 |
9 |
13545 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
13410 |
252.7 |
-1.7 |
0.452 |
2 |
0 |
0 |
0.000 |
Average: |
272.1 |
-1.3 |
0.505 |
3 |
0 |
0 |
0.000 |
7 |
20 |
|
E |
25 |
9 |
13545 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
27 |
9 |
13693 |
234.2 |
-1.0 |
0.456 |
3 |
4 |
0 |
0.000 |
21 |
|
C |
23 |
9 |
13394 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
26 |
8 |
13340 |
215.1 |
-0.4 |
0.538 |
3 |
4 |
0 |
0.000 |
Average: |
224.7 |
-0.7 |
0.497 |
3 |
4 |
0 |
0.000 |
8 |
22 |
|
F |
28 |
10 |
13693 |
◊ |
E |
x,y,z |
1_555 |
22 |
6 |
13545 |
223.3 |
-0.2 |
0.521 |
2 |
1 |
0 |
0.000 |
9 |
23 |
|
D |
30 |
9 |
13626 |
◊ |
F |
x,y,z-1 |
1_554 |
28 |
10 |
13693 |
223.2 |
0.7 |
0.653 |
1 |
0 |
0 |
0.000 |
10 |
24 |
|
[SO4]B:319 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13340 |
93.4 |
-12.5 |
0.892 |
3 |
0 |
0 |
0.124 |
11 |
25 |
|
[SO4]D:318 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
13626 |
89.9 |
-10.3 |
0.945 |
2 |
0 |
0 |
0.127 |
12 |
26 |
|
[SO4]F:318 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
13693 |
89.3 |
-11.0 |
0.914 |
5 |
0 |
0 |
0.097 |
13 |
27 |
|
[SO4]D:319 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
13626 |
87.7 |
-10.6 |
0.744 |
1 |
0 |
0 |
0.124 |
14 |
28 |
|
[SO4]A:320 |
5 |
1 |
185 |
f |
F |
-x,y-1/2,-z |
2_545 |
13 |
5 |
13693 |
87.5 |
-11.0 |
0.743 |
1 |
0 |
0 |
0.084 |
15 |
29 |
|
[SO4]B:318 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13340 |
86.7 |
-11.1 |
0.895 |
5 |
0 |
0 |
0.120 |
16 |
30 |
|
[SO4]A:318 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13410 |
86.4 |
-10.8 |
0.900 |
3 |
0 |
0 |
0.089 |
17 |
31 |
|
C |
14 |
5 |
13394 |
f |
[SO4]D:319 |
-x,y-1/2,-z-1 |
2_544 |
5 |
1 |
184 |
86.2 |
-10.6 |
0.730 |
1 |
0 |
0 |
0.125 |
18 |
32 |
|
[SO4]F:319 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
13693 |
86.0 |
-11.0 |
0.895 |
3 |
0 |
0 |
0.090 |
19 |
33 |
|
[SO4]E:318 |
5 |
1 |
186 |
f |
B |
-x,y-1/2,-z |
2_545 |
13 |
5 |
13340 |
85.9 |
-10.8 |
0.750 |
1 |
0 |
0 |
0.101 |
20 |
34 |
|
[SO4]E:318 |
5 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
13545 |
82.1 |
-10.3 |
0.720 |
1 |
0 |
0 |
0.097 |
21 |
35 |
|
[SO4]A:321 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
13410 |
81.3 |
-11.2 |
0.871 |
5 |
0 |
0 |
0.099 |
22 |
36 |
|
[SO4]A:320 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
13410 |
79.9 |
-10.2 |
0.733 |
1 |
0 |
0 |
0.078 |
23 |
37 |
|
[SO4]E:319 |
5 |
1 |
186 |
f |
B |
-x,y-1/2,-z |
2_545 |
11 |
5 |
13340 |
77.2 |
-11.3 |
0.632 |
2 |
0 |
0 |
0.110 |
24 |
38 |
|
[SO4]A:319 |
5 |
1 |
184 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
10 |
5 |
13693 |
74.4 |
-10.8 |
0.640 |
1 |
0 |
0 |
0.082 |
25 |
39 |
|
[SO4]C:318 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
13394 |
74.2 |
-11.2 |
0.602 |
1 |
0 |
0 |
0.132 |
26 |
40 |
|
[SO4]A:319 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
13410 |
70.5 |
-9.9 |
0.774 |
4 |
0 |
0 |
0.086 |
27 |
41 |
|
C |
6 |
2 |
13394 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13410 |
66.1 |
-1.4 |
0.232 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[SO4]E:319 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
13545 |
61.4 |
-8.5 |
0.583 |
1 |
0 |
0 |
0.080 |
29 |
43 |
|
C |
7 |
2 |
13394 |
◊ |
[APR]D:4001 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
734 |
41.1 |
1.0 |
0.794 |
1 |
0 |
0 |
0.000 |
44 |
|
E |
7 |
2 |
13545 |
◊ |
[APR]B:2001 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
728 |
39.2 |
0.9 |
0.777 |
1 |
0 |
0 |
0.000 |
45 |
|
[APR]C:3001 |
4 |
1 |
727 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
7 |
2 |
13626 |
39.2 |
0.9 |
0.779 |
1 |
0 |
0 |
0.000 |
46 |
|
[APR]E:5001 |
4 |
1 |
727 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
2 |
13340 |
38.9 |
0.9 |
0.785 |
1 |
0 |
0 |
0.000 |
47 |
|
[APR]A:1001 |
4 |
1 |
731 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
7 |
2 |
13693 |
37.4 |
0.9 |
0.776 |
1 |
0 |
0 |
0.000 |
48 |
|
A |
7 |
2 |
13410 |
◊ |
[APR]F:6001 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
730 |
37.4 |
0.7 |
0.746 |
1 |
0 |
0 |
0.000 |
Average: |
38.9 |
0.9 |
0.776 |
1 |
0 |
0 |
0.000 |
30 |
49 |
|
[SO4]A:321 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13340 |
40.3 |
-3.4 |
0.958 |
1 |
0 |
0 |
0.000 |
31 |
50 |
|
[SO4]F:319 |
4 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
13340 |
40.3 |
-4.1 |
0.915 |
1 |
0 |
0 |
0.025 |
32 |
51 |
|
D |
2 |
1 |
13626 |
◊ |
[SO4]F:319 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
39.9 |
-3.6 |
0.976 |
2 |
0 |
0 |
0.000 |
33 |
52 |
|
[SO4]B:319 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13626 |
38.9 |
-3.8 |
0.945 |
1 |
0 |
0 |
0.024 |
34 |
53 |
|
F |
4 |
3 |
13693 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
13410 |
37.7 |
0.7 |
0.835 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
A |
3 |
2 |
13410 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
13340 |
29.6 |
0.5 |
0.760 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
3 |
1 |
13545 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
13626 |
18.8 |
0.3 |
0.752 |
0 |
0 |
0 |
0.000 |
56 |
|
C |
2 |
1 |
13394 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
13693 |
17.3 |
0.3 |
0.781 |
0 |
0 |
0 |
0.000 |
Average: |
21.9 |
0.4 |
0.764 |
0 |
0 |
0 |
0.000 |
36 |
57 |
|
C |
1 |
1 |
13394 |
◊ |
[SO4]F:319 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
184 |
0.9 |
-0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
|