## |
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 |
84 |
25 |
7389 |
◊ |
H |
x,y-1,z |
1_545 |
87 |
27 |
7420 |
855.0 |
-8.6 |
0.218 |
8 |
4 |
0 |
0.200 |
2 |
|
G |
84 |
26 |
7391 |
◊ |
E |
x,y,z |
1_555 |
85 |
26 |
7414 |
854.5 |
-7.9 |
0.263 |
8 |
4 |
0 |
0.200 |
3 |
|
D |
81 |
24 |
7383 |
◊ |
J |
x-1,y,z |
1_455 |
80 |
24 |
7400 |
854.3 |
-8.7 |
0.201 |
9 |
4 |
0 |
0.200 |
4 |
|
I |
83 |
24 |
7353 |
◊ |
A |
x,y-1,z |
1_545 |
82 |
25 |
7374 |
852.2 |
-8.8 |
0.208 |
8 |
4 |
0 |
0.200 |
5 |
|
C |
83 |
25 |
7456 |
◊ |
F |
x,y,z-1 |
1_554 |
81 |
24 |
7373 |
846.3 |
-9.4 |
0.176 |
7 |
3 |
0 |
0.200 |
Average: |
852.4 |
-8.7 |
0.213 |
8 |
4 |
0 |
0.200 |
2 |
6 |
|
J |
66 |
16 |
7400 |
◊ |
G |
x,y,z |
1_555 |
65 |
16 |
7391 |
679.1 |
-4.3 |
0.398 |
10 |
0 |
0 |
0.137 |
7 |
|
I |
64 |
16 |
7353 |
◊ |
H |
x,y-1,z |
1_545 |
62 |
16 |
7420 |
667.3 |
-4.2 |
0.403 |
10 |
2 |
0 |
0.137 |
8 |
|
D |
61 |
17 |
7383 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
64 |
18 |
7374 |
651.9 |
-4.3 |
0.414 |
10 |
2 |
0 |
0.137 |
9 |
|
F |
63 |
16 |
7373 |
◊ |
E |
x-1,y,z |
1_455 |
62 |
16 |
7414 |
647.8 |
-4.3 |
0.400 |
9 |
2 |
0 |
0.137 |
10 |
|
B |
62 |
17 |
7389 |
◊ |
C |
x,y-1,z |
1_545 |
62 |
15 |
7456 |
635.8 |
-4.9 |
0.340 |
8 |
2 |
0 |
0.137 |
Average: |
656.4 |
-4.4 |
0.391 |
9 |
2 |
0 |
0.137 |
3 |
11 |
|
C |
32 |
8 |
7456 |
◊ |
A |
x,y,z-1 |
1_554 |
42 |
13 |
7374 |
358.4 |
1.4 |
0.781 |
3 |
4 |
0 |
0.000 |
12 |
|
D |
32 |
9 |
7383 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
7389 |
351.9 |
-1.3 |
0.502 |
3 |
4 |
0 |
0.000 |
13 |
|
D |
39 |
12 |
7383 |
◊ |
F |
x,y,z-1 |
1_554 |
31 |
8 |
7373 |
347.6 |
0.9 |
0.749 |
4 |
4 |
0 |
0.000 |
Average: |
352.7 |
0.3 |
0.677 |
3 |
4 |
0 |
0.000 |
4 |
14 |
|
E |
32 |
10 |
7414 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
7389 |
329.0 |
-3.0 |
0.340 |
1 |
0 |
0 |
0.000 |
5 |
15 |
|
[MO7]J:1666 |
26 |
1 |
514 |
f |
J |
x,y,z |
1_555 |
33 |
9 |
7400 |
299.0 |
-7.0 |
0.612 |
3 |
0 |
0 |
0.260 |
16 |
|
[MO7]F:1650 |
26 |
1 |
518 |
f |
F |
x,y,z |
1_555 |
33 |
9 |
7373 |
298.2 |
-6.9 |
0.638 |
4 |
0 |
0 |
0.260 |
17 |
|
[MO7]H:1658 |
26 |
1 |
515 |
f |
H |
x,y,z |
1_555 |
34 |
9 |
7420 |
297.7 |
-6.8 |
0.630 |
3 |
0 |
0 |
0.260 |
18 |
|
[MO7]I:1662 |
26 |
1 |
517 |
f |
I |
x,y,z |
1_555 |
33 |
9 |
7353 |
297.5 |
-7.1 |
0.612 |
3 |
0 |
0 |
0.260 |
19 |
|
[MO7]D:1642 |
26 |
1 |
517 |
f |
D |
x,y,z |
1_555 |
35 |
9 |
7383 |
297.1 |
-6.9 |
0.655 |
3 |
0 |
0 |
0.260 |
20 |
|
[MO7]G:1654 |
26 |
1 |
514 |
f |
G |
x,y,z |
1_555 |
36 |
9 |
7391 |
296.7 |
-7.1 |
0.634 |
3 |
0 |
0 |
0.260 |
21 |
|
[MO7]A:1630 |
25 |
1 |
516 |
f |
A |
x,y,z |
1_555 |
34 |
9 |
7374 |
295.1 |
-6.7 |
0.636 |
3 |
0 |
0 |
0.260 |
22 |
|
[MO7]E:1646 |
26 |
1 |
516 |
f |
E |
x,y,z |
1_555 |
35 |
9 |
7414 |
295.0 |
-6.7 |
0.639 |
3 |
0 |
0 |
0.260 |
23 |
|
[MO7]C:1638 |
26 |
1 |
515 |
f |
C |
x,y,z |
1_555 |
33 |
9 |
7456 |
294.5 |
-6.7 |
0.630 |
3 |
0 |
0 |
0.260 |
24 |
|
[MO7]B:1634 |
26 |
1 |
517 |
f |
B |
x,y,z |
1_555 |
34 |
9 |
7389 |
293.0 |
-6.9 |
0.636 |
3 |
0 |
0 |
0.260 |
Average: |
296.4 |
-6.9 |
0.632 |
3 |
0 |
0 |
0.260 |
6 |
25 |
|
[FLC]J:1668 |
12 |
1 |
317 |
f |
J |
x,y,z |
1_555 |
38 |
18 |
7400 |
188.8 |
1.2 |
0.629 |
10 |
0 |
0 |
0.096 |
26 |
|
[FLC]I:1664 |
12 |
1 |
318 |
f |
I |
x,y,z |
1_555 |
40 |
18 |
7353 |
188.2 |
1.3 |
0.622 |
10 |
0 |
0 |
0.096 |
27 |
|
[FLC]B:1636 |
12 |
1 |
321 |
f |
B |
x,y,z |
1_555 |
41 |
19 |
7389 |
187.8 |
1.2 |
0.651 |
10 |
0 |
0 |
0.096 |
28 |
|
[FLC]H:1660 |
12 |
1 |
320 |
f |
H |
x,y,z |
1_555 |
38 |
18 |
7420 |
187.7 |
1.2 |
0.630 |
10 |
0 |
0 |
0.096 |
29 |
|
[FLC]C:1640 |
12 |
1 |
315 |
f |
C |
x,y,z |
1_555 |
40 |
18 |
7456 |
187.2 |
1.2 |
0.636 |
9 |
0 |
0 |
0.096 |
30 |
|
[FLC]E:1648 |
12 |
1 |
317 |
f |
E |
x,y,z |
1_555 |
37 |
17 |
7414 |
187.2 |
2.3 |
0.668 |
10 |
0 |
0 |
0.096 |
31 |
|
[FLC]G:1656 |
12 |
1 |
316 |
f |
G |
x,y,z |
1_555 |
39 |
18 |
7391 |
186.9 |
1.1 |
0.652 |
10 |
0 |
0 |
0.096 |
32 |
|
[FLC]D:1644 |
12 |
1 |
317 |
f |
D |
x,y,z |
1_555 |
40 |
19 |
7383 |
186.8 |
2.3 |
0.662 |
10 |
0 |
0 |
0.096 |
33 |
|
[FLC]F:1652 |
12 |
1 |
316 |
f |
F |
x,y,z |
1_555 |
39 |
17 |
7373 |
186.4 |
2.3 |
0.668 |
9 |
0 |
0 |
0.096 |
34 |
|
[FLC]A:1632 |
12 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
40 |
19 |
7374 |
185.9 |
1.3 |
0.646 |
9 |
0 |
0 |
0.096 |
Average: |
187.3 |
1.5 |
0.647 |
10 |
0 |
0 |
0.096 |
7 |
35 |
|
G |
17 |
4 |
7391 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
7374 |
155.1 |
-0.8 |
0.472 |
1 |
0 |
0 |
0.000 |
8 |
36 |
|
G |
13 |
3 |
7391 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
7389 |
127.7 |
-0.7 |
0.488 |
2 |
1 |
0 |
0.000 |
37 |
|
E |
13 |
5 |
7414 |
◊ |
H |
x,y-1,z |
1_545 |
9 |
2 |
7420 |
99.8 |
-0.8 |
0.413 |
0 |
3 |
0 |
0.000 |
Average: |
113.7 |
-0.7 |
0.450 |
1 |
2 |
0 |
0.000 |
9 |
38 |
|
[OMO]G:1655 |
4 |
1 |
195 |
f |
G |
x,y,z |
1_555 |
19 |
12 |
7391 |
103.7 |
-0.8 |
0.743 |
5 |
0 |
0 |
0.088 |
39 |
|
[OMO]F:1651 |
4 |
1 |
195 |
f |
F |
x,y,z |
1_555 |
19 |
12 |
7373 |
103.7 |
-0.6 |
0.759 |
5 |
0 |
0 |
0.088 |
40 |
|
[OMO]C:1639 |
4 |
1 |
194 |
f |
C |
x,y,z |
1_555 |
20 |
12 |
7456 |
103.5 |
-0.8 |
0.738 |
5 |
0 |
0 |
0.088 |
41 |
|
[OMO]A:1631 |
4 |
1 |
195 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
7374 |
103.5 |
-0.6 |
0.745 |
5 |
0 |
0 |
0.088 |
42 |
|
[OMO]H:1659 |
4 |
1 |
195 |
f |
H |
x,y,z |
1_555 |
19 |
12 |
7420 |
103.3 |
-0.7 |
0.742 |
5 |
0 |
0 |
0.088 |
43 |
|
[OMO]D:1643 |
4 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
20 |
13 |
7383 |
103.1 |
-0.5 |
0.763 |
5 |
0 |
0 |
0.088 |
44 |
|
[OMO]I:1663 |
4 |
1 |
195 |
f |
I |
x,y,z |
1_555 |
20 |
13 |
7353 |
103.0 |
-0.8 |
0.739 |
5 |
0 |
0 |
0.088 |
45 |
|
[OMO]E:1647 |
4 |
1 |
193 |
f |
E |
x,y,z |
1_555 |
19 |
12 |
7414 |
102.4 |
-0.5 |
0.758 |
5 |
0 |
0 |
0.088 |
46 |
|
[OMO]J:1667 |
4 |
1 |
194 |
f |
J |
x,y,z |
1_555 |
19 |
12 |
7400 |
102.2 |
-0.6 |
0.752 |
5 |
0 |
0 |
0.088 |
47 |
|
[OMO]B:1635 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
19 |
12 |
7389 |
102.2 |
-0.5 |
0.760 |
5 |
0 |
0 |
0.088 |
Average: |
103.1 |
-0.6 |
0.750 |
5 |
0 |
0 |
0.088 |
10 |
48 |
|
J |
9 |
4 |
7400 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
7456 |
80.7 |
1.9 |
0.849 |
1 |
1 |
0 |
0.000 |
11 |
49 |
|
I |
8 |
2 |
7353 |
◊ |
[MO7]H:1658 |
x,y-1,z |
1_545 |
9 |
1 |
515 |
72.1 |
-2.1 |
0.647 |
2 |
0 |
0 |
0.082 |
50 |
|
[MO7]I:1662 |
9 |
1 |
517 |
◊ |
H |
x,y-1,z |
1_545 |
8 |
2 |
7420 |
71.7 |
-2.2 |
0.648 |
1 |
0 |
0 |
0.082 |
51 |
|
[MO7]B:1634 |
9 |
1 |
517 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
2 |
7456 |
71.1 |
-2.1 |
0.637 |
1 |
0 |
0 |
0.082 |
52 |
|
F |
7 |
2 |
7373 |
◊ |
[MO7]E:1646 |
x-1,y,z |
1_455 |
9 |
1 |
516 |
70.1 |
-2.1 |
0.652 |
1 |
0 |
0 |
0.082 |
53 |
|
[MO7]D:1642 |
9 |
1 |
517 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
9 |
3 |
7374 |
69.6 |
-2.1 |
0.658 |
1 |
0 |
0 |
0.082 |
54 |
|
D |
8 |
2 |
7383 |
◊ |
[MO7]A:1630 |
x-1,y-1,z-1 |
1_444 |
8 |
1 |
516 |
68.8 |
-2.1 |
0.629 |
1 |
0 |
0 |
0.082 |
55 |
|
[MO7]F:1650 |
10 |
1 |
518 |
◊ |
E |
x-1,y,z |
1_455 |
8 |
2 |
7414 |
68.2 |
-2.0 |
0.674 |
1 |
0 |
0 |
0.082 |
56 |
|
[MO7]G:1654 |
9 |
1 |
514 |
◊ |
J |
x,y,z |
1_555 |
8 |
2 |
7400 |
67.2 |
-2.1 |
0.645 |
2 |
0 |
0 |
0.082 |
57 |
|
B |
8 |
2 |
7389 |
◊ |
[MO7]C:1638 |
x,y-1,z |
1_545 |
9 |
1 |
515 |
67.1 |
-2.1 |
0.652 |
1 |
0 |
0 |
0.082 |
58 |
|
[MO7]J:1666 |
9 |
1 |
514 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
7391 |
66.4 |
-2.0 |
0.659 |
1 |
0 |
0 |
0.082 |
Average: |
69.2 |
-2.1 |
0.650 |
1 |
0 |
0 |
0.082 |
12 |
59 |
|
[NA]G:1657 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
7391 |
69.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.320 |
60 |
|
[NA]I:1665 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
16 |
7 |
7353 |
69.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.320 |
61 |
|
[NA]D:1645 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
7383 |
69.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.320 |
62 |
|
[NA]J:1669 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
16 |
7 |
7400 |
68.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.320 |
63 |
|
[NA]A:1633 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
7374 |
68.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.320 |
64 |
|
[NA]H:1661 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
7420 |
68.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.320 |
65 |
|
[NA]B:1637 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
7389 |
68.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.320 |
66 |
|
[NA]E:1649 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
7414 |
67.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.320 |
67 |
|
[NA]F:1653 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
7373 |
67.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.320 |
68 |
|
[NA]C:1641 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
7456 |
67.5 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.320 |
Average: |
68.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.320 |
13 |
69 |
|
I |
12 |
4 |
7353 |
◊ |
A |
x-1,y-1,z |
1_445 |
8 |
2 |
7374 |
62.6 |
-0.8 |
0.461 |
0 |
0 |
0 |
0.000 |
14 |
70 |
|
[OMO]B:1635 |
4 |
1 |
196 |
f |
[FLC]B:1636 |
x,y,z |
1_555 |
7 |
1 |
321 |
56.2 |
-2.0 |
0.619 |
0 |
0 |
0 |
0.064 |
71 |
|
[OMO]F:1651 |
4 |
1 |
195 |
cf |
[FLC]F:1652 |
x,y,z |
1_555 |
7 |
1 |
316 |
56.1 |
-2.1 |
0.594 |
0 |
0 |
0 |
0.064 |
72 |
|
[OMO]J:1667 |
4 |
1 |
194 |
cf |
[FLC]J:1668 |
x,y,z |
1_555 |
6 |
1 |
317 |
56.1 |
-2.1 |
0.609 |
0 |
0 |
0 |
0.064 |
73 |
|
[OMO]H:1659 |
4 |
1 |
195 |
f |
[FLC]H:1660 |
x,y,z |
1_555 |
7 |
1 |
320 |
56.0 |
-2.1 |
0.595 |
0 |
0 |
0 |
0.064 |
74 |
|
[OMO]E:1647 |
4 |
1 |
193 |
f |
[FLC]E:1648 |
x,y,z |
1_555 |
6 |
1 |
317 |
55.9 |
-2.0 |
0.609 |
0 |
0 |
0 |
0.064 |
75 |
|
[OMO]I:1663 |
4 |
1 |
195 |
f |
[FLC]I:1664 |
x,y,z |
1_555 |
7 |
1 |
318 |
55.8 |
-2.1 |
0.582 |
0 |
0 |
0 |
0.064 |
76 |
|
[OMO]G:1655 |
4 |
1 |
195 |
f |
[FLC]G:1656 |
x,y,z |
1_555 |
7 |
1 |
316 |
55.7 |
-2.1 |
0.609 |
0 |
0 |
0 |
0.064 |
77 |
|
[OMO]D:1643 |
4 |
1 |
196 |
f |
[FLC]D:1644 |
x,y,z |
1_555 |
6 |
1 |
317 |
55.7 |
-2.1 |
0.605 |
0 |
0 |
0 |
0.064 |
78 |
|
[OMO]C:1639 |
4 |
1 |
194 |
f |
[FLC]C:1640 |
x,y,z |
1_555 |
6 |
1 |
315 |
55.5 |
-2.1 |
0.623 |
0 |
0 |
0 |
0.064 |
79 |
|
[OMO]A:1631 |
4 |
1 |
195 |
f |
[FLC]A:1632 |
x,y,z |
1_555 |
6 |
1 |
316 |
55.3 |
-2.1 |
0.562 |
0 |
0 |
0 |
0.064 |
Average: |
55.8 |
-2.1 |
0.601 |
0 |
0 |
0 |
0.064 |
15 |
80 |
|
I |
2 |
1 |
7353 |
◊ |
[MO7]A:1630 |
x,y-1,z |
1_545 |
4 |
1 |
516 |
32.7 |
-0.5 |
0.701 |
0 |
0 |
0 |
0.017 |
81 |
|
[MO7]D:1642 |
4 |
1 |
517 |
◊ |
J |
x-1,y,z |
1_455 |
2 |
1 |
7400 |
32.6 |
-0.5 |
0.701 |
0 |
0 |
0 |
0.017 |
82 |
|
[MO7]I:1662 |
5 |
1 |
517 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
7374 |
32.4 |
-0.5 |
0.768 |
0 |
0 |
0 |
0.017 |
83 |
|
[MO7]B:1634 |
4 |
1 |
517 |
◊ |
H |
x,y-1,z |
1_545 |
2 |
1 |
7420 |
32.1 |
-0.3 |
0.718 |
0 |
0 |
0 |
0.017 |
84 |
|
[MO7]C:1638 |
4 |
1 |
515 |
◊ |
F |
x,y,z-1 |
1_554 |
2 |
1 |
7373 |
32.1 |
-0.5 |
0.700 |
0 |
0 |
0 |
0.017 |
85 |
|
[MO7]E:1646 |
4 |
1 |
516 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
7391 |
31.9 |
-0.4 |
0.716 |
0 |
0 |
0 |
0.017 |
86 |
|
C |
2 |
1 |
7456 |
◊ |
[MO7]F:1650 |
x,y,z-1 |
1_554 |
4 |
1 |
518 |
31.8 |
-0.5 |
0.697 |
0 |
0 |
0 |
0.017 |
87 |
|
D |
2 |
1 |
7383 |
◊ |
[MO7]J:1666 |
x-1,y,z |
1_455 |
4 |
1 |
514 |
31.4 |
-0.5 |
0.714 |
0 |
0 |
0 |
0.017 |
88 |
|
B |
2 |
1 |
7389 |
◊ |
[MO7]H:1658 |
x,y-1,z |
1_545 |
4 |
1 |
515 |
29.5 |
-0.3 |
0.721 |
0 |
0 |
0 |
0.017 |
89 |
|
[MO7]G:1654 |
4 |
1 |
514 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7414 |
28.4 |
-0.1 |
0.765 |
0 |
0 |
0 |
0.017 |
Average: |
31.5 |
-0.4 |
0.720 |
0 |
0 |
0 |
0.017 |
16 |
90 |
|
C |
1 |
1 |
7456 |
◊ |
[OMO]A:1631 |
x,y,z-1 |
1_554 |
1 |
1 |
195 |
1.6 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
91 |
|
[OMO]D:1643 |
1 |
1 |
196 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
7373 |
1.0 |
-0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
92 |
|
[OMO]B:1635 |
1 |
1 |
196 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7383 |
1.0 |
-0.0 |
0.730 |
0 |
0 |
0 |
0.000 |
Average: |
1.2 |
-0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
17 |
93 |
|
H |
2 |
2 |
7420 |
◊ |
B |
x-1,y+1,z |
1_465 |
2 |
1 |
7389 |
1.6 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
18 |
94 |
|
D |
1 |
1 |
7383 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
7420 |
0.9 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|