| ## |
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 |
|
L |
325 |
80 |
14987 |
◊ |
K |
x,y,z |
1_555 |
334 |
84 |
17701 |
3047.6 |
-17.0 |
0.290 |
46 |
14 |
0 |
0.524 |
2 |
|
J |
322 |
79 |
14841 |
◊ |
I |
x,y,z |
1_555 |
328 |
81 |
17515 |
3033.0 |
-17.7 |
0.331 |
49 |
14 |
0 |
0.524 |
3 |
|
D |
318 |
79 |
14660 |
◊ |
C |
x,y,z |
1_555 |
332 |
83 |
17277 |
3006.6 |
-16.2 |
0.512 |
52 |
14 |
0 |
0.524 |
4 |
|
H |
319 |
78 |
14605 |
◊ |
G |
x,y,z |
1_555 |
336 |
80 |
17344 |
2971.7 |
-18.7 |
0.453 |
45 |
14 |
0 |
0.524 |
5 |
|
F |
317 |
78 |
14694 |
◊ |
E |
x,y,z |
1_555 |
335 |
80 |
17289 |
2971.4 |
-17.9 |
0.377 |
50 |
12 |
0 |
0.524 |
6 |
|
B |
318 |
78 |
14562 |
◊ |
A |
x,y,z |
1_555 |
332 |
80 |
17165 |
2959.6 |
-17.4 |
0.519 |
49 |
13 |
0 |
0.524 |
| Average: |
2998.3 |
-17.5 |
0.414 |
49 |
14 |
0 |
0.524 |
| 2 |
7 |
|
E |
62 |
15 |
17289 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
62 |
16 |
17344 |
566.1 |
-4.0 |
0.308 |
8 |
4 |
0 |
0.000 |
| 3 |
8 |
|
C |
55 |
15 |
17277 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
54 |
14 |
17165 |
553.3 |
-3.9 |
0.276 |
8 |
3 |
0 |
0.000 |
9 |
|
I |
60 |
16 |
17515 |
◊ |
C |
x,y,z |
1_555 |
60 |
15 |
17277 |
534.4 |
-2.7 |
0.334 |
9 |
4 |
0 |
0.000 |
10 |
|
K |
58 |
14 |
17701 |
◊ |
A |
x,y,z |
1_555 |
57 |
16 |
17165 |
532.4 |
-2.5 |
0.352 |
9 |
4 |
0 |
0.000 |
11 |
|
K |
56 |
16 |
17701 |
◊ |
G |
-x,y,-z |
2_555 |
59 |
14 |
17344 |
529.3 |
-2.4 |
0.281 |
9 |
4 |
0 |
0.000 |
| Average: |
537.4 |
-2.9 |
0.311 |
9 |
4 |
0 |
0.000 |
| 4 |
12 |
|
L |
62 |
15 |
14987 |
◊ |
F |
-x,y,-z+1 |
2_556 |
67 |
17 |
14694 |
545.6 |
1.3 |
0.767 |
12 |
3 |
0 |
0.000 |
13 |
|
J |
56 |
12 |
14841 |
◊ |
B |
x,y,z |
1_555 |
60 |
16 |
14562 |
519.2 |
0.0 |
0.740 |
10 |
3 |
0 |
0.000 |
| Average: |
532.4 |
0.6 |
0.753 |
11 |
3 |
0 |
0.000 |
| 5 |
14 |
|
I |
57 |
15 |
17515 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
60 |
18 |
17289 |
543.5 |
-3.0 |
0.330 |
7 |
3 |
0 |
0.000 |
| 6 |
15 |
|
K |
43 |
15 |
17701 |
◊ |
K |
-x,y,-z |
2_555 |
43 |
15 |
17701 |
413.0 |
2.7 |
0.825 |
6 |
2 |
0 |
0.000 |
16 |
|
E |
36 |
11 |
17289 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
17277 |
315.4 |
0.8 |
0.743 |
5 |
2 |
0 |
0.000 |
17 |
|
G |
30 |
13 |
17344 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
17165 |
298.7 |
1.0 |
0.783 |
5 |
2 |
0 |
0.000 |
| Average: |
342.4 |
1.5 |
0.784 |
5 |
2 |
0 |
0.000 |
| 7 |
18 |
|
I |
44 |
12 |
17515 |
◊ |
I |
-x+1,y,-z+2 |
2_657 |
44 |
12 |
17515 |
411.6 |
2.9 |
0.859 |
8 |
4 |
0 |
0.000 |
| 8 |
19 |
|
[GER]R:1300 |
20 |
1 |
618 |
◊ |
L |
x,y,z |
1_555 |
53 |
18 |
14987 |
404.1 |
4.1 |
0.266 |
0 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[MGM]L:1406 |
26 |
1 |
750 |
f |
L |
x,y,z |
1_555 |
50 |
24 |
14987 |
396.1 |
-5.5 |
0.307 |
5 |
0 |
0 |
0.136 |
21 |
|
[MGM]J:1405 |
26 |
1 |
748 |
f |
J |
x,y,z |
1_555 |
49 |
24 |
14841 |
386.1 |
-5.2 |
0.314 |
6 |
0 |
0 |
0.136 |
22 |
|
[MGM]H:1404 |
26 |
1 |
748 |
f |
H |
x,y,z |
1_555 |
49 |
24 |
14605 |
384.9 |
-5.2 |
0.349 |
6 |
0 |
0 |
0.136 |
23 |
|
[MGM]B:1401 |
25 |
1 |
748 |
f |
B |
x,y,z |
1_555 |
51 |
24 |
14562 |
383.1 |
-5.2 |
0.346 |
6 |
0 |
0 |
0.136 |
24 |
|
[MGM]D:1402 |
25 |
1 |
748 |
f |
D |
x,y,z |
1_555 |
49 |
24 |
14660 |
382.4 |
-5.1 |
0.334 |
6 |
0 |
0 |
0.136 |
25 |
|
[MGM]F:1403 |
26 |
1 |
746 |
f |
F |
x,y,z |
1_555 |
49 |
24 |
14694 |
380.5 |
-5.0 |
0.331 |
6 |
0 |
0 |
0.136 |
| Average: |
385.5 |
-5.2 |
0.330 |
6 |
0 |
0 |
0.136 |
| 10 |
26 |
|
D |
49 |
12 |
14660 |
◊ |
K |
x,y,z |
1_555 |
34 |
9 |
17701 |
380.0 |
3.1 |
0.853 |
8 |
1 |
0 |
0.000 |
27 |
|
H |
37 |
11 |
14605 |
◊ |
I |
-x+1,y,-z+1 |
2_656 |
28 |
6 |
17515 |
269.3 |
3.4 |
0.877 |
5 |
2 |
0 |
0.000 |
| Average: |
324.7 |
3.2 |
0.865 |
7 |
2 |
0 |
0.000 |
| 11 |
28 |
|
R |
25 |
5 |
826 |
◊ |
L |
x,y,z |
1_555 |
46 |
19 |
14987 |
342.2 |
-5.5 |
0.428 |
2 |
0 |
0 |
0.000 |
| 12 |
29 |
|
N |
25 |
4 |
815 |
◊ |
D |
x,y,z |
1_555 |
42 |
20 |
14660 |
328.6 |
-5.6 |
0.441 |
4 |
0 |
0 |
0.129 |
30 |
|
M |
25 |
4 |
816 |
◊ |
B |
x,y,z |
1_555 |
43 |
21 |
14562 |
327.7 |
-5.7 |
0.433 |
4 |
0 |
0 |
0.129 |
31 |
|
O |
25 |
4 |
813 |
◊ |
F |
x,y,z |
1_555 |
42 |
21 |
14694 |
327.6 |
-5.5 |
0.433 |
4 |
0 |
0 |
0.129 |
32 |
|
Q |
25 |
4 |
813 |
◊ |
J |
x,y,z |
1_555 |
42 |
21 |
14841 |
326.8 |
-5.3 |
0.445 |
4 |
0 |
0 |
0.129 |
33 |
|
P |
24 |
4 |
814 |
◊ |
H |
x,y,z |
1_555 |
42 |
21 |
14605 |
323.4 |
-5.5 |
0.448 |
4 |
0 |
0 |
0.129 |
| Average: |
326.8 |
-5.5 |
0.440 |
4 |
0 |
0 |
0.129 |
| 13 |
34 |
|
[MGM]B:1401 |
17 |
1 |
748 |
◊ |
M |
x,y,z |
1_555 |
15 |
4 |
816 |
138.6 |
-1.4 |
0.634 |
0 |
0 |
0 |
0.024 |
35 |
|
[MGM]D:1402 |
17 |
1 |
748 |
◊ |
N |
x,y,z |
1_555 |
13 |
4 |
815 |
138.4 |
-1.4 |
0.611 |
0 |
0 |
0 |
0.024 |
36 |
|
[MGM]J:1405 |
17 |
1 |
748 |
◊ |
Q |
x,y,z |
1_555 |
15 |
4 |
813 |
138.1 |
-1.4 |
0.634 |
0 |
0 |
0 |
0.024 |
37 |
|
[MGM]H:1404 |
18 |
1 |
748 |
◊ |
P |
x,y,z |
1_555 |
13 |
4 |
814 |
138.0 |
-1.5 |
0.611 |
0 |
0 |
0 |
0.024 |
38 |
|
[MGM]F:1403 |
17 |
1 |
746 |
◊ |
O |
x,y,z |
1_555 |
14 |
4 |
813 |
137.7 |
-1.4 |
0.625 |
0 |
0 |
0 |
0.024 |
| Average: |
138.1 |
-1.4 |
0.623 |
0 |
0 |
0 |
0.024 |
| 14 |
39 |
|
[MGM]L:1406 |
15 |
1 |
750 |
◊ |
R |
x,y,z |
1_555 |
13 |
3 |
826 |
124.9 |
-0.4 |
0.671 |
0 |
0 |
0 |
0.000 |
| 15 |
40 |
|
[MGM]F:1403 |
12 |
1 |
746 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
17289 |
119.8 |
-0.6 |
0.574 |
2 |
0 |
0 |
0.017 |
41 |
|
[MGM]B:1401 |
12 |
1 |
748 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
17165 |
119.2 |
-0.5 |
0.597 |
2 |
0 |
0 |
0.017 |
42 |
|
[MGM]D:1402 |
12 |
1 |
748 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
17277 |
118.7 |
-0.5 |
0.584 |
2 |
0 |
0 |
0.017 |
43 |
|
[MGM]H:1404 |
12 |
1 |
748 |
◊ |
G |
x,y,z |
1_555 |
19 |
7 |
17344 |
117.1 |
-0.3 |
0.608 |
2 |
0 |
0 |
0.017 |
44 |
|
[MGM]J:1405 |
12 |
1 |
748 |
◊ |
I |
x,y,z |
1_555 |
20 |
7 |
17515 |
115.8 |
-0.3 |
0.582 |
2 |
0 |
0 |
0.017 |
45 |
|
[MGM]L:1406 |
11 |
1 |
750 |
◊ |
K |
x,y,z |
1_555 |
21 |
7 |
17701 |
113.0 |
-0.1 |
0.573 |
1 |
0 |
0 |
0.017 |
| Average: |
117.3 |
-0.4 |
0.586 |
2 |
0 |
0 |
0.017 |
| 16 |
46 |
|
P |
12 |
3 |
814 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
17344 |
112.2 |
-0.7 |
0.613 |
1 |
0 |
0 |
0.011 |
47 |
|
M |
12 |
3 |
816 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
17165 |
110.8 |
-0.7 |
0.620 |
1 |
0 |
0 |
0.011 |
48 |
|
N |
12 |
3 |
815 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
17277 |
110.5 |
-0.7 |
0.616 |
1 |
0 |
0 |
0.011 |
49 |
|
Q |
12 |
3 |
813 |
◊ |
I |
x,y,z |
1_555 |
15 |
6 |
17515 |
110.1 |
-0.6 |
0.601 |
1 |
0 |
0 |
0.011 |
50 |
|
O |
12 |
3 |
813 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
17289 |
109.1 |
-0.6 |
0.608 |
1 |
0 |
0 |
0.011 |
| Average: |
110.5 |
-0.7 |
0.612 |
1 |
0 |
0 |
0.011 |
| 17 |
51 |
|
R |
13 |
5 |
826 |
◊ |
K |
x,y,z |
1_555 |
14 |
6 |
17701 |
100.2 |
0.1 |
0.609 |
1 |
0 |
0 |
0.000 |
| 18 |
52 |
|
K |
13 |
4 |
17701 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17277 |
93.7 |
0.7 |
0.754 |
2 |
3 |
0 |
0.000 |
53 |
|
I |
10 |
3 |
17515 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
17344 |
92.5 |
2.2 |
0.905 |
3 |
4 |
0 |
0.000 |
| Average: |
93.1 |
1.5 |
0.829 |
3 |
4 |
0 |
0.000 |
| 19 |
54 |
|
[GER]R:1300 |
7 |
1 |
618 |
cf |
R |
x,y,z |
1_555 |
11 |
4 |
826 |
92.2 |
2.9 |
0.651 |
0 |
0 |
0 |
0.000 |
| 20 |
55 |
|
[CL]G:1311 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
17344 |
78.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.105 |
56 |
|
[CL]K:1317 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
12 |
5 |
17701 |
75.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.105 |
57 |
|
[CL]C:1301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17277 |
71.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
75.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.105 |
| 21 |
58 |
|
H |
14 |
6 |
14605 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14562 |
71.9 |
2.5 |
0.924 |
1 |
1 |
0 |
0.000 |
59 |
|
L |
6 |
3 |
14987 |
◊ |
L |
-x,y,-z |
2_555 |
6 |
3 |
14987 |
65.9 |
2.1 |
0.923 |
2 |
4 |
0 |
0.000 |
60 |
|
F |
2 |
2 |
14694 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
14660 |
30.8 |
0.8 |
0.831 |
1 |
1 |
0 |
0.000 |
| Average: |
56.2 |
1.8 |
0.893 |
1 |
2 |
0 |
0.000 |
| 22 |
61 |
|
[CL]F:1309 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
15 |
4 |
14694 |
71.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.165 |
62 |
|
[CL]H:1312 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
14605 |
71.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.165 |
63 |
|
[CL]D:1306 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
14660 |
71.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.165 |
64 |
|
[CL]J:1315 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
4 |
14841 |
69.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.165 |
| Average: |
70.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.165 |
| 23 |
65 |
|
[ZN]L:378 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
5 |
4 |
14987 |
49.2 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.487 |
66 |
|
[ZN]H:378 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
5 |
14605 |
38.2 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.487 |
67 |
|
[ZN]B:378 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
14562 |
37.8 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.487 |
68 |
|
[ZN]J:378 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
5 |
4 |
14841 |
37.8 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.487 |
69 |
|
[ZN]F:378 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
4 |
14694 |
37.5 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.487 |
70 |
|
[ZN]D:378 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
14660 |
37.5 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.487 |
| Average: |
39.7 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.487 |
| 24 |
71 |
|
J |
3 |
2 |
14841 |
◊ |
J |
-x+1,y,-z+2 |
2_657 |
3 |
2 |
14841 |
41.5 |
0.6 |
0.832 |
0 |
0 |
0 |
0.000 |
| 25 |
72 |
|
J |
9 |
3 |
14841 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
4 |
2 |
14605 |
28.7 |
0.3 |
0.719 |
1 |
0 |
0 |
0.000 |
73 |
|
L |
3 |
3 |
14987 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14660 |
17.7 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
| Average: |
23.2 |
0.2 |
0.718 |
1 |
0 |
0 |
0.000 |
| 26 |
74 |
|
[ZN]B:378 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
816 |
27.3 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.224 |
75 |
|
[ZN]F:378 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
813 |
27.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.224 |
76 |
|
[ZN]D:378 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
815 |
27.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.224 |
77 |
|
[ZN]J:378 |
1 |
1 |
98 |
◊ |
Q |
x,y,z |
1_555 |
2 |
1 |
813 |
26.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.224 |
78 |
|
[ZN]H:378 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
814 |
26.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.224 |
| Average: |
26.9 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.224 |
| 27 |
79 |
|
[CL]K:1317 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17165 |
19.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
80 |
|
[CL]C:1301 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
17515 |
17.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
81 |
|
[CL]G:1311 |
1 |
1 |
125 |
◊ |
K |
-x,y,-z |
2_555 |
2 |
1 |
17701 |
16.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
82 |
|
D |
3 |
2 |
14660 |
◊ |
D |
-x,y,-z+1 |
2_556 |
3 |
2 |
14660 |
17.7 |
-0.5 |
0.347 |
0 |
0 |
0 |
0.000 |
| 29 |
83 |
|
H |
2 |
1 |
14605 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
14562 |
4.2 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
| 30 |
84 |
|
[ZN]L:378 |
1 |
1 |
98 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
826 |
4.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
|