| ## |
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 |
|
H |
327 |
80 |
14922 |
◊ |
G |
x,y,z |
1_555 |
336 |
83 |
17528 |
3029.5 |
-16.9 |
0.428 |
51 |
13 |
0 |
0.432 |
2 |
|
L |
323 |
78 |
15193 |
◊ |
K |
x,y,z |
1_555 |
327 |
82 |
17734 |
3025.4 |
-16.6 |
0.252 |
49 |
14 |
0 |
0.432 |
3 |
|
D |
327 |
81 |
14951 |
◊ |
C |
x,y,z |
1_555 |
335 |
83 |
17419 |
3020.5 |
-14.4 |
0.441 |
50 |
12 |
0 |
0.432 |
4 |
|
F |
319 |
78 |
15024 |
◊ |
E |
x,y,z |
1_555 |
333 |
81 |
17428 |
3013.1 |
-17.3 |
0.332 |
52 |
11 |
0 |
0.432 |
5 |
|
J |
321 |
78 |
15010 |
◊ |
I |
x,y,z |
1_555 |
327 |
81 |
17610 |
3004.8 |
-19.3 |
0.224 |
47 |
13 |
0 |
0.432 |
6 |
|
B |
316 |
77 |
14723 |
◊ |
A |
x,y,z |
1_555 |
329 |
80 |
17320 |
2994.3 |
-16.3 |
0.447 |
50 |
13 |
0 |
0.432 |
| Average: |
3014.6 |
-16.8 |
0.354 |
50 |
13 |
0 |
0.432 |
| 2 |
7 |
|
E |
60 |
14 |
17428 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
59 |
16 |
17528 |
557.5 |
-3.2 |
0.284 |
8 |
4 |
0 |
0.000 |
| 3 |
8 |
|
I |
61 |
16 |
17610 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
57 |
17 |
17428 |
535.5 |
-2.8 |
0.276 |
8 |
3 |
0 |
0.000 |
| 4 |
9 |
|
C |
53 |
15 |
17419 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
55 |
14 |
17320 |
534.4 |
-3.2 |
0.281 |
7 |
3 |
0 |
0.000 |
10 |
|
K |
60 |
15 |
17734 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
17320 |
533.6 |
-2.5 |
0.311 |
9 |
4 |
0 |
0.000 |
11 |
|
I |
57 |
16 |
17610 |
◊ |
C |
x,y,z |
1_555 |
61 |
15 |
17419 |
531.6 |
-2.4 |
0.299 |
9 |
4 |
0 |
0.000 |
12 |
|
K |
57 |
16 |
17734 |
◊ |
G |
-x,y,-z |
2_555 |
60 |
14 |
17528 |
525.5 |
-2.5 |
0.267 |
10 |
4 |
0 |
0.000 |
| Average: |
531.3 |
-2.7 |
0.289 |
9 |
4 |
0 |
0.000 |
| 5 |
13 |
|
L |
59 |
13 |
15193 |
◊ |
F |
-x,y,-z+1 |
2_556 |
66 |
16 |
15024 |
531.1 |
1.1 |
0.724 |
11 |
3 |
0 |
0.000 |
14 |
|
J |
57 |
13 |
15010 |
◊ |
B |
x,y,z |
1_555 |
63 |
17 |
14723 |
527.3 |
0.3 |
0.757 |
11 |
3 |
0 |
0.000 |
| Average: |
529.2 |
0.7 |
0.741 |
11 |
3 |
0 |
0.000 |
| 6 |
15 |
|
[GRG]H:1724 |
28 |
1 |
777 |
f |
H |
x,y,z |
1_555 |
64 |
26 |
14922 |
453.9 |
-5.0 |
0.343 |
5 |
0 |
0 |
0.076 |
16 |
|
[GRG]F:1723 |
28 |
1 |
773 |
f |
F |
x,y,z |
1_555 |
63 |
26 |
15024 |
452.9 |
-5.0 |
0.314 |
5 |
0 |
0 |
0.076 |
17 |
|
[GRG]B:1721 |
29 |
1 |
774 |
f |
B |
x,y,z |
1_555 |
63 |
26 |
14723 |
451.3 |
-5.0 |
0.344 |
5 |
0 |
0 |
0.076 |
18 |
|
[GRG]D:1722 |
29 |
1 |
775 |
f |
D |
x,y,z |
1_555 |
61 |
26 |
14951 |
451.0 |
-4.9 |
0.301 |
5 |
0 |
0 |
0.076 |
19 |
|
[GRG]J:1725 |
28 |
1 |
773 |
f |
J |
x,y,z |
1_555 |
62 |
26 |
15010 |
434.8 |
-4.7 |
0.294 |
5 |
0 |
0 |
0.076 |
20 |
|
[GRG]L:1726 |
28 |
1 |
774 |
f |
L |
x,y,z |
1_555 |
63 |
26 |
15193 |
432.4 |
-4.4 |
0.293 |
5 |
0 |
0 |
0.076 |
| Average: |
446.0 |
-4.8 |
0.315 |
5 |
0 |
0 |
0.076 |
| 7 |
21 |
|
K |
47 |
15 |
17734 |
◊ |
K |
-x,y,-z |
2_555 |
47 |
15 |
17734 |
416.4 |
2.6 |
0.811 |
6 |
2 |
0 |
0.000 |
22 |
|
E |
39 |
12 |
17428 |
◊ |
C |
x,y,z |
1_555 |
40 |
12 |
17419 |
354.7 |
0.8 |
0.737 |
6 |
2 |
0 |
0.000 |
23 |
|
G |
35 |
12 |
17528 |
◊ |
A |
x,y,z |
1_555 |
38 |
12 |
17320 |
343.8 |
1.7 |
0.804 |
5 |
2 |
0 |
0.000 |
| Average: |
371.6 |
1.7 |
0.784 |
6 |
2 |
0 |
0.000 |
| 8 |
24 |
|
[GER]N:1727 |
20 |
1 |
615 |
◊ |
L |
x,y,z |
1_555 |
50 |
17 |
15193 |
400.1 |
3.6 |
0.233 |
0 |
0 |
0 |
0.000 |
25 |
|
[GER]M:1727 |
20 |
1 |
615 |
◊ |
J |
x,y,z |
1_555 |
49 |
18 |
15010 |
399.4 |
3.8 |
0.252 |
0 |
0 |
0 |
0.000 |
| Average: |
399.7 |
3.7 |
0.242 |
0 |
0 |
0 |
0.000 |
| 9 |
26 |
|
I |
42 |
11 |
17610 |
◊ |
I |
-x+1,y,-z+2 |
2_657 |
42 |
11 |
17610 |
400.0 |
2.4 |
0.813 |
6 |
4 |
0 |
0.000 |
| 10 |
27 |
|
D |
49 |
12 |
14951 |
◊ |
K |
x,y,z |
1_555 |
33 |
9 |
17734 |
373.3 |
3.7 |
0.825 |
9 |
2 |
0 |
0.000 |
28 |
|
H |
38 |
11 |
14922 |
◊ |
I |
-x+1,y,-z+1 |
2_656 |
27 |
6 |
17610 |
281.2 |
2.9 |
0.841 |
5 |
2 |
0 |
0.000 |
| Average: |
327.2 |
3.3 |
0.833 |
7 |
2 |
0 |
0.000 |
| 11 |
29 |
|
M |
18 |
4 |
629 |
◊ |
J |
x,y,z |
1_555 |
32 |
17 |
15010 |
268.7 |
-5.3 |
0.406 |
1 |
0 |
0 |
0.052 |
30 |
|
N |
19 |
4 |
629 |
◊ |
L |
x,y,z |
1_555 |
34 |
18 |
15193 |
268.2 |
-5.3 |
0.410 |
1 |
0 |
0 |
0.052 |
| Average: |
268.5 |
-5.3 |
0.408 |
1 |
0 |
0 |
0.052 |
| 12 |
31 |
|
[GRG]L:1726 |
16 |
1 |
774 |
◊ |
N |
x,y,z |
1_555 |
11 |
3 |
629 |
110.1 |
-1.6 |
0.667 |
0 |
0 |
0 |
0.014 |
32 |
|
[GRG]J:1725 |
16 |
1 |
773 |
◊ |
M |
x,y,z |
1_555 |
11 |
3 |
629 |
106.3 |
-1.5 |
0.675 |
0 |
0 |
0 |
0.014 |
| Average: |
108.2 |
-1.6 |
0.671 |
0 |
0 |
0 |
0.014 |
| 13 |
33 |
|
[GRG]B:1721 |
8 |
1 |
774 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
17320 |
108.0 |
1.0 |
0.693 |
2 |
0 |
0 |
0.006 |
34 |
|
[GRG]H:1724 |
8 |
1 |
777 |
◊ |
G |
x,y,z |
1_555 |
16 |
6 |
17528 |
107.9 |
0.3 |
0.569 |
2 |
0 |
0 |
0.006 |
35 |
|
[GRG]D:1722 |
8 |
1 |
775 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
17419 |
107.3 |
0.9 |
0.686 |
2 |
0 |
0 |
0.006 |
36 |
|
[GRG]F:1723 |
8 |
1 |
773 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
17428 |
106.4 |
0.9 |
0.686 |
2 |
0 |
0 |
0.006 |
37 |
|
[GRG]J:1725 |
8 |
1 |
773 |
◊ |
I |
x,y,z |
1_555 |
15 |
6 |
17610 |
105.2 |
0.7 |
0.654 |
2 |
0 |
0 |
0.006 |
38 |
|
[GRG]L:1726 |
8 |
1 |
774 |
◊ |
K |
x,y,z |
1_555 |
15 |
6 |
17734 |
104.6 |
0.7 |
0.654 |
2 |
0 |
0 |
0.006 |
| Average: |
106.6 |
0.8 |
0.657 |
2 |
0 |
0 |
0.006 |
| 14 |
39 |
|
K |
13 |
4 |
17734 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17419 |
93.1 |
0.5 |
0.709 |
1 |
2 |
0 |
0.000 |
40 |
|
I |
10 |
3 |
17610 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
8 |
3 |
17528 |
91.6 |
2.4 |
0.905 |
4 |
4 |
0 |
0.000 |
| Average: |
92.4 |
1.4 |
0.807 |
3 |
3 |
0 |
0.000 |
| 15 |
41 |
|
L |
12 |
4 |
15193 |
◊ |
L |
-x,y,-z |
2_555 |
12 |
4 |
15193 |
90.4 |
3.1 |
0.925 |
2 |
2 |
0 |
0.000 |
42 |
|
H |
13 |
6 |
14922 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
14723 |
84.1 |
2.0 |
0.890 |
2 |
2 |
0 |
0.000 |
43 |
|
F |
2 |
2 |
15024 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
14951 |
31.5 |
0.8 |
0.815 |
1 |
1 |
0 |
0.000 |
| Average: |
68.7 |
2.0 |
0.877 |
2 |
2 |
0 |
0.000 |
| 16 |
44 |
|
M |
11 |
4 |
629 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
17610 |
79.9 |
-0.0 |
0.622 |
1 |
0 |
0 |
0.004 |
45 |
|
N |
10 |
4 |
629 |
◊ |
K |
x,y,z |
1_555 |
12 |
5 |
17734 |
76.5 |
-0.0 |
0.615 |
1 |
0 |
0 |
0.004 |
| Average: |
78.2 |
-0.0 |
0.619 |
1 |
0 |
0 |
0.004 |
| 17 |
46 |
|
[CL]K:1717 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
13 |
5 |
17734 |
78.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.100 |
47 |
|
[CL]G:1711 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
17528 |
78.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.100 |
48 |
|
[CL]C:1705 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
17419 |
76.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
77.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 18 |
49 |
|
[GER]M:1727 |
4 |
1 |
615 |
cf |
M |
x,y,z |
1_555 |
8 |
3 |
629 |
75.8 |
1.9 |
0.681 |
0 |
0 |
0 |
0.000 |
50 |
|
[GER]N:1727 |
4 |
1 |
615 |
cf |
N |
x,y,z |
1_555 |
8 |
3 |
629 |
75.5 |
1.9 |
0.677 |
0 |
0 |
0 |
0.000 |
| Average: |
75.7 |
1.9 |
0.679 |
0 |
0 |
0 |
0.000 |
| 19 |
51 |
|
[CL]B:1702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14723 |
72.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.118 |
52 |
|
[CL]F:1709 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
16 |
4 |
15024 |
71.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.118 |
53 |
|
[CL]H:1712 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
17 |
4 |
14922 |
71.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.118 |
54 |
|
[CL]L:1718 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
16 |
4 |
15193 |
70.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.118 |
55 |
|
[CL]D:1706 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
14951 |
70.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.118 |
56 |
|
[CL]J:1715 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
4 |
15010 |
70.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
71.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.118 |
| 20 |
57 |
|
[ZN]D:378 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
6 |
5 |
14951 |
49.5 |
-36.8 |
0.000 |
0 |
0 |
0 |
0.382 |
58 |
|
[ZN]H:378 |
1 |
1 |
98 |
cf |
H |
x,y,z |
1_555 |
4 |
4 |
14922 |
49.4 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.382 |
59 |
|
[ZN]F:378 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
5 |
4 |
15024 |
49.4 |
-37.1 |
0.000 |
0 |
0 |
0 |
0.382 |
60 |
|
[ZN]B:378 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
5 |
4 |
14723 |
49.3 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.382 |
61 |
|
[ZN]L:378 |
1 |
1 |
98 |
cf |
L |
x,y,z |
1_555 |
5 |
4 |
15193 |
49.2 |
-36.9 |
0.000 |
0 |
0 |
0 |
0.382 |
62 |
|
[ZN]J:378 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
5 |
4 |
15010 |
49.1 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.382 |
| Average: |
49.3 |
-36.6 |
0.000 |
0 |
0 |
0 |
0.382 |
| 21 |
63 |
|
J |
2 |
2 |
15010 |
◊ |
J |
-x+1,y,-z+2 |
2_657 |
2 |
2 |
15010 |
37.9 |
1.3 |
0.947 |
0 |
0 |
0 |
0.000 |
| 22 |
64 |
|
D |
3 |
2 |
14951 |
◊ |
D |
-x,y,-z+1 |
2_556 |
3 |
2 |
14951 |
31.7 |
-1.0 |
0.153 |
0 |
0 |
0 |
0.000 |
| 23 |
65 |
|
J |
7 |
3 |
15010 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
3 |
2 |
14922 |
22.7 |
0.4 |
0.756 |
1 |
0 |
0 |
0.000 |
66 |
|
L |
3 |
3 |
15193 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14951 |
17.4 |
0.2 |
0.736 |
0 |
0 |
0 |
0.000 |
| Average: |
20.1 |
0.3 |
0.746 |
1 |
0 |
0 |
0.000 |
| 24 |
67 |
|
[CL]K:1717 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17320 |
17.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[CL]C:1705 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
17610 |
17.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[CL]G:1711 |
1 |
1 |
125 |
◊ |
K |
-x,y,-z |
2_555 |
2 |
1 |
17734 |
16.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
17.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
70 |
|
[ZN]L:378 |
1 |
1 |
98 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
629 |
6.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
71 |
|
[ZN]J:378 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
629 |
5.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
6.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 26 |
72 |
|
[GER]M:1727 |
1 |
1 |
615 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
17610 |
5.7 |
0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
73 |
|
[GER]N:1727 |
1 |
1 |
615 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
17734 |
5.7 |
0.1 |
0.422 |
0 |
0 |
0 |
0.000 |
| Average: |
5.7 |
0.1 |
0.422 |
0 |
0 |
0 |
0.000 |
|