| ## |
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 |
87 |
20 |
2969 |
◊ |
K |
x,y,z |
1_555 |
77 |
19 |
2039 |
847.0 |
-15.6 |
0.544 |
11 |
0 |
2 |
1.000 |
2 |
|
D |
86 |
21 |
2941 |
◊ |
C |
x,y,z |
1_555 |
79 |
19 |
2080 |
842.0 |
-16.8 |
0.480 |
10 |
1 |
2 |
1.000 |
3 |
|
H |
80 |
20 |
3020 |
◊ |
G |
x,y,z |
1_555 |
77 |
17 |
1980 |
773.1 |
-15.4 |
0.551 |
10 |
0 |
2 |
1.000 |
4 |
|
J |
77 |
20 |
2893 |
◊ |
I |
x,y,z |
1_555 |
80 |
17 |
2058 |
745.0 |
-15.7 |
0.513 |
9 |
0 |
2 |
1.000 |
5 |
|
B |
81 |
21 |
2949 |
◊ |
A |
x,y,z |
1_555 |
72 |
17 |
2010 |
737.9 |
-16.1 |
0.516 |
10 |
0 |
2 |
1.000 |
6 |
|
F |
77 |
20 |
2844 |
◊ |
E |
x,y,z |
1_555 |
74 |
17 |
2043 |
734.8 |
-16.1 |
0.515 |
10 |
0 |
2 |
1.000 |
| Average: |
780.0 |
-15.9 |
0.520 |
10 |
0 |
2 |
1.000 |
| 2 |
7 |
|
L |
56 |
14 |
2969 |
◊ |
J |
x,y,z |
1_555 |
59 |
14 |
2893 |
545.1 |
-9.0 |
0.714 |
4 |
0 |
0 |
1.000 |
8 |
|
D |
56 |
14 |
2941 |
◊ |
B |
x,y,z |
1_555 |
58 |
14 |
2949 |
532.7 |
-8.6 |
0.811 |
4 |
0 |
0 |
1.000 |
9 |
|
H |
55 |
14 |
3020 |
◊ |
F |
x,y,z |
1_555 |
57 |
14 |
2844 |
517.1 |
-9.3 |
0.725 |
4 |
0 |
0 |
1.000 |
| Average: |
531.6 |
-9.0 |
0.750 |
4 |
0 |
0 |
1.000 |
| 3 |
10 |
|
L |
53 |
14 |
2969 |
◊ |
B |
x,y,z |
1_555 |
46 |
13 |
2949 |
471.2 |
-8.4 |
0.640 |
2 |
0 |
0 |
1.000 |
11 |
|
F |
44 |
12 |
2844 |
◊ |
D |
x,y,z |
1_555 |
48 |
14 |
2941 |
465.0 |
-7.8 |
0.720 |
1 |
0 |
0 |
1.000 |
12 |
|
J |
45 |
13 |
2893 |
◊ |
H |
x,y,z |
1_555 |
49 |
14 |
3020 |
456.8 |
-8.3 |
0.593 |
5 |
0 |
0 |
1.000 |
| Average: |
464.3 |
-8.2 |
0.651 |
3 |
0 |
0 |
1.000 |
| 4 |
13 |
|
I |
19 |
5 |
2058 |
◊ |
C |
x,y-1,z |
1_545 |
23 |
6 |
2080 |
165.0 |
0.1 |
0.854 |
1 |
0 |
0 |
0.000 |
14 |
|
E |
18 |
5 |
2043 |
◊ |
K |
x,y,z-1 |
1_554 |
21 |
6 |
2039 |
163.5 |
-0.2 |
0.833 |
2 |
0 |
0 |
0.000 |
15 |
|
G |
20 |
4 |
1980 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
18 |
4 |
2010 |
134.9 |
-0.7 |
0.817 |
0 |
0 |
0 |
0.000 |
| Average: |
154.5 |
-0.3 |
0.835 |
1 |
0 |
0 |
0.000 |
| 5 |
16 |
|
J |
15 |
3 |
2893 |
◊ |
G |
x,y,z |
1_555 |
17 |
3 |
1980 |
137.4 |
-2.9 |
0.500 |
1 |
1 |
0 |
0.087 |
17 |
|
L |
13 |
3 |
2969 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
2010 |
135.0 |
-2.9 |
0.463 |
0 |
1 |
0 |
0.087 |
18 |
|
F |
16 |
3 |
2844 |
◊ |
C |
x,y,z |
1_555 |
21 |
4 |
2080 |
132.3 |
-2.7 |
0.581 |
1 |
1 |
0 |
0.087 |
19 |
|
B |
14 |
3 |
2949 |
◊ |
K |
x,y,z |
1_555 |
15 |
3 |
2039 |
127.4 |
-2.5 |
0.526 |
1 |
1 |
0 |
0.087 |
20 |
|
H |
13 |
3 |
3020 |
◊ |
I |
x,y,z |
1_555 |
17 |
4 |
2058 |
125.9 |
-2.8 |
0.412 |
0 |
1 |
0 |
0.087 |
21 |
|
D |
13 |
3 |
2941 |
◊ |
E |
x,y,z |
1_555 |
17 |
4 |
2043 |
121.5 |
-2.4 |
0.489 |
0 |
1 |
0 |
0.087 |
| Average: |
129.9 |
-2.7 |
0.495 |
1 |
1 |
0 |
0.087 |
| 6 |
22 |
|
H |
10 |
2 |
3020 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
13 |
4 |
2010 |
91.4 |
-1.3 |
0.533 |
1 |
0 |
0 |
0.000 |
23 |
|
I |
11 |
4 |
2058 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
2 |
2941 |
90.5 |
-0.7 |
0.647 |
1 |
0 |
0 |
0.000 |
24 |
|
E |
14 |
4 |
2043 |
◊ |
L |
x,y,z-1 |
1_554 |
10 |
2 |
2969 |
89.9 |
-1.0 |
0.587 |
1 |
0 |
0 |
0.000 |
| Average: |
90.6 |
-1.0 |
0.589 |
1 |
0 |
0 |
0.000 |
| 7 |
25 |
|
K |
8 |
3 |
2039 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
2010 |
89.9 |
-1.8 |
0.484 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
7 |
3 |
2080 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
3 |
2043 |
88.7 |
-1.9 |
0.382 |
0 |
0 |
0 |
0.000 |
27 |
|
G |
7 |
3 |
1980 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
3 |
2058 |
85.7 |
-1.8 |
0.440 |
0 |
0 |
0 |
0.000 |
| Average: |
88.1 |
-1.8 |
0.435 |
0 |
0 |
0 |
0.000 |
| 8 |
28 |
|
H |
8 |
3 |
3020 |
◊ |
I |
x-1,y,z |
1_455 |
9 |
4 |
2058 |
76.2 |
-0.8 |
0.625 |
1 |
0 |
0 |
0.000 |
29 |
|
D |
8 |
3 |
2941 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
4 |
2043 |
76.2 |
-0.7 |
0.684 |
1 |
0 |
0 |
0.000 |
30 |
|
L |
8 |
3 |
2969 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
4 |
2010 |
75.7 |
-0.6 |
0.679 |
1 |
0 |
0 |
0.000 |
31 |
|
G |
3 |
3 |
1980 |
◊ |
J |
x-1,y,z |
1_455 |
6 |
2 |
2893 |
23.5 |
1.0 |
0.902 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
3 |
3 |
2080 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
2 |
2844 |
22.0 |
0.4 |
0.832 |
0 |
0 |
0 |
0.000 |
33 |
|
K |
2 |
2 |
2039 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
2949 |
19.9 |
0.4 |
0.843 |
0 |
0 |
0 |
0.000 |
| Average: |
48.9 |
-0.1 |
0.761 |
1 |
0 |
0 |
0.000 |
| 9 |
34 |
|
H |
6 |
1 |
3020 |
◊ |
J |
x-1,y,z |
1_455 |
6 |
1 |
2893 |
51.4 |
-0.8 |
0.572 |
0 |
0 |
0 |
0.000 |
35 |
|
L |
6 |
1 |
2969 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
1 |
2949 |
47.2 |
-0.6 |
0.648 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
4 |
1 |
2941 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
1 |
2844 |
41.5 |
-0.8 |
0.582 |
0 |
0 |
0 |
0.000 |
| Average: |
46.7 |
-0.7 |
0.601 |
0 |
0 |
0 |
0.000 |
| 10 |
37 |
|
J |
5 |
2 |
2893 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
2949 |
51.3 |
-0.7 |
0.511 |
0 |
0 |
0 |
0.030 |
38 |
|
L |
3 |
1 |
2969 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
2941 |
51.1 |
-0.8 |
0.499 |
0 |
0 |
0 |
0.030 |
39 |
|
F |
3 |
1 |
2844 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
2949 |
49.9 |
-0.1 |
0.748 |
0 |
0 |
0 |
0.030 |
40 |
|
J |
3 |
1 |
2893 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
2844 |
49.8 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.030 |
41 |
|
L |
5 |
2 |
2969 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3020 |
49.7 |
-0.2 |
0.683 |
0 |
0 |
0 |
0.030 |
42 |
|
H |
5 |
2 |
3020 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2941 |
48.0 |
-0.2 |
0.681 |
0 |
0 |
0 |
0.030 |
| Average: |
50.0 |
-0.4 |
0.640 |
0 |
0 |
0 |
0.030 |
| 11 |
43 |
|
E |
5 |
2 |
2043 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
2080 |
49.1 |
-0.3 |
0.577 |
1 |
0 |
0 |
0.011 |
44 |
|
I |
6 |
2 |
2058 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
1980 |
47.0 |
-0.8 |
0.492 |
0 |
0 |
0 |
0.011 |
45 |
|
K |
5 |
2 |
2039 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
2010 |
32.8 |
-0.8 |
0.448 |
0 |
0 |
0 |
0.011 |
| Average: |
43.0 |
-0.6 |
0.506 |
0 |
0 |
0 |
0.011 |
| 12 |
46 |
|
F |
6 |
3 |
2844 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1980 |
49.0 |
0.4 |
0.844 |
1 |
0 |
0 |
0.008 |
47 |
|
J |
8 |
3 |
2893 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
2039 |
45.5 |
0.4 |
0.847 |
1 |
0 |
0 |
0.008 |
48 |
|
D |
5 |
2 |
2941 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2010 |
40.6 |
0.1 |
0.754 |
1 |
0 |
0 |
0.008 |
49 |
|
L |
5 |
3 |
2969 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2058 |
39.8 |
0.2 |
0.745 |
1 |
0 |
0 |
0.008 |
50 |
|
B |
6 |
3 |
2949 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2080 |
39.3 |
0.2 |
0.808 |
0 |
0 |
0 |
0.008 |
51 |
|
H |
5 |
3 |
3020 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2043 |
38.7 |
0.3 |
0.799 |
2 |
0 |
0 |
0.008 |
| Average: |
42.2 |
0.3 |
0.799 |
1 |
0 |
0 |
0.008 |
| 13 |
52 |
|
I |
7 |
3 |
2058 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
2949 |
47.2 |
-1.1 |
0.366 |
0 |
0 |
0 |
0.000 |
53 |
|
F |
3 |
1 |
2844 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
6 |
2 |
2010 |
44.1 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.000 |
54 |
|
E |
5 |
2 |
2043 |
◊ |
J |
x,y,z-1 |
1_554 |
2 |
1 |
2893 |
26.6 |
-0.4 |
0.474 |
0 |
0 |
0 |
0.000 |
| Average: |
39.3 |
-0.8 |
0.413 |
0 |
0 |
0 |
0.000 |
| 14 |
55 |
|
[ZN]B:1301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
2844 |
31.9 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.976 |
56 |
|
[ZN]D:1302 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
3020 |
31.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.976 |
57 |
|
[ZN]D:1302 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
2941 |
31.1 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.976 |
58 |
|
[ZN]D:1302 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
2969 |
31.1 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.976 |
59 |
|
[ZN]B:1301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
2949 |
31.1 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.976 |
60 |
|
[ZN]B:1301 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
2893 |
30.5 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.976 |
| Average: |
31.2 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.976 |
| 15 |
61 |
|
G |
4 |
3 |
1980 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
3020 |
31.1 |
-0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
62 |
|
K |
1 |
1 |
2039 |
◊ |
L |
x-1,y,z |
1_455 |
1 |
1 |
2969 |
13.0 |
-0.4 |
0.283 |
0 |
0 |
0 |
0.000 |
63 |
|
J |
1 |
1 |
2893 |
◊ |
I |
x-1,y,z |
1_455 |
3 |
1 |
2058 |
10.7 |
-0.3 |
0.450 |
0 |
0 |
0 |
0.000 |
64 |
|
C |
1 |
1 |
2080 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
2941 |
8.5 |
-0.3 |
0.348 |
0 |
0 |
0 |
0.000 |
65 |
|
F |
1 |
1 |
2844 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
2043 |
4.9 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
| Average: |
13.6 |
-0.2 |
0.455 |
0 |
0 |
0 |
0.000 |
| 16 |
66 |
|
C |
3 |
1 |
2080 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
2949 |
18.4 |
-0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
| 17 |
67 |
|
C |
3 |
1 |
2080 |
◊ |
K |
x,y,z-1 |
1_554 |
2 |
2 |
2039 |
17.9 |
0.3 |
0.796 |
0 |
0 |
0 |
0.000 |
68 |
|
G |
1 |
1 |
1980 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
2080 |
15.7 |
0.2 |
0.777 |
0 |
0 |
0 |
0.000 |
| Average: |
16.8 |
0.3 |
0.786 |
0 |
0 |
0 |
0.000 |
| 18 |
69 |
|
F |
3 |
1 |
2844 |
◊ |
K |
x,y,z-1 |
1_554 |
1 |
1 |
2039 |
14.5 |
0.2 |
0.804 |
0 |
0 |
0 |
0.000 |
70 |
|
J |
2 |
1 |
2893 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
2080 |
3.0 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
71 |
|
G |
1 |
1 |
1980 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
2949 |
1.9 |
0.0 |
0.738 |
0 |
0 |
0 |
0.000 |
| Average: |
6.5 |
0.1 |
0.760 |
0 |
0 |
0 |
0.000 |
| 19 |
72 |
|
K |
3 |
1 |
2039 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
2058 |
10.0 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
73 |
|
C |
1 |
1 |
2080 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
2010 |
0.3 |
-0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
| Average: |
5.1 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
| 20 |
74 |
|
I |
1 |
1 |
2058 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
2010 |
7.8 |
0.2 |
0.790 |
0 |
0 |
0 |
0.000 |
| 21 |
75 |
|
H |
1 |
1 |
3020 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
2080 |
6.8 |
0.2 |
0.789 |
0 |
0 |
0 |
0.000 |
|