| ## |
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 |
75 |
18 |
9789 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
77 |
18 |
9876 |
791.5 |
-10.9 |
0.175 |
4 |
6 |
0 |
0.113 |
2 |
|
A |
84 |
20 |
9683 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
78 |
20 |
9786 |
772.5 |
-11.2 |
0.198 |
6 |
6 |
0 |
0.113 |
| Average: |
782.0 |
-11.1 |
0.187 |
5 |
6 |
0 |
0.113 |
| 2 |
3 |
|
L |
58 |
12 |
2052 |
◊ |
B |
x,y,z |
1_555 |
74 |
22 |
9789 |
688.4 |
-7.2 |
0.363 |
9 |
7 |
0 |
0.202 |
4 |
|
M |
54 |
11 |
1930 |
◊ |
E |
x,y,z |
1_555 |
74 |
22 |
9876 |
685.4 |
-9.6 |
0.263 |
6 |
4 |
0 |
0.202 |
5 |
|
K |
61 |
12 |
2054 |
◊ |
A |
x,y,z |
1_555 |
71 |
21 |
9683 |
657.9 |
-9.3 |
0.224 |
5 |
2 |
0 |
0.202 |
6 |
|
O |
55 |
12 |
1915 |
◊ |
F |
x,y,z |
1_555 |
69 |
21 |
9786 |
648.2 |
-10.5 |
0.266 |
7 |
6 |
0 |
0.202 |
| Average: |
670.0 |
-9.2 |
0.279 |
7 |
5 |
0 |
0.202 |
| 3 |
7 |
|
O |
55 |
12 |
1915 |
◊ |
E |
x,y,z |
1_555 |
61 |
20 |
9876 |
625.4 |
-13.4 |
0.092 |
2 |
2 |
0 |
0.224 |
8 |
|
L |
55 |
12 |
2052 |
◊ |
A |
x,y,z |
1_555 |
60 |
20 |
9683 |
609.4 |
-10.2 |
0.175 |
5 |
4 |
0 |
0.224 |
9 |
|
K |
55 |
11 |
2054 |
◊ |
B |
x,y,z |
1_555 |
59 |
21 |
9789 |
598.2 |
-10.7 |
0.152 |
5 |
4 |
0 |
0.224 |
10 |
|
M |
56 |
12 |
1930 |
◊ |
F |
x,y,z |
1_555 |
63 |
20 |
9786 |
579.4 |
-12.2 |
0.165 |
3 |
2 |
0 |
0.224 |
| Average: |
603.1 |
-11.6 |
0.146 |
4 |
3 |
0 |
0.224 |
| 4 |
11 |
|
F |
60 |
22 |
9786 |
◊ |
E |
x,y,z |
1_555 |
60 |
22 |
9876 |
550.7 |
-4.6 |
0.450 |
3 |
1 |
0 |
0.035 |
| 5 |
12 |
|
B |
51 |
15 |
9789 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
54 |
17 |
9683 |
471.5 |
0.8 |
0.790 |
4 |
4 |
0 |
0.000 |
| 6 |
13 |
|
B |
42 |
16 |
9789 |
◊ |
A |
x,y,z |
1_555 |
53 |
17 |
9683 |
453.1 |
-1.0 |
0.654 |
5 |
0 |
0 |
0.020 |
| 7 |
14 |
|
B |
38 |
12 |
9789 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
36 |
13 |
9786 |
364.9 |
-0.5 |
0.653 |
2 |
8 |
0 |
0.000 |
| 8 |
15 |
|
B |
30 |
7 |
9789 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
35 |
10 |
9683 |
260.4 |
0.6 |
0.781 |
4 |
4 |
0 |
0.006 |
| 9 |
16 |
|
A |
29 |
9 |
9683 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
29 |
8 |
9786 |
242.4 |
-0.4 |
0.645 |
1 |
0 |
0 |
0.000 |
| 10 |
17 |
|
F |
34 |
10 |
9786 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
26 |
12 |
9876 |
233.6 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
B |
23 |
8 |
9789 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
7 |
9789 |
202.9 |
-1.1 |
0.569 |
1 |
1 |
0 |
0.000 |
| 12 |
19 |
|
A |
18 |
6 |
9683 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
21 |
5 |
9876 |
192.7 |
1.2 |
0.673 |
3 |
3 |
0 |
0.000 |
| 13 |
20 |
|
A |
20 |
6 |
9683 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
6 |
9876 |
171.1 |
0.1 |
0.729 |
3 |
0 |
0 |
0.000 |
| 14 |
21 |
|
B |
15 |
6 |
9789 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
9786 |
137.1 |
-0.2 |
0.639 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
F |
10 |
3 |
9786 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
13 |
4 |
1930 |
101.8 |
1.4 |
0.862 |
2 |
3 |
0 |
0.000 |
| 16 |
23 |
|
F |
6 |
3 |
9786 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
9789 |
69.4 |
0.2 |
0.624 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
F |
10 |
3 |
9786 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
10 |
3 |
9876 |
60.5 |
-0.3 |
0.585 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
A |
5 |
3 |
9683 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
9789 |
44.7 |
-1.0 |
0.295 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[CA]E:1149 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
9876 |
43.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.212 |
27 |
|
[CA]B:1149 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9789 |
43.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.212 |
28 |
|
[CA]F:1149 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
9786 |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.212 |
29 |
|
[CA]A:1149 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9683 |
43.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.212 |
| Average: |
43.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.212 |
| 20 |
30 |
|
[CA]F:1148 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
9786 |
43.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
31 |
|
[CA]E:1148 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
9876 |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
32 |
|
[CA]B:1148 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9789 |
43.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
33 |
|
[CA]A:1148 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9683 |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
43.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.213 |
| 21 |
34 |
|
[CA]A:1150 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9683 |
43.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.210 |
35 |
|
[CA]F:1150 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
9786 |
43.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.210 |
36 |
|
[CA]B:1150 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9789 |
43.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.210 |
37 |
|
[CA]E:1150 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
9876 |
42.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.210 |
| Average: |
43.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.210 |
| 22 |
38 |
|
[CA]E:1151 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
9876 |
43.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.214 |
39 |
|
[CA]A:1151 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9683 |
43.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.214 |
40 |
|
[CA]B:1151 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
9789 |
43.1 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.214 |
41 |
|
[CA]F:1151 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
3 |
3 |
9786 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.214 |
| Average: |
43.3 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.214 |
| 23 |
42 |
|
F |
7 |
4 |
9786 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9683 |
43.3 |
1.3 |
0.814 |
1 |
0 |
0 |
0.000 |
| 24 |
43 |
|
B |
4 |
2 |
9789 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9786 |
38.8 |
0.4 |
0.779 |
1 |
0 |
0 |
0.000 |
| 25 |
44 |
|
[CA]F:1152 |
1 |
1 |
85 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
8 |
5 |
9876 |
38.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[CA]B:1152 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9789 |
36.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
37.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
46 |
|
B |
3 |
1 |
9789 |
◊ |
O |
-x,y-1/2,-z |
2_545 |
6 |
3 |
1915 |
36.0 |
-0.0 |
0.695 |
0 |
0 |
0 |
0.000 |
| 27 |
47 |
|
[CA]F:1152 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
9786 |
32.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.091 |
48 |
|
[CA]B:1154 |
1 |
1 |
85 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
9683 |
31.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
32.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.091 |
| 28 |
49 |
|
L |
5 |
1 |
2052 |
◊ |
K |
x,y,z |
1_555 |
5 |
1 |
2054 |
31.4 |
0.9 |
0.795 |
0 |
0 |
0 |
0.000 |
| 29 |
50 |
|
A |
7 |
3 |
9683 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
9683 |
31.2 |
-0.7 |
0.422 |
0 |
0 |
0 |
0.000 |
| 30 |
51 |
|
O |
2 |
1 |
1915 |
◊ |
M |
x,y,z |
1_555 |
3 |
1 |
1930 |
29.8 |
1.6 |
0.909 |
0 |
0 |
0 |
0.000 |
| 31 |
52 |
|
[CA]B:1153 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9789 |
27.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.066 |
| 32 |
53 |
|
[CA]B:1152 |
1 |
1 |
85 |
f |
F |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
9786 |
27.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.059 |
| 33 |
54 |
|
F |
3 |
1 |
9786 |
x |
F |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9786 |
19.5 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
| 34 |
55 |
|
[CA]B:1154 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9789 |
14.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 35 |
56 |
|
[CA]B:1153 |
1 |
1 |
85 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
9789 |
13.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
57 |
|
[CA]B:1153 |
1 |
1 |
85 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
9683 |
7.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 37 |
58 |
|
O |
1 |
1 |
1915 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
3 |
2 |
9876 |
7.2 |
0.3 |
0.742 |
0 |
0 |
0 |
0.000 |
| 38 |
59 |
|
B |
1 |
1 |
9789 |
◊ |
F |
x,y-1,z+1 |
1_546 |
1 |
1 |
9786 |
6.4 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
| 39 |
60 |
|
F |
2 |
1 |
9786 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
9683 |
4.4 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| 40 |
61 |
|
B |
1 |
1 |
9789 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
9876 |
1.2 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
| 41 |
62 |
|
K |
1 |
1 |
2054 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
9683 |
0.4 |
0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
|