| ## |
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 |
|
D |
72 |
28 |
13990 |
◊ |
C |
x,y,z |
1_555 |
74 |
28 |
14047 |
713.5 |
-0.3 |
0.602 |
7 |
2 |
0 |
0.000 |
2 |
|
B |
78 |
27 |
13978 |
◊ |
A |
x,y,z |
1_555 |
72 |
26 |
13944 |
680.3 |
-2.0 |
0.505 |
6 |
0 |
0 |
0.000 |
3 |
|
F |
73 |
27 |
14012 |
◊ |
E |
-x+1,y-1/2,-z+2 |
2_647 |
76 |
26 |
14018 |
662.2 |
-1.4 |
0.552 |
7 |
1 |
0 |
0.000 |
4 |
|
G |
74 |
26 |
13945 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
77 |
27 |
13992 |
651.7 |
-1.3 |
0.568 |
7 |
1 |
0 |
0.000 |
| Average: |
676.9 |
-1.3 |
0.557 |
7 |
1 |
0 |
0.000 |
| 2 |
5 |
|
C |
57 |
19 |
14047 |
◊ |
B |
x,y,z |
1_555 |
67 |
20 |
13978 |
572.3 |
-4.4 |
0.258 |
6 |
1 |
0 |
0.000 |
6 |
|
H |
55 |
20 |
13992 |
◊ |
E |
x,y,z |
1_555 |
59 |
17 |
14018 |
505.7 |
-4.7 |
0.222 |
3 |
0 |
0 |
0.000 |
7 |
|
G |
61 |
19 |
13945 |
◊ |
F |
x,y,z |
1_555 |
52 |
19 |
14012 |
485.2 |
-4.6 |
0.236 |
3 |
0 |
0 |
0.000 |
| Average: |
521.1 |
-4.6 |
0.239 |
4 |
0 |
0 |
0.000 |
| 3 |
8 |
|
D |
38 |
14 |
13990 |
◊ |
A |
x-1,y,z |
1_455 |
46 |
13 |
13944 |
378.6 |
-2.9 |
0.322 |
3 |
0 |
0 |
0.000 |
| 4 |
9 |
|
B |
46 |
10 |
13978 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
14 |
13978 |
374.1 |
-0.8 |
0.383 |
5 |
0 |
0 |
0.000 |
10 |
|
C |
42 |
13 |
14047 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
41 |
9 |
14047 |
366.0 |
-1.1 |
0.342 |
4 |
0 |
0 |
0.000 |
11 |
|
F |
42 |
10 |
14012 |
x |
F |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
13 |
14012 |
339.6 |
-1.1 |
0.383 |
5 |
0 |
0 |
0.000 |
12 |
|
H |
40 |
13 |
13992 |
x |
H |
-x+2,y-1/2,-z+2 |
2_747 |
42 |
10 |
13992 |
331.2 |
-1.0 |
0.377 |
5 |
0 |
0 |
0.000 |
| Average: |
352.7 |
-1.0 |
0.371 |
5 |
0 |
0 |
0.000 |
| 5 |
13 |
|
G |
28 |
11 |
13945 |
x |
G |
-x+2,y-1/2,-z+2 |
2_747 |
27 |
8 |
13945 |
240.2 |
-0.9 |
0.392 |
4 |
0 |
0 |
0.000 |
14 |
|
A |
25 |
7 |
13944 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
10 |
13944 |
227.6 |
-0.6 |
0.428 |
5 |
0 |
0 |
0.000 |
15 |
|
D |
28 |
12 |
13990 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
24 |
7 |
13990 |
225.2 |
-0.9 |
0.404 |
5 |
0 |
0 |
0.000 |
16 |
|
E |
24 |
7 |
14018 |
x |
E |
-x+1,y-1/2,-z+2 |
2_647 |
26 |
10 |
14018 |
218.2 |
-0.8 |
0.383 |
5 |
0 |
0 |
0.000 |
| Average: |
227.8 |
-0.8 |
0.402 |
5 |
0 |
0 |
0.000 |
| 6 |
17 |
|
G |
25 |
10 |
13945 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
13978 |
230.6 |
0.1 |
0.605 |
2 |
2 |
0 |
0.000 |
18 |
|
A |
22 |
7 |
13944 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
8 |
13992 |
200.1 |
-0.5 |
0.508 |
1 |
2 |
0 |
0.000 |
| Average: |
215.4 |
-0.2 |
0.556 |
2 |
2 |
0 |
0.000 |
| 7 |
19 |
|
D |
23 |
8 |
13990 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
19 |
7 |
14047 |
187.5 |
1.8 |
0.821 |
4 |
0 |
0 |
0.000 |
20 |
|
B |
20 |
6 |
13978 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
8 |
13944 |
169.9 |
1.4 |
0.777 |
4 |
0 |
0 |
0.000 |
21 |
|
G |
24 |
8 |
13945 |
◊ |
H |
x,y-1,z |
1_545 |
14 |
4 |
13992 |
166.9 |
1.2 |
0.779 |
4 |
0 |
0 |
0.000 |
22 |
|
F |
15 |
4 |
14012 |
◊ |
E |
x,y-1,z |
1_545 |
22 |
8 |
14018 |
164.1 |
1.1 |
0.757 |
3 |
0 |
0 |
0.000 |
| Average: |
172.1 |
1.4 |
0.784 |
4 |
0 |
0 |
0.000 |
| 8 |
23 |
|
E |
20 |
7 |
14018 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
14047 |
162.7 |
-0.5 |
0.516 |
0 |
0 |
0 |
0.000 |
24 |
|
F |
15 |
6 |
14012 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
13990 |
95.2 |
0.9 |
0.693 |
0 |
0 |
0 |
0.000 |
| Average: |
129.0 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
| 9 |
25 |
|
D |
19 |
7 |
13990 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
18 |
8 |
13978 |
125.2 |
1.8 |
0.805 |
1 |
0 |
0 |
0.000 |
| 10 |
26 |
|
G |
13 |
8 |
13945 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
9 |
13990 |
111.1 |
1.2 |
0.768 |
2 |
0 |
0 |
0.000 |
| 11 |
27 |
|
C |
8 |
3 |
14047 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
13944 |
83.1 |
1.1 |
0.807 |
3 |
0 |
0 |
0.000 |
| 12 |
28 |
|
C |
8 |
3 |
14047 |
◊ |
G |
x-1,y,z |
1_455 |
10 |
5 |
13945 |
80.8 |
0.4 |
0.677 |
1 |
0 |
0 |
0.000 |
| 13 |
29 |
|
D |
6 |
3 |
13990 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
13978 |
78.5 |
1.1 |
0.827 |
2 |
0 |
0 |
0.000 |
| 14 |
30 |
|
F |
9 |
3 |
14012 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
2 |
13992 |
76.7 |
0.8 |
0.768 |
1 |
0 |
0 |
0.000 |
31 |
|
F |
8 |
2 |
14012 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
2 |
13992 |
74.4 |
1.0 |
0.789 |
1 |
0 |
0 |
0.000 |
| Average: |
75.5 |
0.9 |
0.778 |
1 |
0 |
0 |
0.000 |
| 15 |
32 |
|
D |
14 |
6 |
13990 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
13992 |
76.7 |
0.6 |
0.715 |
1 |
0 |
0 |
0.000 |
| 16 |
33 |
|
C |
13 |
5 |
14047 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
6 |
13944 |
75.7 |
0.6 |
0.668 |
1 |
0 |
0 |
0.000 |
| 17 |
34 |
|
[NA]H:401 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
13992 |
59.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
35 |
|
[NA]G:401 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
13945 |
49.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
54.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| 18 |
36 |
|
G |
14 |
5 |
13945 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
13944 |
55.5 |
0.5 |
0.697 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[NI]F:401 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
14012 |
53.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.100 |
38 |
|
[NI]B:401 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13978 |
51.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
52.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| 20 |
39 |
|
G |
7 |
3 |
13945 |
◊ |
E |
x,y-1,z |
1_545 |
9 |
4 |
14018 |
52.7 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
| 21 |
40 |
|
H |
5 |
2 |
13992 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
14012 |
51.7 |
1.2 |
0.880 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
C |
7 |
4 |
14047 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
13990 |
47.8 |
1.0 |
0.816 |
0 |
0 |
0 |
0.000 |
42 |
|
H |
3 |
3 |
13992 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
13945 |
42.5 |
0.7 |
0.789 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
3 |
2 |
13944 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
13978 |
34.6 |
0.6 |
0.825 |
0 |
0 |
0 |
0.000 |
44 |
|
F |
2 |
2 |
14012 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
14018 |
29.1 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
| Average: |
38.5 |
0.7 |
0.804 |
0 |
0 |
0 |
0.000 |
| 23 |
45 |
|
[NI]B:401 |
1 |
1 |
115 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
13944 |
40.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[NI]F:401 |
1 |
1 |
115 |
◊ |
E |
x,y-1,z |
1_545 |
10 |
2 |
14018 |
37.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
39.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
47 |
|
G |
7 |
2 |
13945 |
◊ |
[NA]H:401 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
38.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
48 |
|
D |
6 |
2 |
13990 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
10 |
3 |
14018 |
30.8 |
0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
| 26 |
49 |
|
C |
2 |
2 |
14047 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
13944 |
20.5 |
0.3 |
0.733 |
0 |
0 |
0 |
0.000 |
| 27 |
50 |
|
H |
1 |
1 |
13992 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13978 |
16.2 |
0.4 |
0.855 |
0 |
0 |
0 |
0.000 |
| 28 |
51 |
|
D |
3 |
2 |
13990 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13944 |
11.6 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
| 29 |
52 |
|
C |
1 |
1 |
14047 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
13992 |
1.5 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
|