## |
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 |
|
C |
146 |
40 |
12104 |
◊ |
B |
x,y,z |
1_555 |
154 |
41 |
11785 |
1436.2 |
-24.5 |
0.037 |
7 |
0 |
0 |
0.586 |
2 |
|
D |
148 |
40 |
11880 |
◊ |
A |
x,y,z |
1_555 |
152 |
42 |
11963 |
1431.3 |
-23.2 |
0.044 |
8 |
0 |
0 |
0.586 |
3 |
|
G |
150 |
41 |
11919 |
◊ |
F |
x,y,z |
1_555 |
152 |
42 |
11850 |
1422.8 |
-25.2 |
0.024 |
7 |
0 |
0 |
0.586 |
4 |
|
H |
151 |
43 |
11959 |
◊ |
E |
x,y,z |
1_555 |
148 |
41 |
11904 |
1416.3 |
-25.6 |
0.020 |
6 |
0 |
0 |
0.586 |
Average: |
1426.6 |
-24.6 |
0.031 |
7 |
0 |
0 |
0.586 |
2 |
5 |
|
H |
128 |
36 |
11959 |
◊ |
G |
x,y,z |
1_555 |
126 |
36 |
11919 |
1205.4 |
-15.8 |
0.167 |
10 |
0 |
0 |
0.591 |
6 |
|
B |
130 |
35 |
11785 |
◊ |
A |
x,y,z |
1_555 |
125 |
36 |
11963 |
1196.3 |
-16.2 |
0.145 |
10 |
0 |
0 |
0.591 |
7 |
|
D |
135 |
35 |
11880 |
◊ |
C |
x,y,z |
1_555 |
129 |
35 |
12104 |
1182.2 |
-17.5 |
0.142 |
8 |
0 |
0 |
0.591 |
8 |
|
F |
129 |
35 |
11850 |
◊ |
E |
x,y,z |
1_555 |
123 |
34 |
11904 |
1166.7 |
-16.6 |
0.127 |
12 |
0 |
0 |
0.591 |
Average: |
1187.6 |
-16.5 |
0.145 |
10 |
0 |
0 |
0.591 |
3 |
9 |
|
A |
89 |
22 |
11963 |
◊ |
F |
x,y-1,z-1 |
1_544 |
82 |
31 |
11850 |
752.0 |
-2.7 |
0.724 |
8 |
3 |
0 |
0.091 |
4 |
10 |
|
C |
73 |
23 |
12104 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
71 |
23 |
11880 |
642.9 |
-3.2 |
0.665 |
5 |
1 |
0 |
0.005 |
5 |
11 |
|
H |
55 |
21 |
11959 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
58 |
17 |
11919 |
486.6 |
-2.8 |
0.620 |
3 |
1 |
0 |
0.000 |
6 |
12 |
|
B |
51 |
16 |
11785 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
49 |
15 |
11959 |
455.3 |
-1.0 |
0.736 |
4 |
6 |
0 |
0.000 |
7 |
13 |
|
B |
45 |
14 |
11785 |
◊ |
E |
x,y-1,z |
1_545 |
36 |
12 |
11904 |
386.5 |
-4.5 |
0.272 |
0 |
0 |
0 |
0.062 |
8 |
14 |
|
D |
40 |
13 |
11880 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
11 |
11850 |
383.1 |
2.7 |
0.931 |
7 |
4 |
0 |
0.000 |
9 |
15 |
|
H |
25 |
8 |
11959 |
◊ |
F |
x,y,z |
1_555 |
25 |
8 |
11850 |
230.3 |
1.6 |
0.873 |
2 |
1 |
0 |
0.031 |
16 |
|
D |
25 |
9 |
11880 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
11785 |
225.9 |
1.3 |
0.875 |
2 |
0 |
0 |
0.031 |
17 |
|
C |
27 |
9 |
12104 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
11963 |
217.4 |
1.3 |
0.853 |
2 |
0 |
0 |
0.031 |
18 |
|
G |
27 |
8 |
11919 |
◊ |
E |
x,y,z |
1_555 |
24 |
9 |
11904 |
208.1 |
0.3 |
0.787 |
3 |
0 |
0 |
0.031 |
Average: |
220.4 |
1.1 |
0.847 |
2 |
0 |
0 |
0.031 |
10 |
19 |
|
A |
12 |
4 |
11963 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
7 |
12104 |
175.5 |
0.5 |
0.674 |
3 |
0 |
0 |
0.000 |
20 |
|
G |
13 |
3 |
11919 |
◊ |
E |
x-1,y,z |
1_455 |
18 |
7 |
11904 |
131.3 |
-2.3 |
0.159 |
1 |
0 |
0 |
0.000 |
Average: |
153.4 |
-0.9 |
0.417 |
2 |
0 |
0 |
0.000 |
11 |
21 |
|
H |
18 |
6 |
11959 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
7 |
11904 |
174.5 |
-2.6 |
0.174 |
1 |
0 |
0 |
0.000 |
22 |
|
B |
11 |
4 |
11785 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
5 |
12104 |
83.2 |
-0.4 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
128.9 |
-1.5 |
0.360 |
1 |
0 |
0 |
0.000 |
12 |
23 |
|
C |
17 |
6 |
12104 |
◊ |
F |
x,y-1,z-1 |
1_544 |
13 |
3 |
11850 |
137.7 |
1.3 |
0.858 |
3 |
6 |
0 |
0.012 |
13 |
24 |
|
C |
11 |
6 |
12104 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
7 |
11850 |
134.5 |
-1.9 |
0.219 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
11 |
6 |
11880 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
11904 |
62.2 |
-0.5 |
0.587 |
0 |
0 |
0 |
0.000 |
Average: |
98.4 |
-1.2 |
0.403 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
G |
14 |
5 |
11919 |
◊ |
F |
x-1,y,z |
1_455 |
9 |
2 |
11850 |
118.8 |
-0.5 |
0.543 |
0 |
1 |
0 |
0.000 |
27 |
|
A |
7 |
3 |
11963 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
11880 |
78.8 |
1.0 |
0.865 |
1 |
0 |
0 |
0.000 |
Average: |
98.8 |
0.2 |
0.704 |
1 |
1 |
0 |
0.000 |
15 |
28 |
|
[CL]B:266 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11785 |
67.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.494 |
29 |
|
[CL]G:270 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
11919 |
67.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.494 |
30 |
|
[CL]C:267 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
12104 |
64.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.494 |
31 |
|
[CL]H:269 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
11959 |
64.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.494 |
32 |
|
[CL]D:268 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11880 |
63.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.494 |
33 |
|
[CL]F:271 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
11850 |
62.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.494 |
34 |
|
[CL]E:272 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
11904 |
59.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.494 |
35 |
|
[CL]A:265 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11963 |
57.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.494 |
Average: |
63.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.494 |
16 |
36 |
|
C |
10 |
4 |
12104 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
11904 |
54.9 |
1.6 |
0.894 |
0 |
0 |
0 |
0.000 |
17 |
37 |
|
C |
4 |
2 |
12104 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
11959 |
46.1 |
1.2 |
0.868 |
1 |
1 |
0 |
0.000 |
38 |
|
B |
4 |
3 |
11785 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
11904 |
20.6 |
0.4 |
0.807 |
0 |
0 |
0 |
0.000 |
Average: |
33.3 |
0.8 |
0.837 |
1 |
1 |
0 |
0.000 |
18 |
39 |
|
[CA]F:264 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
11850 |
40.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.384 |
40 |
|
[CA]B:262 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11880 |
39.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.384 |
41 |
|
[CA]A:261 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
12104 |
39.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.384 |
42 |
|
[CA]B:262 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
11785 |
39.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.384 |
43 |
|
[CA]E:263 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
11919 |
39.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.384 |
44 |
|
[CA]A:261 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11963 |
39.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.384 |
45 |
|
[CA]E:263 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
11904 |
38.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.384 |
46 |
|
[CA]F:264 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
11959 |
36.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.384 |
Average: |
39.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.384 |
19 |
47 |
|
[CL]E:272 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11919 |
30.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.137 |
48 |
|
[CL]D:268 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11785 |
24.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.137 |
49 |
|
[CL]C:267 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11963 |
23.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.137 |
50 |
|
[CL]A:265 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12104 |
23.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.137 |
51 |
|
[CL]H:269 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
11850 |
21.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.137 |
52 |
|
[CL]F:271 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11959 |
20.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.137 |
53 |
|
[CL]B:266 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11880 |
20.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.137 |
54 |
|
[CL]G:270 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11904 |
15.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
22.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.137 |
20 |
55 |
|
[CL]A:265 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11880 |
23.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.113 |
56 |
|
[CL]E:272 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11959 |
21.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.113 |
57 |
|
[CL]H:269 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11904 |
20.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.113 |
58 |
|
[CL]F:271 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11919 |
19.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.113 |
59 |
|
[CL]C:267 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11785 |
19.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.113 |
60 |
|
[CL]D:268 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11963 |
18.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.113 |
61 |
|
[CL]G:270 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11850 |
15.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.113 |
62 |
|
[CL]B:266 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12104 |
14.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
19.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.113 |
21 |
63 |
|
A |
3 |
3 |
11963 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
11959 |
18.7 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
22 |
64 |
|
A |
3 |
3 |
11963 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
11850 |
18.1 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
65 |
|
D |
2 |
1 |
11880 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
11919 |
15.4 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
Average: |
16.7 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
23 |
66 |
|
[CL]A:265 |
1 |
1 |
125 |
◊ |
F |
x,y-1,z-1 |
1_544 |
2 |
1 |
11850 |
10.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
24 |
67 |
|
H |
1 |
1 |
11959 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11850 |
1.8 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
|