## |
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 |
185 |
50 |
8072 |
◊ |
C |
x,y,z |
1_555 |
183 |
49 |
7887 |
1735.3 |
-8.9 |
0.497 |
40 |
0 |
0 |
1.000 |
2 |
|
B |
175 |
46 |
8077 |
◊ |
A |
x,y,z |
1_555 |
175 |
46 |
8542 |
1700.6 |
-10.0 |
0.432 |
36 |
0 |
0 |
1.000 |
3 |
|
H |
177 |
45 |
7969 |
◊ |
G |
x,y,z |
1_555 |
180 |
49 |
7878 |
1690.8 |
-13.1 |
0.446 |
31 |
0 |
0 |
1.000 |
4 |
|
F |
173 |
47 |
7733 |
◊ |
E |
x,y,z |
1_555 |
174 |
46 |
7568 |
1676.5 |
-10.1 |
0.553 |
37 |
0 |
0 |
1.000 |
Average: |
1700.8 |
-10.5 |
0.482 |
36 |
0 |
0 |
1.000 |
2 |
5 |
|
E |
42 |
13 |
7568 |
◊ |
H |
x-1,y,z |
1_455 |
31 |
11 |
7969 |
327.6 |
0.6 |
0.628 |
4 |
3 |
0 |
0.000 |
3 |
6 |
|
B |
22 |
6 |
8077 |
◊ |
D |
-y,x,z-1/4 |
3_554 |
29 |
9 |
8072 |
216.9 |
-1.2 |
0.460 |
3 |
2 |
0 |
0.000 |
4 |
7 |
|
H |
20 |
4 |
7969 |
◊ |
E |
x,y,z |
1_555 |
26 |
7 |
7568 |
208.7 |
-2.3 |
0.308 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
30 |
9 |
8542 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
7 |
7887 |
202.1 |
0.3 |
0.716 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
24 |
7 |
8542 |
◊ |
F |
x,y-1,z |
1_545 |
27 |
8 |
7733 |
200.5 |
-4.1 |
0.214 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
23 |
7 |
8542 |
◊ |
E |
-y,x+1,z-1/4 |
3_564 |
21 |
8 |
7568 |
199.8 |
1.4 |
0.847 |
1 |
4 |
0 |
0.000 |
11 |
|
D |
16 |
5 |
8072 |
◊ |
G |
x,y-1,z |
1_545 |
22 |
6 |
7878 |
154.2 |
-0.8 |
0.543 |
1 |
1 |
0 |
0.000 |
Average: |
177.0 |
0.3 |
0.695 |
1 |
3 |
0 |
0.000 |
8 |
12 |
|
A |
20 |
7 |
8542 |
◊ |
D |
-y,x,z-1/4 |
3_554 |
23 |
7 |
8072 |
187.8 |
0.9 |
0.778 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
20 |
9 |
8077 |
◊ |
D |
-y,x+1,z-1/4 |
3_564 |
13 |
7 |
8072 |
152.6 |
1.8 |
0.694 |
1 |
2 |
0 |
0.000 |
10 |
14 |
|
F |
17 |
5 |
7733 |
◊ |
D |
-y,x+1,z-1/4 |
3_564 |
18 |
6 |
8072 |
140.1 |
-0.9 |
0.534 |
1 |
1 |
0 |
0.000 |
11 |
15 |
|
F |
21 |
6 |
7733 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
16 |
5 |
7878 |
130.0 |
1.0 |
0.822 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
F |
8 |
4 |
7733 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
8542 |
105.3 |
-1.4 |
0.353 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[IOD]G:167 |
1 |
1 |
144 |
f |
G |
x,y,z |
1_555 |
16 |
11 |
7878 |
96.9 |
-0.0 |
0.775 |
0 |
0 |
0 |
0.017 |
18 |
|
[IOD]B:168 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
8077 |
96.4 |
-0.1 |
0.714 |
0 |
0 |
0 |
0.017 |
19 |
|
[IOD]F:168 |
1 |
1 |
144 |
f |
F |
x,y,z |
1_555 |
18 |
11 |
7733 |
94.2 |
0.0 |
0.793 |
0 |
0 |
0 |
0.017 |
20 |
|
[IOD]D:168 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
8072 |
89.4 |
-0.0 |
0.753 |
0 |
0 |
0 |
0.017 |
Average: |
94.2 |
-0.0 |
0.759 |
0 |
0 |
0 |
0.017 |
14 |
21 |
|
[IOD]H:166 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
7568 |
92.4 |
-0.9 |
0.519 |
0 |
0 |
0 |
0.201 |
22 |
|
[IOD]D:169 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
8072 |
89.3 |
-0.8 |
0.535 |
0 |
0 |
0 |
0.201 |
Average: |
90.8 |
-0.8 |
0.527 |
0 |
0 |
0 |
0.201 |
15 |
23 |
|
[IOD]C:166 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
7887 |
88.4 |
0.3 |
0.808 |
0 |
0 |
0 |
0.000 |
24 |
|
[IOD]F:166 |
1 |
1 |
144 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
7733 |
86.1 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
25 |
|
[IOD]D:170 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
8072 |
81.3 |
0.5 |
0.861 |
0 |
0 |
0 |
0.000 |
Average: |
85.3 |
0.4 |
0.848 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[IOD]H:165 |
1 |
1 |
144 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
7969 |
86.5 |
-0.0 |
0.758 |
0 |
0 |
0 |
0.100 |
27 |
|
[IOD]C:165 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
7887 |
83.9 |
0.1 |
0.756 |
0 |
0 |
0 |
0.100 |
28 |
|
[IOD]D:165 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
8072 |
83.4 |
0.1 |
0.755 |
0 |
0 |
0 |
0.100 |
29 |
|
[IOD]B:165 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8077 |
83.1 |
0.1 |
0.741 |
0 |
0 |
0 |
0.100 |
30 |
|
[IOD]F:165 |
1 |
1 |
144 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
7733 |
82.8 |
0.1 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
|
[IOD]A:165 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
8542 |
82.5 |
0.1 |
0.793 |
0 |
0 |
0 |
0.100 |
32 |
|
[IOD]E:165 |
1 |
1 |
144 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
7568 |
82.4 |
0.1 |
0.794 |
0 |
0 |
0 |
0.100 |
33 |
|
[IOD]G:165 |
1 |
1 |
144 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
7878 |
76.3 |
0.2 |
0.809 |
0 |
0 |
0 |
0.100 |
Average: |
82.6 |
0.1 |
0.676 |
0 |
0 |
0 |
0.100 |
17 |
34 |
|
B |
9 |
4 |
8077 |
◊ |
C |
-y,x+1,z-1/4 |
3_564 |
10 |
4 |
7887 |
85.5 |
0.9 |
0.670 |
2 |
0 |
0 |
0.000 |
18 |
35 |
|
F |
10 |
5 |
7733 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8077 |
80.2 |
1.2 |
0.816 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
C |
7 |
2 |
7887 |
◊ |
G |
-y+1,x,z-1/4 |
3_654 |
8 |
3 |
7878 |
69.9 |
-1.3 |
0.301 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
[IOD]D:167 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
7887 |
65.1 |
-0.1 |
0.726 |
0 |
0 |
0 |
0.123 |
38 |
|
[IOD]B:167 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8542 |
53.7 |
-0.5 |
0.612 |
0 |
0 |
0 |
0.123 |
39 |
|
[IOD]C:167 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
8072 |
48.1 |
-0.3 |
0.678 |
0 |
0 |
0 |
0.123 |
Average: |
55.7 |
-0.3 |
0.672 |
0 |
0 |
0 |
0.123 |
21 |
40 |
|
[IOD]C:168 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
7887 |
58.1 |
-0.3 |
0.623 |
0 |
0 |
0 |
0.269 |
41 |
|
[IOD]B:169 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
8077 |
51.2 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.269 |
Average: |
54.6 |
-0.4 |
0.594 |
0 |
0 |
0 |
0.269 |
22 |
42 |
|
[IOD]B:166 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
8077 |
57.7 |
0.0 |
0.729 |
0 |
0 |
0 |
0.000 |
43 |
|
[IOD]D:166 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
8072 |
57.6 |
-0.0 |
0.734 |
0 |
0 |
0 |
0.000 |
44 |
|
[IOD]G:166 |
1 |
1 |
144 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
7878 |
57.3 |
0.0 |
0.781 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]F:167 |
1 |
1 |
144 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
7733 |
56.9 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
46 |
|
[IOD]F:167 |
1 |
1 |
144 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
7568 |
56.6 |
-0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
47 |
|
[IOD]B:166 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
8542 |
55.7 |
-0.0 |
0.756 |
0 |
0 |
0 |
0.000 |
48 |
|
[IOD]D:166 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
7887 |
55.4 |
0.0 |
0.744 |
0 |
0 |
0 |
0.000 |
49 |
|
[IOD]G:166 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
7969 |
54.0 |
-0.0 |
0.757 |
0 |
0 |
0 |
0.000 |
Average: |
56.4 |
0.0 |
0.752 |
0 |
0 |
0 |
0.000 |
23 |
50 |
|
C |
9 |
4 |
7887 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8077 |
53.9 |
0.4 |
0.705 |
0 |
0 |
0 |
0.000 |
24 |
51 |
|
[IOD]D:167 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
8072 |
52.5 |
0.5 |
0.890 |
0 |
0 |
0 |
0.000 |
52 |
|
[IOD]B:167 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8077 |
35.4 |
0.4 |
0.919 |
0 |
0 |
0 |
0.000 |
53 |
|
[IOD]C:167 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7887 |
32.4 |
0.4 |
0.930 |
0 |
0 |
0 |
0.000 |
Average: |
40.1 |
0.5 |
0.913 |
0 |
0 |
0 |
0.000 |
25 |
54 |
|
H |
5 |
2 |
7969 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
7733 |
49.6 |
0.6 |
0.785 |
1 |
0 |
0 |
0.000 |
26 |
55 |
|
A |
3 |
2 |
8542 |
◊ |
H |
-y,x,z-1/4 |
3_554 |
7 |
3 |
7969 |
41.2 |
-0.4 |
0.311 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
[IOD]H:166 |
1 |
1 |
144 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
7969 |
35.1 |
0.2 |
0.863 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
1 |
1 |
8077 |
◊ |
[IOD]D:169 |
-y,x,z-1/4 |
3_554 |
1 |
1 |
144 |
21.7 |
0.5 |
0.971 |
0 |
0 |
0 |
0.000 |
Average: |
28.4 |
0.3 |
0.917 |
0 |
0 |
0 |
0.000 |
28 |
58 |
|
H |
5 |
3 |
7969 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
7887 |
24.5 |
0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
29 |
59 |
|
B |
4 |
3 |
8077 |
◊ |
C |
-y,x,z-1/4 |
3_554 |
4 |
2 |
7887 |
24.4 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
30 |
60 |
|
[IOD]D:169 |
1 |
1 |
144 |
f |
[IOD]D:168 |
x,y,z |
1_555 |
1 |
1 |
144 |
20.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
61 |
|
B |
4 |
2 |
8077 |
◊ |
[IOD]C:167 |
-y,x+1,z-1/4 |
3_564 |
1 |
1 |
144 |
15.5 |
0.3 |
0.873 |
0 |
0 |
0 |
0.000 |
32 |
62 |
|
C |
3 |
1 |
7887 |
◊ |
E |
-y+1,x+1,z-1/4 |
3_664 |
3 |
1 |
7568 |
13.2 |
-0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
33 |
63 |
|
C |
4 |
2 |
7887 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
1 |
1 |
7878 |
11.2 |
-0.4 |
0.298 |
0 |
0 |
0 |
0.000 |
34 |
64 |
|
[IOD]C:168 |
1 |
1 |
144 |
◊ |
G |
-y+1,x+1,z-1/4 |
3_664 |
1 |
1 |
7878 |
9.8 |
-0.1 |
0.460 |
0 |
0 |
0 |
0.000 |
35 |
65 |
|
D |
1 |
1 |
8072 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
7969 |
9.4 |
0.0 |
0.444 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
2 |
2 |
8077 |
◊ |
E |
-y,x+1,z-1/4 |
3_564 |
3 |
1 |
7568 |
6.3 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
Average: |
7.8 |
0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
36 |
67 |
|
C |
1 |
1 |
7887 |
◊ |
H |
-y+1,x,z-1/4 |
3_654 |
1 |
1 |
7969 |
4.6 |
0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
37 |
68 |
|
F |
1 |
1 |
7733 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7887 |
1.9 |
-0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
38 |
69 |
|
G |
1 |
1 |
7878 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7568 |
1.6 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
|