## |
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 |
145 |
35 |
9175 |
◊ |
A |
x,y,z |
1_555 |
146 |
35 |
9446 |
1391.7 |
-11.5 |
0.275 |
17 |
22 |
0 |
0.344 |
2 |
|
D |
137 |
34 |
8884 |
◊ |
C |
x,y,z |
1_555 |
131 |
32 |
8905 |
1296.0 |
-5.9 |
0.663 |
18 |
22 |
0 |
0.344 |
Average: |
1343.9 |
-8.7 |
0.469 |
18 |
22 |
0 |
0.344 |
2 |
3 |
|
D |
85 |
21 |
8884 |
◊ |
A |
x,y,z |
1_555 |
79 |
19 |
9446 |
688.6 |
0.1 |
0.765 |
12 |
3 |
0 |
0.008 |
4 |
|
C |
79 |
21 |
8905 |
◊ |
B |
x,y,z |
1_555 |
83 |
19 |
9175 |
679.1 |
-1.1 |
0.748 |
10 |
2 |
0 |
0.008 |
Average: |
683.8 |
-0.5 |
0.757 |
11 |
3 |
0 |
0.008 |
3 |
5 |
|
B |
75 |
21 |
9175 |
◊ |
A |
-x+3,y-1/2,-z+3 |
2_848 |
73 |
22 |
9446 |
655.1 |
-6.3 |
0.312 |
3 |
3 |
0 |
0.000 |
4 |
6 |
|
[6W8]D:301 |
19 |
1 |
487 |
f |
D |
x,y,z |
1_555 |
38 |
15 |
8884 |
255.1 |
2.6 |
0.590 |
8 |
0 |
0 |
0.035 |
7 |
|
[6W8]B:301 |
17 |
1 |
493 |
f |
B |
x,y,z |
1_555 |
36 |
15 |
9175 |
254.3 |
3.3 |
0.675 |
10 |
0 |
0 |
0.035 |
8 |
|
[6W8]A:301 |
17 |
1 |
489 |
f |
A |
x,y,z |
1_555 |
35 |
15 |
9446 |
253.5 |
2.9 |
0.592 |
9 |
0 |
0 |
0.035 |
9 |
|
[6W8]C:301 |
17 |
1 |
481 |
f |
C |
x,y,z |
1_555 |
36 |
15 |
8905 |
241.6 |
3.3 |
0.719 |
9 |
0 |
0 |
0.035 |
Average: |
251.2 |
3.0 |
0.644 |
9 |
0 |
0 |
0.035 |
5 |
10 |
|
D |
26 |
11 |
8884 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
8 |
8905 |
198.8 |
-3.3 |
0.267 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
15 |
7 |
8905 |
◊ |
D |
-x+3,y-1/2,-z+2 |
2_847 |
18 |
7 |
8884 |
139.6 |
0.7 |
0.783 |
2 |
0 |
0 |
0.000 |
12 |
|
C |
4 |
2 |
8905 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
3 |
8884 |
61.6 |
0.1 |
0.617 |
1 |
0 |
0 |
0.000 |
Average: |
100.6 |
0.4 |
0.700 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
[POP]A:304 |
8 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
9446 |
125.4 |
2.2 |
0.679 |
6 |
0 |
0 |
0.050 |
14 |
|
[POP]B:304 |
8 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
9175 |
119.4 |
-0.5 |
0.531 |
5 |
0 |
0 |
0.050 |
Average: |
122.4 |
0.8 |
0.605 |
6 |
0 |
0 |
0.050 |
8 |
15 |
|
B |
13 |
4 |
9175 |
◊ |
D |
-x+3,y-1/2,-z+2 |
2_847 |
8 |
3 |
8884 |
97.0 |
-1.6 |
0.257 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[POP]C:304 |
6 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
8905 |
88.1 |
-1.2 |
0.402 |
3 |
0 |
0 |
0.041 |
10 |
17 |
|
[POP]D:304 |
6 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
8884 |
87.6 |
-2.4 |
0.417 |
4 |
0 |
0 |
0.067 |
11 |
18 |
|
A |
8 |
4 |
9446 |
x |
A |
x-1,y,z |
1_455 |
12 |
5 |
9446 |
86.8 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
8 |
5 |
9175 |
x |
B |
x-1,y,z |
1_455 |
4 |
3 |
9175 |
52.8 |
-0.6 |
0.278 |
0 |
0 |
0 |
0.000 |
Average: |
69.8 |
-0.2 |
0.471 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
C |
9 |
3 |
8905 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
9446 |
84.7 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
8 |
2 |
8884 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
9175 |
74.2 |
-0.2 |
0.595 |
0 |
0 |
0 |
0.000 |
Average: |
79.5 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
B |
8 |
3 |
9175 |
◊ |
C |
-x+3,y-1/2,-z+2 |
2_847 |
10 |
5 |
8905 |
81.4 |
-0.2 |
0.609 |
1 |
0 |
0 |
0.000 |
23 |
|
D |
7 |
4 |
8884 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
9446 |
30.5 |
-0.6 |
0.296 |
0 |
0 |
0 |
0.000 |
Average: |
56.0 |
-0.4 |
0.453 |
1 |
0 |
0 |
0.000 |
14 |
24 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
8884 |
54.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.256 |
25 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9446 |
53.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.256 |
26 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9175 |
50.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.256 |
27 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
8905 |
49.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.256 |
Average: |
51.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.256 |
15 |
28 |
|
C |
7 |
3 |
8905 |
◊ |
A |
-x+3,y-1/2,-z+2 |
2_847 |
3 |
1 |
9446 |
44.2 |
-0.4 |
0.431 |
1 |
0 |
0 |
0.000 |
29 |
|
B |
5 |
3 |
9175 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
3 |
8884 |
38.2 |
-1.2 |
0.174 |
0 |
0 |
0 |
0.000 |
Average: |
41.2 |
-0.8 |
0.303 |
1 |
0 |
0 |
0.000 |
16 |
30 |
|
[POP]C:304 |
4 |
1 |
260 |
f |
[6W8]C:301 |
x,y,z |
1_555 |
6 |
1 |
481 |
41.8 |
0.2 |
0.205 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9175 |
40.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.141 |
32 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9446 |
37.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.141 |
33 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
8905 |
35.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.141 |
34 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
8884 |
31.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
36.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.141 |
18 |
35 |
|
[POP]D:304 |
4 |
1 |
261 |
f |
[6W8]D:301 |
x,y,z |
1_555 |
6 |
1 |
487 |
38.4 |
0.2 |
0.233 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[POP]D:304 |
3 |
1 |
261 |
f |
[MG]D:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
37.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.066 |
20 |
37 |
|
[POP]C:304 |
4 |
1 |
260 |
f |
[MG]C:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.077 |
21 |
38 |
|
[POP]B:304 |
2 |
1 |
260 |
f |
[MG]B:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.116 |
39 |
|
[POP]A:304 |
4 |
1 |
261 |
f |
[MG]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
30.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.116 |
22 |
40 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[6W8]A:301 |
x,y,z |
1_555 |
5 |
1 |
489 |
25.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.048 |
41 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[6W8]C:301 |
x,y,z |
1_555 |
4 |
1 |
481 |
18.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.048 |
42 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
[6W8]D:301 |
x,y,z |
1_555 |
3 |
1 |
487 |
14.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.048 |
43 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[6W8]B:301 |
x,y,z |
1_555 |
2 |
1 |
493 |
7.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
16.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.048 |
23 |
44 |
|
D |
4 |
2 |
8884 |
x |
D |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
8884 |
21.8 |
0.3 |
0.761 |
0 |
0 |
0 |
0.000 |
45 |
|
C |
1 |
1 |
8905 |
x |
C |
-x+3,y-1/2,-z+2 |
2_847 |
1 |
1 |
8905 |
3.1 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
Average: |
12.5 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
[POP]A:304 |
2 |
1 |
261 |
f |
[6W8]A:301 |
x,y,z |
1_555 |
5 |
1 |
489 |
16.0 |
-0.3 |
0.226 |
0 |
0 |
0 |
0.012 |
47 |
|
[POP]B:304 |
2 |
1 |
260 |
f |
[6W8]B:301 |
x,y,z |
1_555 |
2 |
1 |
493 |
10.7 |
-0.4 |
0.267 |
0 |
0 |
0 |
0.012 |
Average: |
13.3 |
-0.4 |
0.247 |
0 |
0 |
0 |
0.012 |
25 |
48 |
|
[POP]B:304 |
1 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9446 |
15.3 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
49 |
|
[POP]A:304 |
1 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9175 |
13.2 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
Average: |
14.3 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
26 |
50 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[6W8]B:301 |
x,y,z |
1_555 |
3 |
1 |
493 |
8.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.030 |
51 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[6W8]A:301 |
x,y,z |
1_555 |
3 |
1 |
489 |
7.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
52 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[6W8]D:301 |
x,y,z |
1_555 |
1 |
1 |
487 |
6.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
7.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
27 |
53 |
|
[POP]A:304 |
1 |
1 |
261 |
f |
[MG]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.024 |
54 |
|
[POP]B:304 |
2 |
1 |
260 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
5.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.024 |
28 |
55 |
|
[POP]C:304 |
1 |
1 |
260 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
29 |
56 |
|
[POP]D:304 |
2 |
1 |
261 |
f |
[MG]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
|