## |
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 |
181 |
45 |
5966 |
◊ |
B |
x,y,z |
1_555 |
156 |
45 |
5963 |
1565.0 |
-16.1 |
0.492 |
41 |
0 |
0 |
0.629 |
2 |
|
C |
156 |
45 |
5966 |
◊ |
A |
x,y,z |
1_555 |
172 |
44 |
5930 |
1523.0 |
-16.2 |
0.422 |
41 |
0 |
0 |
0.629 |
3 |
|
B |
175 |
43 |
5963 |
◊ |
A |
x,y,z |
1_555 |
152 |
44 |
5930 |
1508.5 |
-17.1 |
0.384 |
39 |
0 |
0 |
0.629 |
Average: |
1532.2 |
-16.5 |
0.433 |
40 |
0 |
0 |
0.629 |
2 |
4 |
|
D |
87 |
25 |
11176 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
88 |
25 |
11176 |
753.8 |
-4.6 |
0.493 |
6 |
0 |
0 |
0.157 |
3 |
5 |
|
B |
33 |
10 |
5963 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
55 |
15 |
11176 |
368.7 |
-2.4 |
0.553 |
6 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
38 |
10 |
5966 |
◊ |
D |
x,y,z |
1_555 |
40 |
9 |
11176 |
351.9 |
-4.7 |
0.132 |
6 |
0 |
0 |
0.037 |
5 |
7 |
|
B |
33 |
10 |
5963 |
◊ |
D |
x,y,z |
1_555 |
37 |
11 |
11176 |
316.7 |
-4.8 |
0.152 |
5 |
0 |
0 |
0.035 |
6 |
8 |
|
A |
36 |
9 |
5930 |
◊ |
D |
x,y,z |
1_555 |
36 |
10 |
11176 |
316.6 |
-3.4 |
0.264 |
9 |
0 |
0 |
0.037 |
7 |
9 |
|
[MRD]A:804 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
5930 |
172.6 |
4.5 |
0.693 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
17 |
6 |
5930 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
26 |
8 |
11176 |
168.6 |
-1.2 |
0.560 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
22 |
7 |
5966 |
◊ |
D |
-x,-y+1,z-1/2 |
2_564 |
12 |
6 |
11176 |
163.8 |
-0.5 |
0.674 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
[MRD]D:303 |
7 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
11176 |
141.0 |
4.3 |
0.623 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
C |
13 |
3 |
5966 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
17 |
7 |
11176 |
121.0 |
-1.5 |
0.392 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
10 |
3 |
5963 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
16 |
6 |
11176 |
116.1 |
-1.3 |
0.394 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[MRD]D:304 |
7 |
1 |
275 |
◊ |
[MRD]D:304 |
-x,y,-z+1/2 |
3_555 |
7 |
1 |
275 |
110.3 |
0.8 |
0.140 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
9 |
4 |
5930 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
12 |
4 |
11176 |
109.5 |
-0.0 |
0.545 |
1 |
0 |
0 |
0.002 |
15 |
17 |
|
[MPD]A:805 |
7 |
1 |
281 |
f |
D |
-x,y,-z+1/2 |
3_555 |
16 |
9 |
11176 |
93.3 |
-5.0 |
0.803 |
2 |
0 |
0 |
0.256 |
16 |
18 |
|
[MPD]B:802 |
6 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
5963 |
88.7 |
-5.1 |
0.861 |
1 |
0 |
0 |
0.050 |
17 |
19 |
|
[MRD]C:802 |
5 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
5966 |
88.2 |
0.6 |
0.366 |
2 |
0 |
0 |
0.002 |
18 |
20 |
|
[MPD]A:806 |
5 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
5930 |
85.3 |
-5.8 |
0.433 |
0 |
0 |
0 |
0.036 |
19 |
21 |
|
[MPD]A:806 |
5 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
5963 |
84.9 |
-5.8 |
0.447 |
0 |
0 |
0 |
0.035 |
20 |
22 |
|
[IMD]A:807 |
5 |
1 |
197 |
◊ |
[IMD]A:807 |
x,-y+1,-z |
4_565 |
5 |
1 |
197 |
84.1 |
3.7 |
0.044 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
B |
13 |
5 |
5963 |
◊ |
[MRD]D:302 |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
276 |
81.4 |
0.7 |
0.542 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[MPD]A:806 |
6 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
5966 |
80.7 |
-5.4 |
0.466 |
0 |
0 |
0 |
0.033 |
23 |
25 |
|
[MRD]D:304 |
5 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
11176 |
76.8 |
2.4 |
0.605 |
2 |
0 |
0 |
0.000 |
24 |
26 |
|
[IMD]D:307 |
5 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
11176 |
76.4 |
1.7 |
0.167 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[MPD]C:803 |
5 |
1 |
274 |
f |
C |
x,y,z |
1_555 |
17 |
4 |
5966 |
75.2 |
-4.4 |
0.801 |
3 |
0 |
0 |
0.054 |
26 |
28 |
|
A |
8 |
2 |
5930 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
8 |
3 |
11176 |
74.2 |
-0.8 |
0.403 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[MPD]D:305 |
5 |
1 |
277 |
f |
D |
-x,y,-z+1/2 |
3_555 |
7 |
3 |
11176 |
74.1 |
-4.0 |
0.670 |
1 |
0 |
0 |
0.191 |
28 |
30 |
|
[MRD]D:302 |
5 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
11176 |
73.2 |
0.8 |
0.392 |
1 |
0 |
0 |
0.000 |
29 |
31 |
|
[IMD]D:306 |
5 |
1 |
198 |
◊ |
D |
x,y,z |
1_555 |
14 |
3 |
11176 |
69.0 |
2.0 |
0.148 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
C |
8 |
3 |
5966 |
◊ |
D |
x,-y+1,-z |
4_565 |
11 |
4 |
11176 |
68.3 |
-1.2 |
0.405 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[MRD]D:304 |
4 |
1 |
275 |
f |
D |
-x,y,-z+1/2 |
3_555 |
11 |
6 |
11176 |
68.3 |
0.1 |
0.349 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[MPD]C:803 |
7 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
5963 |
66.8 |
-4.1 |
0.695 |
1 |
0 |
0 |
0.027 |
33 |
35 |
|
[MPD]A:805 |
4 |
1 |
281 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
11176 |
64.4 |
-4.2 |
0.688 |
1 |
0 |
0 |
0.202 |
34 |
36 |
|
[MRD]C:802 |
5 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
5963 |
62.3 |
-0.0 |
0.259 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
A |
6 |
2 |
5930 |
◊ |
D |
x,-y+1,-z |
4_565 |
11 |
2 |
11176 |
61.5 |
-0.8 |
0.454 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[MPD]C:803 |
5 |
1 |
274 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
3 |
11176 |
59.8 |
-3.6 |
0.529 |
1 |
0 |
0 |
0.000 |
37 |
39 |
|
[MPD]D:305 |
5 |
1 |
277 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
11176 |
54.3 |
-3.0 |
0.657 |
0 |
0 |
0 |
0.130 |
38 |
40 |
|
[MPD]A:805 |
5 |
1 |
281 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5930 |
48.9 |
-1.6 |
0.973 |
0 |
0 |
0 |
0.007 |
39 |
41 |
|
[MG]B:801 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
5963 |
48.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.109 |
42 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
5930 |
46.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.109 |
43 |
|
[MG]C:801 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
5966 |
41.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
45.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.109 |
40 |
44 |
|
C |
5 |
1 |
5966 |
◊ |
C |
x,-y+1,-z |
4_565 |
5 |
1 |
5966 |
47.4 |
1.2 |
0.897 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[MG]A:803 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
5930 |
41.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.031 |
42 |
46 |
|
B |
6 |
2 |
5963 |
f |
[IMD]D:306 |
x-1/2,-y+1/2,-z |
8_455 |
5 |
1 |
198 |
40.5 |
1.3 |
0.085 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[MPD]C:803 |
3 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5930 |
40.1 |
-1.7 |
0.721 |
0 |
0 |
0 |
0.010 |
44 |
48 |
|
[MPD]D:305 |
3 |
1 |
277 |
f |
[MRD]D:303 |
x,y,z |
1_555 |
2 |
1 |
275 |
37.6 |
-1.8 |
0.571 |
0 |
0 |
0 |
0.078 |
45 |
49 |
|
[MPD]A:805 |
2 |
1 |
281 |
◊ |
[MRD]D:303 |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
275 |
32.0 |
-0.1 |
0.836 |
0 |
0 |
0 |
0.003 |
46 |
50 |
|
[IMD]A:807 |
3 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
5963 |
30.9 |
1.0 |
0.216 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[IMD]A:807 |
2 |
1 |
197 |
◊ |
A |
x,-y+1,-z |
4_565 |
7 |
1 |
5930 |
30.3 |
0.6 |
0.305 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[MPD]B:802 |
2 |
1 |
279 |
◊ |
D |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
11176 |
29.1 |
-0.9 |
0.957 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
C |
4 |
2 |
5966 |
◊ |
A |
x,-y+1,-z |
4_565 |
2 |
1 |
5930 |
29.0 |
0.7 |
0.744 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[IMD]A:807 |
3 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
5930 |
28.8 |
0.8 |
0.193 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[MPD]B:802 |
3 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5930 |
28.6 |
-1.2 |
0.889 |
0 |
0 |
0 |
0.007 |
52 |
56 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
11176 |
28.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.133 |
53 |
57 |
|
C |
2 |
1 |
5966 |
◊ |
[IMD]D:307 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
196 |
26.5 |
0.1 |
0.191 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
[MG]A:802 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
5930 |
23.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
55 |
59 |
|
[MPD]D:305 |
2 |
1 |
277 |
◊ |
[MPD]A:805 |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
281 |
22.9 |
-2.2 |
0.990 |
0 |
0 |
0 |
0.095 |
56 |
60 |
|
[IMD]A:807 |
3 |
1 |
197 |
f |
B |
x,-y+1,-z |
4_565 |
3 |
2 |
5963 |
19.3 |
0.4 |
0.142 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[MG]B:801 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
5966 |
19.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.032 |
62 |
|
[MG]C:801 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5930 |
18.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
63 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5963 |
17.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
18.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
58 |
64 |
|
[MPD]C:803 |
2 |
1 |
274 |
f |
[MRD]C:802 |
x,y,z |
1_555 |
1 |
1 |
277 |
18.0 |
-0.0 |
0.825 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[MG]D:301 |
1 |
1 |
98 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
5 |
2 |
11176 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.076 |
60 |
66 |
|
A |
1 |
1 |
5930 |
◊ |
A |
x,-y+1,-z |
4_565 |
1 |
1 |
5930 |
12.8 |
0.3 |
0.807 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
B |
3 |
2 |
5963 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
11176 |
12.6 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
[MRD]A:804 |
1 |
1 |
277 |
f |
[MG]A:803 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
63 |
69 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
11176 |
7.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[MPD]C:803 |
2 |
1 |
274 |
◊ |
[IMD]D:307 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
196 |
5.9 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
[MG]A:803 |
1 |
1 |
98 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
11176 |
4.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
72 |
|
[MRD]C:802 |
1 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5930 |
2.8 |
-0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
B |
1 |
1 |
5963 |
◊ |
D |
x,-y+1,-z |
4_565 |
1 |
1 |
11176 |
2.7 |
0.0 |
0.543 |
0 |
0 |
0 |
0.000 |
68 |
74 |
|
C |
2 |
1 |
5966 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
5966 |
2.2 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
69 |
75 |
|
A |
1 |
1 |
5930 |
◊ |
D |
-x,-y+1,z-1/2 |
2_564 |
1 |
1 |
11176 |
0.3 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
|