## |
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 |
189 |
45 |
11727 |
◊ |
C |
x,y,z |
1_555 |
182 |
44 |
12491 |
1727.4 |
-11.2 |
0.339 |
26 |
15 |
0 |
0.414 |
2 |
|
B |
186 |
47 |
12469 |
◊ |
A |
x,y,z |
1_555 |
187 |
45 |
11559 |
1724.4 |
-9.5 |
0.436 |
29 |
19 |
0 |
0.414 |
Average: |
1725.9 |
-10.4 |
0.387 |
28 |
17 |
0 |
0.414 |
2 |
3 |
|
C |
155 |
43 |
12491 |
◊ |
B |
x,y,z |
1_555 |
158 |
44 |
12469 |
1553.3 |
-24.3 |
0.011 |
32 |
8 |
0 |
0.574 |
4 |
|
D |
155 |
42 |
11727 |
◊ |
A |
x,y,z |
1_555 |
152 |
42 |
11559 |
1520.2 |
-24.8 |
0.011 |
30 |
8 |
0 |
0.574 |
Average: |
1536.7 |
-24.5 |
0.011 |
31 |
8 |
0 |
0.574 |
3 |
5 |
|
C |
66 |
16 |
12491 |
◊ |
A |
x,y,z |
1_555 |
72 |
17 |
11559 |
645.4 |
3.6 |
0.877 |
14 |
2 |
0 |
0.026 |
6 |
|
D |
72 |
18 |
11727 |
◊ |
B |
x,y,z |
1_555 |
71 |
17 |
12469 |
634.8 |
4.0 |
0.893 |
15 |
2 |
0 |
0.026 |
Average: |
640.1 |
3.8 |
0.885 |
15 |
2 |
0 |
0.026 |
4 |
7 |
|
B |
46 |
15 |
12469 |
x |
B |
x-y,x,z+1/6 |
6_555 |
34 |
13 |
12469 |
359.7 |
0.5 |
0.717 |
4 |
2 |
0 |
0.000 |
8 |
|
C |
31 |
11 |
12491 |
x |
C |
x-y,x,z+1/6 |
6_555 |
42 |
16 |
12491 |
301.4 |
-0.9 |
0.558 |
3 |
2 |
0 |
0.000 |
Average: |
330.5 |
-0.2 |
0.637 |
4 |
2 |
0 |
0.000 |
5 |
9 |
|
D |
26 |
8 |
11727 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
30 |
8 |
12469 |
240.6 |
-0.6 |
0.413 |
1 |
1 |
0 |
0.000 |
6 |
10 |
|
D |
23 |
8 |
11727 |
◊ |
A |
x-y+1,x+1,z+1/6 |
6_665 |
22 |
8 |
11559 |
193.1 |
3.4 |
0.896 |
2 |
1 |
0 |
0.000 |
7 |
11 |
|
C |
26 |
11 |
12491 |
◊ |
A |
x-y+1,x+1,z+1/6 |
6_665 |
25 |
8 |
11559 |
183.7 |
-0.7 |
0.578 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
12 |
3 |
12469 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
16 |
6 |
11559 |
115.3 |
-0.5 |
0.563 |
1 |
0 |
0 |
0.000 |
13 |
|
D |
17 |
6 |
11727 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
12 |
3 |
12491 |
111.5 |
-0.5 |
0.551 |
1 |
0 |
0 |
0.000 |
Average: |
113.4 |
-0.5 |
0.557 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12469 |
103.1 |
3.9 |
0.527 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
9 |
2 |
11727 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
9 |
2 |
11559 |
99.9 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]D:303 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
11727 |
84.0 |
2.1 |
0.221 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
C |
9 |
3 |
12491 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
9 |
3 |
12469 |
78.1 |
3.3 |
0.950 |
1 |
2 |
0 |
0.000 |
13 |
18 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
11727 |
76.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.293 |
19 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
12491 |
75.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.293 |
20 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11559 |
74.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.293 |
Average: |
75.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.293 |
14 |
21 |
|
[EDO]B:302 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
11727 |
74.8 |
2.1 |
0.487 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]B:302 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12469 |
70.0 |
1.8 |
0.291 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
11559 |
66.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.189 |
24 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
11727 |
65.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.189 |
Average: |
65.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.189 |
17 |
25 |
|
D |
7 |
4 |
11727 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
10 |
4 |
11559 |
61.3 |
0.5 |
0.729 |
2 |
2 |
0 |
0.000 |
18 |
26 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12491 |
52.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.098 |
19 |
27 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11559 |
38.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.226 |
28 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12469 |
32.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
29 |
|
[CA]C:301 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12491 |
31.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
33.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.226 |
20 |
30 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
11559 |
35.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.085 |
31 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
11727 |
34.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
35.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.085 |
21 |
32 |
|
[CL]C:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12469 |
32.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.056 |
22 |
33 |
|
D |
6 |
2 |
11727 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
4 |
2 |
12469 |
25.8 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
3 |
2 |
12491 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
5 |
2 |
11559 |
21.7 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
Average: |
23.8 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[CA]C:301 |
1 |
1 |
85 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
12491 |
24.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
1 |
1 |
12469 |
◊ |
[CA]B:301 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
85 |
23.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
24.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12469 |
23.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.112 |
38 |
|
[CA]B:301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11559 |
19.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.112 |
39 |
|
[CA]C:301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11727 |
19.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
20.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.112 |
25 |
40 |
|
[EDO]D:303 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11559 |
22.6 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
B |
2 |
1 |
12469 |
◊ |
C |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
12491 |
20.3 |
-0.6 |
0.204 |
0 |
0 |
0 |
0.000 |
27 |
42 |
|
[EDO]B:302 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11559 |
14.9 |
0.8 |
0.978 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[EDO]D:303 |
1 |
1 |
184 |
f |
[EDO]B:302 |
x,y,z |
1_555 |
2 |
1 |
186 |
6.0 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[EDO]D:303 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12491 |
1.1 |
0.1 |
0.847 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[EDO]D:303 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
12469 |
0.4 |
0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
|