## |
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 |
223 |
59 |
12466 |
◊ |
C |
x,y,z |
1_555 |
220 |
60 |
12896 |
2037.7 |
-18.0 |
0.133 |
29 |
10 |
0 |
0.422 |
2 |
|
B |
222 |
60 |
13142 |
◊ |
A |
x,y,z |
1_555 |
224 |
61 |
13067 |
2018.1 |
-17.2 |
0.211 |
31 |
12 |
0 |
0.422 |
Average: |
2027.9 |
-17.6 |
0.172 |
30 |
11 |
0 |
0.422 |
2 |
3 |
|
C |
126 |
32 |
12896 |
◊ |
A |
x,y,z |
1_555 |
129 |
34 |
13067 |
1290.4 |
-14.4 |
0.085 |
11 |
2 |
0 |
0.303 |
4 |
|
D |
124 |
33 |
12466 |
◊ |
B |
x,y,z |
1_555 |
121 |
34 |
13142 |
1266.5 |
-14.9 |
0.069 |
11 |
3 |
0 |
0.303 |
Average: |
1278.4 |
-14.6 |
0.077 |
11 |
3 |
0 |
0.303 |
3 |
5 |
|
[HY0]D:303 |
35 |
1 |
681 |
f |
D |
x,y,z |
1_555 |
67 |
20 |
12466 |
459.1 |
-3.4 |
0.570 |
8 |
0 |
0 |
0.194 |
6 |
|
[HY0]A:303 |
36 |
1 |
686 |
f |
A |
x,y,z |
1_555 |
67 |
19 |
13067 |
450.8 |
-2.5 |
0.618 |
7 |
0 |
0 |
0.194 |
7 |
|
[HY0]B:303 |
36 |
1 |
680 |
f |
B |
x,y,z |
1_555 |
66 |
20 |
13142 |
449.3 |
-3.0 |
0.591 |
6 |
0 |
0 |
0.194 |
8 |
|
[HY0]C:303 |
35 |
1 |
689 |
f |
C |
x,y,z |
1_555 |
68 |
21 |
12896 |
447.7 |
-3.9 |
0.543 |
8 |
0 |
0 |
0.194 |
Average: |
451.7 |
-3.2 |
0.581 |
7 |
0 |
0 |
0.194 |
4 |
9 |
|
B |
47 |
15 |
13142 |
x |
B |
x-1,y,z |
1_455 |
30 |
6 |
13142 |
341.3 |
-3.2 |
0.250 |
5 |
4 |
0 |
0.000 |
10 |
|
A |
24 |
6 |
13067 |
x |
A |
x-1,y,z |
1_455 |
38 |
13 |
13067 |
294.0 |
-3.2 |
0.186 |
5 |
4 |
0 |
0.000 |
11 |
|
C |
19 |
6 |
12896 |
x |
C |
x-1,y,z |
1_455 |
7 |
3 |
12896 |
130.1 |
-2.3 |
0.056 |
0 |
0 |
0 |
0.000 |
Average: |
255.1 |
-2.9 |
0.164 |
3 |
3 |
0 |
0.000 |
5 |
12 |
|
B |
33 |
12 |
13142 |
◊ |
A |
-x,y-1/2,-z+5/2 |
3_547 |
31 |
10 |
13067 |
285.7 |
0.0 |
0.667 |
2 |
2 |
0 |
0.000 |
6 |
13 |
|
D |
25 |
9 |
12466 |
◊ |
C |
x-1/2,-y+7/2,-z+2 |
4_487 |
21 |
9 |
12896 |
222.2 |
1.0 |
0.753 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
D |
17 |
6 |
12466 |
◊ |
B |
-x+1,y-1/2,-z+5/2 |
3_647 |
25 |
8 |
13142 |
194.1 |
-0.8 |
0.366 |
3 |
0 |
0 |
0.000 |
8 |
15 |
|
[AKG]C:302 |
10 |
1 |
285 |
f |
C |
x,y,z |
1_555 |
28 |
17 |
12896 |
167.0 |
0.2 |
0.344 |
9 |
0 |
0 |
0.056 |
9 |
16 |
|
[AKG]B:302 |
10 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
28 |
18 |
13142 |
165.8 |
0.0 |
0.302 |
7 |
0 |
0 |
0.094 |
17 |
|
[AKG]A:302 |
10 |
1 |
285 |
f |
A |
x,y,z |
1_555 |
28 |
17 |
13067 |
164.7 |
0.1 |
0.291 |
7 |
0 |
0 |
0.094 |
18 |
|
[AKG]D:302 |
10 |
1 |
287 |
f |
D |
x,y,z |
1_555 |
30 |
17 |
12466 |
161.8 |
-0.1 |
0.316 |
7 |
0 |
0 |
0.094 |
Average: |
164.1 |
0.0 |
0.303 |
7 |
0 |
0 |
0.094 |
10 |
19 |
|
D |
16 |
5 |
12466 |
◊ |
A |
-x+1,y-1/2,-z+5/2 |
3_647 |
14 |
4 |
13067 |
135.7 |
-1.5 |
0.356 |
0 |
1 |
0 |
0.000 |
11 |
20 |
|
C |
15 |
4 |
12896 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
13142 |
121.2 |
-0.4 |
0.571 |
4 |
0 |
0 |
0.022 |
21 |
|
D |
14 |
4 |
12466 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
13067 |
119.5 |
-0.4 |
0.570 |
4 |
0 |
0 |
0.022 |
Average: |
120.4 |
-0.4 |
0.570 |
4 |
0 |
0 |
0.022 |
12 |
22 |
|
C |
6 |
1 |
12896 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
2 |
13067 |
61.9 |
0.7 |
0.775 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
B |
5 |
1 |
13142 |
◊ |
A |
-x+1,y-1/2,-z+5/2 |
3_647 |
4 |
1 |
13067 |
44.8 |
1.1 |
0.843 |
1 |
2 |
0 |
0.000 |
14 |
24 |
|
[NI]B:301 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
13142 |
42.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.222 |
25 |
|
[NI]C:301 |
1 |
1 |
115 |
cf |
C |
x,y,z |
1_555 |
10 |
7 |
12896 |
42.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.222 |
26 |
|
[NI]D:301 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
12466 |
41.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.222 |
27 |
|
[NI]A:301 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
13067 |
41.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.222 |
Average: |
42.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.222 |
15 |
28 |
|
[AKG]B:302 |
4 |
1 |
288 |
f |
[NI]B:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.120 |
29 |
|
[AKG]A:302 |
4 |
1 |
285 |
f |
[NI]A:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.120 |
30 |
|
[AKG]D:302 |
4 |
1 |
287 |
f |
[NI]D:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
32.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.120 |
31 |
|
[AKG]C:302 |
4 |
1 |
285 |
f |
[NI]C:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
31.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
32.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.120 |
16 |
32 |
|
[HY0]A:303 |
9 |
1 |
686 |
f |
[AKG]A:302 |
x,y,z |
1_555 |
3 |
1 |
285 |
30.9 |
-0.2 |
0.457 |
0 |
0 |
0 |
0.007 |
33 |
|
[HY0]B:303 |
8 |
1 |
680 |
f |
[AKG]B:302 |
x,y,z |
1_555 |
3 |
1 |
288 |
30.1 |
-0.2 |
0.452 |
0 |
0 |
0 |
0.007 |
34 |
|
[HY0]D:303 |
9 |
1 |
681 |
f |
[AKG]D:302 |
x,y,z |
1_555 |
3 |
1 |
287 |
30.0 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.007 |
Average: |
30.3 |
-0.2 |
0.466 |
0 |
0 |
0 |
0.007 |
17 |
35 |
|
[HY0]C:303 |
8 |
1 |
689 |
f |
[AKG]C:302 |
x,y,z |
1_555 |
3 |
1 |
285 |
30.7 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.007 |
18 |
36 |
|
[HY0]C:303 |
7 |
1 |
689 |
f |
[NI]C:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
19.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.068 |
37 |
|
[HY0]D:303 |
7 |
1 |
681 |
f |
[NI]D:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
18.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.068 |
38 |
|
[HY0]B:303 |
7 |
1 |
680 |
f |
[NI]B:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
17.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.068 |
39 |
|
[HY0]A:303 |
6 |
1 |
686 |
f |
[NI]A:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
17.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
18.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.068 |
19 |
40 |
|
C |
2 |
1 |
12896 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
12466 |
19.0 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
1 |
1 |
13142 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
13067 |
7.8 |
-0.0 |
0.469 |
0 |
0 |
0 |
0.000 |
Average: |
13.4 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
20 |
42 |
|
A |
3 |
1 |
13067 |
◊ |
[HY0]A:303 |
x-1,y,z |
1_455 |
1 |
1 |
686 |
14.3 |
-0.5 |
0.302 |
0 |
0 |
0 |
0.000 |
43 |
|
[HY0]B:303 |
1 |
1 |
680 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
13142 |
14.2 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
-0.2 |
0.502 |
0 |
0 |
0 |
0.000 |
21 |
44 |
|
D |
1 |
1 |
12466 |
◊ |
B |
-x,y-1/2,-z+5/2 |
3_547 |
1 |
1 |
13142 |
1.7 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
|