## |
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 |
101 |
28 |
8702 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
106 |
29 |
8935 |
1006.4 |
-8.1 |
0.383 |
13 |
5 |
0 |
0.260 |
2 |
|
B |
99 |
30 |
8842 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
99 |
30 |
8842 |
959.0 |
-8.1 |
0.397 |
10 |
4 |
0 |
0.260 |
Average: |
982.7 |
-8.1 |
0.390 |
12 |
5 |
0 |
0.260 |
2 |
3 |
|
B |
60 |
18 |
8842 |
◊ |
A |
x,y,z |
1_555 |
74 |
22 |
8935 |
676.9 |
-11.2 |
0.065 |
3 |
0 |
0 |
0.560 |
4 |
|
C |
62 |
19 |
8702 |
◊ |
B |
x,y,z |
1_555 |
70 |
20 |
8842 |
671.0 |
-10.2 |
0.098 |
3 |
0 |
0 |
0.560 |
5 |
|
C |
64 |
19 |
8702 |
◊ |
A |
x,y,z |
1_555 |
62 |
19 |
8935 |
640.4 |
-9.5 |
0.102 |
3 |
0 |
0 |
0.560 |
Average: |
662.7 |
-10.3 |
0.088 |
3 |
0 |
0 |
0.560 |
3 |
6 |
|
[COA]A:201 |
45 |
1 |
914 |
f |
A |
x,y,z |
1_555 |
68 |
26 |
8935 |
540.5 |
-3.1 |
0.420 |
16 |
0 |
0 |
0.287 |
7 |
|
[COA]C:201 |
46 |
1 |
900 |
f |
C |
x,y,z |
1_555 |
62 |
26 |
8702 |
530.8 |
-0.5 |
0.553 |
16 |
0 |
0 |
0.287 |
Average: |
535.7 |
-1.8 |
0.487 |
16 |
0 |
0 |
0.287 |
4 |
8 |
|
[COA]B:201 |
44 |
1 |
904 |
f |
B |
x,y,z |
1_555 |
66 |
26 |
8842 |
517.9 |
-2.3 |
0.527 |
15 |
0 |
0 |
0.144 |
5 |
9 |
|
A |
33 |
11 |
8935 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
29 |
12 |
8702 |
276.3 |
0.5 |
0.750 |
5 |
2 |
0 |
0.000 |
6 |
10 |
|
B |
25 |
7 |
8842 |
◊ |
A |
x,-y,-z |
4_555 |
26 |
9 |
8935 |
250.2 |
-0.5 |
0.625 |
2 |
2 |
0 |
0.000 |
7 |
11 |
|
B |
19 |
6 |
8842 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
21 |
7 |
8935 |
176.7 |
-3.2 |
0.217 |
0 |
0 |
0 |
0.048 |
12 |
|
C |
17 |
4 |
8702 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
17 |
4 |
8702 |
142.3 |
-1.5 |
0.453 |
0 |
0 |
0 |
0.048 |
Average: |
159.5 |
-2.3 |
0.335 |
0 |
0 |
0 |
0.048 |
8 |
13 |
|
[PEG]A:211 |
7 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
8935 |
125.8 |
1.6 |
0.222 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[ACT]A:208 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
8935 |
124.8 |
-0.5 |
0.653 |
0 |
0 |
0 |
0.008 |
10 |
15 |
|
[DMS]A:202 |
4 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
8935 |
114.9 |
2.3 |
0.484 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
C |
14 |
6 |
8702 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
12 |
5 |
8842 |
112.0 |
0.7 |
0.724 |
0 |
3 |
0 |
0.000 |
12 |
17 |
|
[COA]A:201 |
9 |
1 |
914 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
8702 |
111.4 |
0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
18 |
|
[COA]C:201 |
8 |
1 |
900 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
8842 |
103.4 |
-0.3 |
0.293 |
0 |
0 |
0 |
0.000 |
Average: |
107.4 |
0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[DMS]A:204 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
8935 |
110.0 |
2.9 |
0.579 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[PEG]A:210 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
8935 |
109.9 |
1.1 |
0.201 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[ACT]B:204 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
8842 |
109.5 |
-1.1 |
0.622 |
0 |
0 |
0 |
0.018 |
16 |
22 |
|
[COA]B:201 |
10 |
1 |
904 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
8935 |
108.6 |
-1.1 |
0.318 |
0 |
0 |
0 |
0.017 |
17 |
23 |
|
[ACT]C:203 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
8702 |
107.8 |
-1.3 |
0.548 |
0 |
0 |
0 |
0.020 |
18 |
24 |
|
[DMS]B:203 |
4 |
1 |
209 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8842 |
102.7 |
2.9 |
0.553 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[DMS]A:203 |
4 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
8935 |
102.0 |
2.9 |
0.488 |
4 |
0 |
0 |
0.000 |
20 |
26 |
|
[DMS]A:205 |
4 |
1 |
210 |
f |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
16 |
6 |
8702 |
91.5 |
1.5 |
0.407 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[DMS]C:202 |
3 |
1 |
210 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
9 |
5 |
8935 |
84.8 |
2.9 |
0.532 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[PEG]A:209 |
6 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8935 |
81.7 |
1.4 |
0.220 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[DMS]B:202 |
4 |
1 |
210 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
8842 |
76.7 |
3.2 |
0.567 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[FMT]A:212 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8935 |
74.3 |
-0.3 |
0.387 |
0 |
0 |
0 |
0.005 |
25 |
31 |
|
[DMS]A:205 |
4 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
8935 |
69.9 |
2.2 |
0.441 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[PEG]A:209 |
6 |
1 |
259 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
13 |
3 |
8702 |
69.3 |
1.5 |
0.255 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[DMS]B:202 |
4 |
1 |
210 |
f |
B |
-x,y,-z+1/2 |
3_555 |
8 |
3 |
8842 |
68.9 |
-0.3 |
0.220 |
0 |
0 |
0 |
0.005 |
28 |
34 |
|
[DMS]C:202 |
3 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
8702 |
66.3 |
1.3 |
0.286 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[ACT]A:206 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
8935 |
66.2 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[ACT]A:206 |
4 |
1 |
182 |
f |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
10 |
5 |
8702 |
65.1 |
-1.2 |
0.554 |
0 |
0 |
0 |
0.019 |
31 |
37 |
|
[DMS]A:204 |
4 |
1 |
208 |
f |
B |
x,-y,-z |
4_555 |
9 |
3 |
8842 |
55.1 |
0.4 |
0.325 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[ACT]A:207 |
3 |
1 |
184 |
◊ |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
9 |
2 |
8702 |
48.0 |
0.4 |
0.730 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
A |
6 |
2 |
8935 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
8935 |
44.6 |
-0.8 |
0.408 |
0 |
0 |
0 |
0.005 |
34 |
40 |
|
[DMS]B:203 |
3 |
1 |
209 |
f |
A |
x,-y,-z |
4_555 |
7 |
2 |
8935 |
34.8 |
-0.2 |
0.318 |
0 |
0 |
0 |
0.004 |
35 |
41 |
|
[PEG]A:209 |
5 |
1 |
259 |
f |
[ACT]A:207 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.7 |
-0.4 |
0.124 |
1 |
0 |
0 |
0.014 |
36 |
42 |
|
[PEG]A:210 |
2 |
1 |
256 |
f |
C |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
8702 |
32.7 |
-0.0 |
0.087 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[ACT]A:207 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
8935 |
32.0 |
-0.4 |
0.593 |
0 |
0 |
0 |
0.006 |
38 |
44 |
|
[PEG]A:210 |
4 |
1 |
256 |
◊ |
[PEG]A:209 |
x,y,z |
1_555 |
4 |
1 |
259 |
31.6 |
1.2 |
0.107 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[PEG]A:209 |
3 |
1 |
259 |
◊ |
[DMS]A:203 |
x,y,z |
1_555 |
3 |
1 |
210 |
27.9 |
0.8 |
0.167 |
1 |
0 |
0 |
0.000 |
40 |
46 |
|
[FMT]A:212 |
3 |
1 |
150 |
◊ |
[PEG]A:210 |
x,y,z |
1_555 |
3 |
1 |
256 |
26.1 |
0.9 |
0.348 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[COA]B:201 |
4 |
1 |
904 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8702 |
19.5 |
-0.6 |
0.499 |
0 |
0 |
0 |
0.009 |
42 |
48 |
|
B |
5 |
1 |
8842 |
◊ |
B |
x,-y,-z |
4_555 |
5 |
1 |
8842 |
16.0 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[COA]C:201 |
2 |
1 |
900 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8935 |
13.8 |
0.0 |
0.492 |
0 |
0 |
0 |
0.001 |
50 |
|
[COA]A:201 |
3 |
1 |
914 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8842 |
6.5 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.001 |
Average: |
10.1 |
-0.0 |
0.510 |
0 |
0 |
0 |
0.001 |
44 |
51 |
|
[PEG]A:211 |
2 |
1 |
254 |
f |
[ACT]A:206 |
x,y,z |
1_555 |
3 |
1 |
182 |
9.5 |
0.2 |
0.290 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[PEG]A:210 |
1 |
1 |
256 |
f |
[DMS]A:203 |
x,y,z |
1_555 |
1 |
1 |
210 |
3.2 |
0.2 |
0.189 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[FMT]A:212 |
1 |
1 |
150 |
◊ |
[ACT]A:206 |
x,y,z |
1_555 |
1 |
1 |
182 |
2.1 |
-0.0 |
0.408 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[ACT]A:207 |
1 |
1 |
184 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
8842 |
1.7 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|