## |
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 |
222 |
58 |
10833 |
◊ |
C |
x,y,z |
1_555 |
222 |
59 |
10202 |
2339.0 |
-47.1 |
0.003 |
14 |
2 |
0 |
0.845 |
2 |
|
B |
221 |
58 |
10774 |
◊ |
A |
x,y,z |
1_555 |
218 |
59 |
10196 |
2327.0 |
-47.0 |
0.003 |
14 |
2 |
0 |
0.845 |
Average: |
2333.0 |
-47.1 |
0.003 |
14 |
2 |
0 |
0.845 |
2 |
3 |
|
C |
129 |
33 |
10202 |
◊ |
B |
x,y,z |
1_555 |
129 |
34 |
10774 |
1107.8 |
-9.8 |
0.623 |
10 |
0 |
0 |
0.743 |
4 |
|
D |
127 |
32 |
10833 |
◊ |
A |
x,y,z |
1_555 |
127 |
33 |
10196 |
1102.8 |
-10.3 |
0.581 |
10 |
0 |
0 |
0.743 |
Average: |
1105.3 |
-10.0 |
0.602 |
10 |
0 |
0 |
0.743 |
3 |
5 |
|
D |
55 |
17 |
10833 |
◊ |
B |
x,y,z |
1_555 |
55 |
18 |
10774 |
435.2 |
-0.0 |
0.824 |
8 |
10 |
0 |
0.057 |
6 |
|
C |
49 |
17 |
10202 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
10196 |
431.4 |
0.9 |
0.843 |
9 |
10 |
0 |
0.057 |
Average: |
433.3 |
0.5 |
0.833 |
9 |
10 |
0 |
0.057 |
4 |
7 |
|
D |
36 |
8 |
10833 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
39 |
15 |
10196 |
344.9 |
-2.8 |
0.532 |
5 |
2 |
0 |
0.000 |
8 |
|
B |
37 |
8 |
10774 |
◊ |
C |
-x+5/2,-y+1,z-1/2 |
2_764 |
37 |
15 |
10202 |
333.5 |
-3.3 |
0.514 |
4 |
3 |
0 |
0.000 |
Average: |
339.2 |
-3.0 |
0.523 |
5 |
3 |
0 |
0.000 |
5 |
9 |
|
[CMK]C:500 |
28 |
1 |
620 |
f |
C |
x,y,z |
1_555 |
39 |
17 |
10202 |
292.9 |
-2.4 |
0.560 |
10 |
0 |
0 |
0.692 |
10 |
|
[CMK]B:500 |
27 |
1 |
622 |
f |
B |
x,y,z |
1_555 |
38 |
17 |
10774 |
290.4 |
-2.4 |
0.571 |
9 |
0 |
0 |
0.692 |
11 |
|
[CMK]A:500 |
27 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
38 |
16 |
10196 |
289.1 |
-2.3 |
0.564 |
9 |
0 |
0 |
0.692 |
12 |
|
[CMK]D:500 |
27 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
38 |
15 |
10833 |
289.1 |
-2.3 |
0.570 |
10 |
0 |
0 |
0.692 |
Average: |
290.4 |
-2.4 |
0.566 |
10 |
0 |
0 |
0.692 |
6 |
13 |
|
D |
25 |
9 |
10833 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
23 |
7 |
10774 |
222.9 |
-3.3 |
0.338 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
23 |
7 |
10774 |
◊ |
D |
-x+5/2,-y+1,z-1/2 |
2_764 |
21 |
7 |
10833 |
184.7 |
-3.0 |
0.337 |
0 |
0 |
0 |
0.000 |
Average: |
203.8 |
-3.1 |
0.338 |
0 |
0 |
0 |
0.000 |
7 |
15 |
|
[CMK]A:500 |
17 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
10774 |
137.5 |
-1.2 |
0.548 |
3 |
0 |
0 |
0.077 |
16 |
|
[CMK]B:500 |
18 |
1 |
622 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
10196 |
135.2 |
-1.2 |
0.540 |
3 |
0 |
0 |
0.077 |
17 |
|
[CMK]C:500 |
17 |
1 |
620 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
10833 |
134.9 |
-0.6 |
0.638 |
3 |
0 |
0 |
0.077 |
18 |
|
[CMK]D:500 |
18 |
1 |
624 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
10202 |
134.4 |
-1.2 |
0.538 |
3 |
0 |
0 |
0.077 |
Average: |
135.5 |
-1.0 |
0.566 |
3 |
0 |
0 |
0.077 |
8 |
19 |
|
C |
13 |
4 |
10202 |
◊ |
D |
x-1,y,z |
1_455 |
24 |
6 |
10833 |
136.8 |
1.5 |
0.862 |
1 |
0 |
0 |
0.000 |
20 |
|
B |
24 |
6 |
10774 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
5 |
10196 |
132.5 |
1.7 |
0.866 |
1 |
0 |
0 |
0.000 |
Average: |
134.7 |
1.6 |
0.864 |
1 |
0 |
0 |
0.000 |
9 |
21 |
|
C |
11 |
5 |
10202 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
5 |
10196 |
114.2 |
1.0 |
0.829 |
0 |
2 |
0 |
0.000 |
10 |
22 |
|
[EDO]D:501 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
10833 |
110.7 |
3.7 |
0.707 |
5 |
0 |
0 |
0.000 |
11 |
23 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
10774 |
109.8 |
3.6 |
0.518 |
6 |
0 |
0 |
0.000 |
12 |
24 |
|
[EDO]D:502 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
10833 |
91.7 |
2.6 |
0.495 |
3 |
0 |
0 |
0.000 |
13 |
25 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
10196 |
83.8 |
2.5 |
0.479 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
[EDO]B:501 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10774 |
82.5 |
2.3 |
0.301 |
5 |
0 |
0 |
0.000 |
15 |
27 |
|
[EDO]B:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10774 |
82.3 |
2.0 |
0.298 |
3 |
0 |
0 |
0.000 |
16 |
28 |
|
[EDO]C:501 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
10202 |
81.7 |
3.2 |
0.529 |
1 |
0 |
0 |
0.000 |
17 |
29 |
|
[EDO]A:502 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
10202 |
54.8 |
1.9 |
0.912 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[EDO]A:501 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
10196 |
54.2 |
1.9 |
0.892 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
10774 |
53.0 |
1.3 |
0.735 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[CMK]D:500 |
9 |
1 |
624 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
10774 |
52.0 |
-1.2 |
0.447 |
0 |
0 |
0 |
0.027 |
33 |
|
[CMK]B:500 |
9 |
1 |
622 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
10833 |
51.1 |
-1.1 |
0.461 |
0 |
0 |
0 |
0.027 |
34 |
|
[CMK]A:500 |
8 |
1 |
626 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
10202 |
50.3 |
-1.2 |
0.432 |
0 |
0 |
0 |
0.027 |
35 |
|
[CMK]C:500 |
7 |
1 |
620 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
10196 |
50.1 |
-1.2 |
0.427 |
0 |
0 |
0 |
0.027 |
Average: |
50.9 |
-1.2 |
0.442 |
0 |
0 |
0 |
0.027 |
21 |
36 |
|
[EDO]A:502 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
10196 |
50.1 |
1.0 |
0.735 |
1 |
0 |
0 |
0.000 |
22 |
37 |
|
[EDO]A:501 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
10202 |
49.6 |
0.7 |
0.740 |
2 |
0 |
0 |
0.012 |
23 |
38 |
|
[EDO]A:501 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
10774 |
46.8 |
1.0 |
0.704 |
0 |
0 |
0 |
0.000 |
24 |
39 |
|
[EDO]A:502 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
10833 |
45.2 |
1.1 |
0.707 |
0 |
0 |
0 |
0.000 |
25 |
40 |
|
A |
2 |
1 |
10196 |
◊ |
D |
-x+5/2,-y+1,z-1/2 |
2_764 |
1 |
1 |
10833 |
15.8 |
0.4 |
0.837 |
0 |
0 |
0 |
0.000 |
41 |
|
C |
2 |
1 |
10202 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
10774 |
13.8 |
0.3 |
0.821 |
0 |
0 |
0 |
0.000 |
Average: |
14.8 |
0.3 |
0.829 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[EDO]A:501 |
1 |
1 |
181 |
◊ |
[CMK]A:500 |
x,y,z |
1_555 |
1 |
1 |
626 |
5.7 |
-0.1 |
0.454 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[EDO]A:502 |
1 |
1 |
186 |
f |
[CMK]C:500 |
x,y,z |
1_555 |
1 |
1 |
620 |
2.7 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.002 |
28 |
44 |
|
D |
1 |
1 |
10833 |
◊ |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
1 |
1 |
10196 |
0.8 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|