## |
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 |
|
H |
117 |
32 |
11025 |
◊ |
C |
x,y,z |
1_555 |
120 |
32 |
10473 |
1147.4 |
-14.6 |
0.165 |
16 |
0 |
0 |
1.000 |
2 |
|
J |
116 |
32 |
10901 |
◊ |
E |
x,y,z |
1_555 |
117 |
31 |
10619 |
1120.3 |
-13.0 |
0.239 |
16 |
0 |
0 |
1.000 |
3 |
|
I |
118 |
32 |
10539 |
◊ |
D |
x,y,z |
1_555 |
120 |
32 |
10898 |
1117.4 |
-14.8 |
0.169 |
13 |
0 |
0 |
1.000 |
4 |
|
F |
112 |
30 |
10828 |
◊ |
A |
x,y,z |
1_555 |
117 |
31 |
10990 |
1097.3 |
-13.3 |
0.191 |
14 |
0 |
0 |
1.000 |
5 |
|
G |
111 |
30 |
10290 |
◊ |
B |
x,y,z |
1_555 |
112 |
30 |
10752 |
1089.4 |
-12.9 |
0.207 |
14 |
0 |
0 |
1.000 |
Average: |
1114.4 |
-13.7 |
0.194 |
15 |
0 |
0 |
1.000 |
2 |
6 |
|
H |
72 |
22 |
11025 |
◊ |
G |
x,y,z |
1_555 |
72 |
20 |
10290 |
712.1 |
-9.7 |
0.156 |
3 |
0 |
0 |
0.590 |
7 |
|
B |
72 |
20 |
10752 |
◊ |
A |
x,y,z |
1_555 |
74 |
21 |
10990 |
705.7 |
-9.6 |
0.176 |
3 |
0 |
0 |
0.590 |
8 |
|
C |
73 |
20 |
10473 |
◊ |
B |
x,y,z |
1_555 |
76 |
23 |
10752 |
702.9 |
-10.0 |
0.155 |
3 |
0 |
0 |
0.590 |
9 |
|
J |
70 |
20 |
10901 |
◊ |
F |
x,y,z |
1_555 |
71 |
21 |
10828 |
698.7 |
-9.3 |
0.155 |
4 |
0 |
0 |
0.590 |
10 |
|
J |
71 |
22 |
10901 |
◊ |
I |
x,y,z |
1_555 |
70 |
20 |
10539 |
687.7 |
-8.7 |
0.225 |
4 |
0 |
0 |
0.590 |
11 |
|
E |
70 |
20 |
10619 |
◊ |
D |
x,y,z |
1_555 |
69 |
21 |
10898 |
668.5 |
-8.7 |
0.194 |
3 |
0 |
0 |
0.590 |
12 |
|
E |
53 |
18 |
10619 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
10990 |
508.2 |
-7.1 |
0.165 |
3 |
0 |
0 |
0.590 |
13 |
|
I |
47 |
15 |
10539 |
◊ |
H |
x,y,z |
1_555 |
50 |
14 |
11025 |
478.3 |
-6.4 |
0.141 |
3 |
0 |
0 |
0.590 |
14 |
|
D |
49 |
13 |
10898 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
10473 |
472.4 |
-6.5 |
0.142 |
4 |
0 |
0 |
0.590 |
15 |
|
G |
47 |
15 |
10290 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
10828 |
470.9 |
-6.4 |
0.143 |
5 |
0 |
0 |
0.590 |
Average: |
610.5 |
-8.3 |
0.165 |
4 |
0 |
0 |
0.590 |
3 |
16 |
|
C |
49 |
13 |
10473 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
52 |
15 |
10990 |
483.1 |
-1.9 |
0.547 |
3 |
2 |
0 |
0.000 |
4 |
17 |
|
H |
41 |
10 |
11025 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
11 |
10901 |
340.8 |
0.4 |
0.797 |
4 |
3 |
0 |
0.000 |
5 |
18 |
|
B |
31 |
11 |
10752 |
◊ |
I |
x-1,y,z-1 |
1_454 |
27 |
11 |
10539 |
225.0 |
-1.2 |
0.622 |
1 |
0 |
0 |
0.000 |
6 |
19 |
|
B |
19 |
8 |
10752 |
◊ |
G |
x-1,y,z |
1_455 |
16 |
7 |
10290 |
181.4 |
1.1 |
0.836 |
2 |
4 |
0 |
0.000 |
20 |
|
C |
18 |
8 |
10473 |
◊ |
H |
x-1,y,z |
1_455 |
18 |
8 |
11025 |
166.3 |
1.6 |
0.869 |
2 |
6 |
0 |
0.000 |
Average: |
173.8 |
1.4 |
0.852 |
2 |
5 |
0 |
0.000 |
7 |
21 |
|
G |
17 |
5 |
10290 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
5 |
10898 |
134.6 |
-0.7 |
0.592 |
1 |
0 |
0 |
0.000 |
8 |
22 |
|
A |
11 |
3 |
10990 |
◊ |
F |
x-1,y,z |
1_455 |
13 |
5 |
10828 |
126.0 |
1.7 |
0.887 |
2 |
4 |
0 |
0.000 |
23 |
|
D |
13 |
5 |
10898 |
◊ |
I |
x-1,y,z |
1_455 |
14 |
4 |
10539 |
124.3 |
1.8 |
0.891 |
2 |
4 |
0 |
0.000 |
Average: |
125.2 |
1.8 |
0.889 |
2 |
4 |
0 |
0.000 |
9 |
24 |
|
[EDO]E:272 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
22 |
15 |
10619 |
121.5 |
3.4 |
0.637 |
1 |
0 |
0 |
0.000 |
10 |
25 |
|
[EDO]I:272 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
20 |
13 |
10539 |
117.9 |
3.2 |
0.437 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]C:272 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
12 |
10473 |
115.3 |
3.1 |
0.412 |
1 |
0 |
0 |
0.000 |
Average: |
116.6 |
3.2 |
0.425 |
1 |
0 |
0 |
0.000 |
11 |
27 |
|
[EDO]J:273 |
4 |
1 |
184 |
f |
J |
x,y,z |
1_555 |
20 |
13 |
10901 |
117.5 |
3.4 |
0.627 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]G:273 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
18 |
12 |
10290 |
116.1 |
3.2 |
0.426 |
0 |
0 |
0 |
0.000 |
Average: |
116.8 |
3.3 |
0.527 |
1 |
0 |
0 |
0.000 |
12 |
29 |
|
G |
12 |
4 |
10290 |
◊ |
I |
x,y,z-1 |
1_554 |
15 |
4 |
10539 |
117.0 |
-0.1 |
0.643 |
1 |
0 |
0 |
0.000 |
13 |
30 |
|
C |
14 |
6 |
10473 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
13 |
4 |
10828 |
113.7 |
-1.2 |
0.458 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
H |
14 |
4 |
11025 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
11 |
5 |
10990 |
109.6 |
-1.3 |
0.432 |
0 |
0 |
0 |
0.000 |
15 |
32 |
|
[EDO]J:272 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
10901 |
89.6 |
2.6 |
0.280 |
2 |
0 |
0 |
0.000 |
16 |
33 |
|
[EDO]H:272 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
11025 |
89.4 |
2.7 |
0.490 |
2 |
0 |
0 |
0.000 |
17 |
34 |
|
[EDO]D:272 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
10898 |
88.8 |
2.5 |
0.279 |
2 |
0 |
0 |
0.000 |
18 |
35 |
|
[EDO]B:272 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10752 |
88.4 |
2.4 |
0.283 |
2 |
0 |
0 |
0.000 |
19 |
36 |
|
[EDO]G:272 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
10290 |
86.9 |
2.7 |
0.447 |
1 |
0 |
0 |
0.000 |
20 |
37 |
|
[EDO]A:272 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
10990 |
78.4 |
2.2 |
0.284 |
0 |
0 |
0 |
0.000 |
21 |
38 |
|
[EDO]A:272 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
3 |
10828 |
60.3 |
1.0 |
0.240 |
0 |
0 |
0 |
0.000 |
22 |
39 |
|
B |
5 |
2 |
10752 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
2 |
10898 |
51.6 |
-0.9 |
0.343 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
[EDO]G:272 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10752 |
49.9 |
1.1 |
0.839 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
[EDO]J:272 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
10619 |
48.9 |
1.3 |
0.837 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[EDO]H:272 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
10473 |
48.7 |
1.2 |
0.828 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[EDO]B:272 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
10290 |
48.6 |
1.3 |
0.845 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[EDO]D:272 |
4 |
1 |
183 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
10539 |
47.3 |
1.2 |
0.839 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[CL]I:273 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
12 |
3 |
10539 |
46.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.432 |
46 |
|
[CL]I:273 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
10898 |
45.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.432 |
Average: |
46.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.432 |
29 |
47 |
|
E |
5 |
3 |
10619 |
◊ |
J |
x-1,y,z |
1_455 |
3 |
3 |
10901 |
26.8 |
0.6 |
0.842 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
C |
2 |
1 |
10473 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
10290 |
15.7 |
0.3 |
0.780 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
H |
1 |
1 |
11025 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10898 |
3.6 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
50 |
|
I |
1 |
1 |
10539 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10619 |
0.2 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
|