## |
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 |
|
F |
149 |
40 |
7183 |
◊ |
E |
x,y,z |
1_555 |
146 |
41 |
7338 |
1466.8 |
-23.3 |
0.162 |
20 |
0 |
0 |
1.000 |
2 |
|
H |
147 |
39 |
7354 |
◊ |
G |
x,y,z |
1_555 |
143 |
38 |
7204 |
1464.4 |
-23.4 |
0.133 |
20 |
0 |
0 |
1.000 |
3 |
|
D |
144 |
39 |
7366 |
◊ |
C |
x,y,z |
1_555 |
146 |
39 |
7138 |
1462.4 |
-24.5 |
0.148 |
19 |
0 |
0 |
1.000 |
4 |
|
B |
141 |
38 |
7071 |
◊ |
A |
x,y,z |
1_555 |
143 |
38 |
7234 |
1451.7 |
-24.2 |
0.139 |
20 |
0 |
0 |
1.000 |
Average: |
1461.3 |
-23.9 |
0.145 |
20 |
0 |
0 |
1.000 |
2 |
5 |
|
G |
50 |
15 |
7204 |
◊ |
B |
x-1,y,z |
1_455 |
45 |
14 |
7071 |
433.0 |
2.4 |
0.966 |
8 |
17 |
0 |
0.000 |
6 |
|
A |
43 |
11 |
7234 |
◊ |
D |
x,y-1,z |
1_545 |
40 |
10 |
7366 |
390.0 |
2.7 |
0.955 |
7 |
16 |
0 |
0.000 |
Average: |
411.5 |
2.5 |
0.960 |
8 |
17 |
0 |
0.000 |
3 |
7 |
|
G |
43 |
13 |
7204 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
7234 |
428.1 |
-1.6 |
0.634 |
7 |
1 |
0 |
0.228 |
8 |
|
F |
38 |
12 |
7183 |
◊ |
D |
x,y,z |
1_555 |
52 |
16 |
7366 |
415.6 |
-0.2 |
0.721 |
8 |
2 |
0 |
0.228 |
9 |
|
D |
38 |
12 |
7366 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
7071 |
409.8 |
-1.1 |
0.712 |
8 |
1 |
0 |
0.228 |
10 |
|
G |
46 |
15 |
7204 |
◊ |
E |
x,y,z |
1_555 |
37 |
12 |
7338 |
398.9 |
-1.7 |
0.613 |
9 |
2 |
0 |
0.228 |
11 |
|
H |
50 |
15 |
7354 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
7071 |
397.2 |
-2.0 |
0.603 |
7 |
1 |
0 |
0.228 |
12 |
|
E |
46 |
14 |
7338 |
◊ |
C |
x,y,z |
1_555 |
38 |
12 |
7138 |
395.8 |
-0.4 |
0.748 |
6 |
0 |
0 |
0.228 |
13 |
|
C |
50 |
15 |
7138 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
7234 |
387.3 |
-1.7 |
0.616 |
7 |
1 |
0 |
0.228 |
14 |
|
H |
39 |
12 |
7354 |
◊ |
F |
x,y,z |
1_555 |
49 |
13 |
7183 |
374.7 |
-2.4 |
0.563 |
6 |
0 |
0 |
0.228 |
Average: |
400.9 |
-1.4 |
0.651 |
7 |
1 |
0 |
0.228 |
4 |
15 |
|
G |
26 |
9 |
7204 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
19 |
6 |
7338 |
179.3 |
-0.1 |
0.677 |
1 |
0 |
0 |
0.000 |
16 |
|
H |
20 |
5 |
7354 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
23 |
8 |
7183 |
178.3 |
-0.6 |
0.675 |
1 |
0 |
0 |
0.000 |
Average: |
178.8 |
-0.4 |
0.676 |
1 |
0 |
0 |
0.000 |
5 |
17 |
|
G |
12 |
4 |
7204 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
7183 |
119.2 |
-2.0 |
0.381 |
0 |
0 |
0 |
0.046 |
18 |
|
E |
10 |
5 |
7338 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
7366 |
115.9 |
-2.0 |
0.349 |
0 |
0 |
0 |
0.046 |
19 |
|
H |
11 |
4 |
7354 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7234 |
109.0 |
-2.0 |
0.350 |
0 |
0 |
0 |
0.046 |
20 |
|
C |
10 |
4 |
7138 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
7071 |
101.6 |
-1.7 |
0.416 |
0 |
0 |
0 |
0.046 |
Average: |
111.4 |
-1.9 |
0.374 |
0 |
0 |
0 |
0.046 |
6 |
21 |
|
A |
14 |
3 |
7234 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
15 |
3 |
7338 |
117.0 |
1.0 |
0.829 |
2 |
1 |
0 |
0.000 |
22 |
|
H |
13 |
2 |
7354 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
10 |
3 |
7366 |
97.5 |
0.2 |
0.740 |
1 |
2 |
0 |
0.000 |
Average: |
107.2 |
0.6 |
0.784 |
2 |
2 |
0 |
0.000 |
7 |
23 |
|
[EDO]H:201 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
16 |
10 |
7354 |
114.7 |
3.8 |
0.724 |
3 |
0 |
0 |
0.000 |
8 |
24 |
|
[EDO]A:201 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
7234 |
113.9 |
4.6 |
0.808 |
3 |
0 |
0 |
0.000 |
9 |
25 |
|
[EDO]C:202 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
7138 |
97.7 |
3.0 |
0.546 |
1 |
0 |
0 |
0.000 |
10 |
26 |
|
[EDO]C:201 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
7138 |
92.2 |
2.9 |
0.548 |
2 |
0 |
0 |
0.000 |
11 |
27 |
|
[EDO]F:201 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
15 |
7 |
7183 |
88.5 |
2.6 |
0.309 |
2 |
0 |
0 |
0.000 |
12 |
28 |
|
H |
10 |
4 |
7354 |
◊ |
E |
x,y-1,z |
1_545 |
8 |
4 |
7338 |
79.4 |
-0.5 |
0.616 |
0 |
0 |
0 |
0.000 |
29 |
|
F |
4 |
1 |
7183 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
7138 |
22.2 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
Average: |
50.8 |
-0.3 |
0.588 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
[EDO]D:201 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
7366 |
62.3 |
1.4 |
0.693 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
A |
7 |
2 |
7234 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
7138 |
60.1 |
-1.8 |
0.154 |
0 |
0 |
0 |
0.000 |
15 |
32 |
|
D |
6 |
2 |
7366 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7234 |
57.1 |
-1.6 |
0.182 |
0 |
0 |
0 |
0.039 |
33 |
|
F |
6 |
2 |
7183 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7138 |
56.8 |
-1.6 |
0.185 |
0 |
0 |
0 |
0.039 |
34 |
|
H |
6 |
2 |
7354 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
7338 |
56.1 |
-1.6 |
0.153 |
0 |
0 |
0 |
0.039 |
35 |
|
G |
6 |
2 |
7204 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7071 |
55.5 |
-1.6 |
0.189 |
0 |
0 |
0 |
0.039 |
Average: |
56.4 |
-1.6 |
0.177 |
0 |
0 |
0 |
0.039 |
16 |
36 |
|
[EDO]F:201 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
7366 |
55.5 |
1.4 |
0.895 |
2 |
0 |
0 |
0.000 |
17 |
37 |
|
[EDO]D:201 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
7138 |
51.4 |
1.0 |
0.469 |
1 |
0 |
0 |
0.000 |
18 |
38 |
|
[EDO]C:202 |
3 |
1 |
185 |
f |
[EDO]C:201 |
x,y,z |
1_555 |
3 |
1 |
186 |
28.5 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
19 |
39 |
|
G |
3 |
1 |
7204 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
7138 |
5.5 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
|