## |
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 |
|
L |
184 |
57 |
10944 |
◊ |
H |
x,y,z |
1_555 |
168 |
51 |
12026 |
1588.6 |
-22.7 |
0.093 |
7 |
0 |
0 |
1.000 |
2 |
|
M |
166 |
49 |
11032 |
◊ |
I |
x,y,z |
1_555 |
159 |
49 |
11617 |
1504.6 |
-22.7 |
0.056 |
8 |
0 |
0 |
1.000 |
Average: |
1546.6 |
-22.7 |
0.075 |
8 |
0 |
0 |
1.000 |
2 |
3 |
|
A |
90 |
29 |
6788 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
85 |
26 |
6660 |
825.5 |
-4.8 |
0.455 |
6 |
6 |
0 |
0.137 |
3 |
4 |
|
I |
59 |
18 |
11617 |
◊ |
B |
x,y,z |
1_555 |
73 |
21 |
6660 |
612.6 |
-3.3 |
0.509 |
2 |
2 |
0 |
0.022 |
5 |
|
H |
65 |
18 |
12026 |
◊ |
A |
x,y,z |
1_555 |
73 |
21 |
6788 |
592.6 |
-4.4 |
0.472 |
6 |
2 |
0 |
0.022 |
Average: |
602.6 |
-3.8 |
0.491 |
4 |
2 |
0 |
0.022 |
4 |
6 |
|
I |
50 |
17 |
11617 |
◊ |
H |
x,y,z |
1_555 |
52 |
17 |
12026 |
465.0 |
-6.1 |
0.373 |
3 |
0 |
0 |
0.142 |
5 |
7 |
|
H |
40 |
13 |
12026 |
◊ |
I |
x-y,-y+1,-z |
8_565 |
42 |
15 |
11617 |
411.7 |
0.9 |
0.871 |
5 |
0 |
0 |
0.000 |
6 |
8 |
|
L |
39 |
12 |
10944 |
◊ |
A |
x,y,z |
1_555 |
35 |
13 |
6788 |
354.8 |
0.6 |
0.710 |
9 |
0 |
0 |
0.010 |
9 |
|
M |
38 |
12 |
11032 |
◊ |
B |
x,y,z |
1_555 |
40 |
14 |
6660 |
351.2 |
0.4 |
0.692 |
8 |
0 |
0 |
0.010 |
Average: |
353.0 |
0.5 |
0.701 |
9 |
0 |
0 |
0.010 |
7 |
10 |
|
A |
37 |
13 |
6788 |
◊ |
L |
x-y,x,z+1/6 |
6_555 |
42 |
12 |
10944 |
329.6 |
-4.5 |
0.257 |
1 |
0 |
0 |
0.162 |
11 |
|
M |
41 |
12 |
11032 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
34 |
12 |
6660 |
321.2 |
-4.6 |
0.232 |
1 |
0 |
0 |
0.162 |
Average: |
325.4 |
-4.5 |
0.245 |
1 |
0 |
0 |
0.162 |
8 |
12 |
|
M |
27 |
8 |
11032 |
◊ |
M |
x,x-y,-z+1/6 |
12_555 |
27 |
8 |
11032 |
283.6 |
-2.1 |
0.408 |
2 |
0 |
0 |
0.072 |
9 |
13 |
|
M |
27 |
10 |
11032 |
◊ |
L |
x,y,z |
1_555 |
25 |
8 |
10944 |
257.0 |
-1.0 |
0.539 |
2 |
0 |
0 |
0.035 |
10 |
14 |
|
[EDO]I:301 |
4 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
18 |
8 |
11617 |
91.7 |
3.0 |
0.334 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]A:501 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
6788 |
83.1 |
1.2 |
0.206 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]A:501 |
4 |
1 |
187 |
f |
B |
x-y,x,z+1/6 |
6_555 |
14 |
6 |
6660 |
80.7 |
1.0 |
0.193 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]H:301 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
9 |
12026 |
78.3 |
2.5 |
0.327 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
M |
6 |
3 |
11032 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6788 |
65.3 |
-0.7 |
0.390 |
0 |
0 |
0 |
0.012 |
19 |
|
L |
7 |
4 |
10944 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6660 |
28.4 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.012 |
Average: |
46.8 |
-0.4 |
0.499 |
0 |
0 |
0 |
0.012 |
15 |
20 |
|
[EDO]M:302 |
4 |
1 |
183 |
f |
M |
x,y,z |
1_555 |
6 |
3 |
11032 |
60.4 |
0.9 |
0.524 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]M:301 |
4 |
1 |
185 |
f |
M |
x,x-y,-z+1/6 |
12_555 |
8 |
3 |
11032 |
57.3 |
1.5 |
0.807 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]M:301 |
4 |
1 |
185 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
11032 |
52.1 |
1.8 |
0.944 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
H |
2 |
1 |
12026 |
◊ |
H |
-y+1,-x+1,-z-1/6 |
10_664 |
2 |
1 |
12026 |
31.1 |
0.8 |
0.917 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
L |
4 |
1 |
10944 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
11617 |
29.7 |
-0.2 |
0.379 |
0 |
0 |
0 |
0.005 |
25 |
|
M |
3 |
1 |
11032 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
12026 |
27.6 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.005 |
Average: |
28.7 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.005 |
20 |
26 |
|
[EDO]M:302 |
2 |
1 |
183 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
10944 |
28.6 |
1.2 |
0.949 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
B |
2 |
2 |
6660 |
◊ |
B |
x-y,-y,-z |
8_555 |
2 |
2 |
6660 |
23.3 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
H |
2 |
1 |
12026 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
8 |
3 |
6660 |
18.0 |
0.4 |
0.758 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
2 |
2 |
6788 |
◊ |
I |
x-y,x,z+1/6 |
6_555 |
2 |
2 |
11617 |
8.1 |
0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
Average: |
13.1 |
0.3 |
0.680 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
L |
1 |
1 |
10944 |
◊ |
L |
-y+1,-x+1,-z-1/6 |
10_664 |
1 |
1 |
10944 |
15.1 |
0.3 |
0.850 |
0 |
0 |
0 |
0.000 |
|