| ## |
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 |
|
S |
116 |
31 |
9928 |
◊ |
A |
x,y,z |
1_555 |
118 |
32 |
9807 |
1137.3 |
-7.7 |
0.220 |
24 |
0 |
0 |
0.318 |
2 |
|
L |
113 |
31 |
9905 |
◊ |
F |
x,y,z |
1_555 |
116 |
32 |
9910 |
1101.3 |
-9.6 |
0.148 |
23 |
0 |
0 |
0.318 |
| Average: |
1119.3 |
-8.6 |
0.184 |
24 |
0 |
0 |
0.318 |
| 2 |
3 |
|
F |
113 |
36 |
9910 |
◊ |
F |
x,-y,-z+1 |
4_556 |
113 |
36 |
9910 |
1092.6 |
-12.5 |
0.063 |
8 |
4 |
0 |
0.282 |
4 |
|
S |
105 |
36 |
9928 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
109 |
34 |
9807 |
1088.4 |
-12.1 |
0.054 |
7 |
4 |
0 |
0.282 |
5 |
|
L |
110 |
37 |
9905 |
◊ |
L |
x,-y,-z+1 |
4_556 |
110 |
37 |
9905 |
1084.0 |
-11.9 |
0.067 |
6 |
4 |
0 |
0.282 |
| Average: |
1088.3 |
-12.2 |
0.062 |
7 |
4 |
0 |
0.282 |
| 3 |
6 |
|
A |
46 |
16 |
9807 |
◊ |
S |
x-1/2,y-1/2,z |
5_445 |
45 |
12 |
9928 |
401.7 |
-0.1 |
0.612 |
4 |
0 |
0 |
0.000 |
7 |
|
F |
46 |
12 |
9910 |
◊ |
L |
x-1/2,y+1/2,z |
5_455 |
43 |
13 |
9905 |
389.8 |
0.6 |
0.634 |
5 |
0 |
0 |
0.000 |
| Average: |
395.8 |
0.3 |
0.623 |
5 |
0 |
0 |
0.000 |
| 4 |
8 |
|
F |
41 |
17 |
9910 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
9807 |
340.0 |
-3.3 |
0.258 |
6 |
0 |
0 |
0.046 |
| 5 |
9 |
|
[MMA]L:2238 |
13 |
1 |
338 |
f |
L |
x,y,z |
1_555 |
24 |
10 |
9905 |
190.2 |
2.8 |
0.278 |
9 |
0 |
0 |
0.043 |
10 |
|
[MMA]A:238 |
13 |
1 |
327 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
9807 |
183.0 |
2.9 |
0.296 |
8 |
0 |
0 |
0.043 |
| Average: |
186.6 |
2.8 |
0.287 |
9 |
0 |
0 |
0.043 |
| 6 |
11 |
|
[MMA]F:1238 |
12 |
1 |
336 |
f |
F |
x,y,z |
1_555 |
26 |
10 |
9910 |
176.7 |
2.3 |
0.307 |
8 |
0 |
0 |
0.041 |
12 |
|
[MMA]S:3238 |
12 |
1 |
336 |
f |
S |
x,y,z |
1_555 |
26 |
10 |
9928 |
175.0 |
2.4 |
0.295 |
9 |
0 |
0 |
0.041 |
| Average: |
175.8 |
2.4 |
0.301 |
9 |
0 |
0 |
0.041 |
| 7 |
13 |
|
A |
10 |
4 |
9807 |
◊ |
[MMA]S:3238 |
x-1/2,y-1/2,z |
5_445 |
7 |
1 |
336 |
68.7 |
2.4 |
0.443 |
0 |
0 |
0 |
0.000 |
14 |
|
[MMA]F:1238 |
6 |
1 |
336 |
◊ |
L |
x-1/2,y+1/2,z |
5_455 |
10 |
4 |
9905 |
63.6 |
2.0 |
0.454 |
0 |
0 |
0 |
0.000 |
| Average: |
66.1 |
2.2 |
0.448 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
[MN]F:239 |
1 |
1 |
123 |
f |
F |
x,y,z |
1_555 |
14 |
9 |
9910 |
62.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.231 |
16 |
|
[MN]L:239 |
1 |
1 |
123 |
f |
L |
x,y,z |
1_555 |
12 |
9 |
9905 |
61.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.231 |
17 |
|
[MN]S:239 |
1 |
1 |
123 |
f |
S |
x,y,z |
1_555 |
12 |
7 |
9928 |
61.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.231 |
18 |
|
[MN]A:239 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
9807 |
60.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.231 |
| Average: |
61.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.231 |
| 9 |
19 |
|
A |
5 |
2 |
9807 |
◊ |
L |
x-1/2,y+1/2,z |
5_455 |
7 |
3 |
9905 |
42.0 |
0.3 |
0.657 |
1 |
0 |
0 |
0.000 |
| 10 |
20 |
|
[CA]S:240 |
1 |
1 |
85 |
f |
S |
x,y,z |
1_555 |
11 |
5 |
9928 |
41.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.368 |
21 |
|
[CA]L:240 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
13 |
7 |
9905 |
40.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.368 |
22 |
|
[CA]A:240 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9807 |
40.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.368 |
23 |
|
[CA]F:240 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
9910 |
40.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.368 |
| Average: |
40.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.368 |
| 11 |
24 |
|
[MMA]A:238 |
4 |
1 |
327 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
9910 |
40.5 |
0.2 |
0.239 |
0 |
0 |
0 |
0.000 |
| 12 |
25 |
|
A |
6 |
2 |
9807 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
6 |
2 |
9807 |
28.3 |
-1.7 |
0.111 |
0 |
0 |
0 |
0.014 |
26 |
|
L |
7 |
2 |
9905 |
◊ |
F |
x,-y,-z+1 |
4_556 |
6 |
2 |
9910 |
24.8 |
-1.1 |
0.249 |
0 |
0 |
0 |
0.014 |
27 |
|
S |
5 |
1 |
9928 |
◊ |
S |
-x+1,y,-z+1/2 |
3_655 |
5 |
1 |
9928 |
18.6 |
-0.5 |
0.386 |
0 |
0 |
0 |
0.014 |
| Average: |
23.9 |
-1.1 |
0.249 |
0 |
0 |
0 |
0.014 |
| 13 |
28 |
|
[CA]S:240 |
1 |
1 |
85 |
f |
[MN]S:239 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.043 |
| 14 |
29 |
|
[CA]L:240 |
1 |
1 |
85 |
f |
[MN]L:239 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.086 |
| 15 |
30 |
|
[CA]F:240 |
1 |
1 |
85 |
f |
[MN]F:239 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.082 |
| 16 |
31 |
|
[CA]A:240 |
1 |
1 |
85 |
f |
[MN]A:239 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.041 |
| 17 |
32 |
|
[CA]A:240 |
1 |
1 |
85 |
f |
[MMA]A:238 |
x,y,z |
1_555 |
1 |
1 |
327 |
2.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
|
[CA]L:240 |
1 |
1 |
85 |
f |
[MMA]L:2238 |
x,y,z |
1_555 |
1 |
1 |
338 |
1.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.011 |
34 |
|
[CA]S:240 |
1 |
1 |
85 |
f |
[MMA]S:3238 |
x,y,z |
1_555 |
1 |
1 |
336 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
35 |
|
[CA]F:240 |
1 |
1 |
85 |
f |
[MMA]F:1238 |
x,y,z |
1_555 |
1 |
1 |
336 |
1.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
1.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 18 |
36 |
|
A |
1 |
1 |
9807 |
◊ |
[MMA]L:2238 |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
338 |
1.1 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
|