| ## |
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 |
|
B |
186 |
47 |
13679 |
◊ |
A |
x,y,z |
1_555 |
199 |
53 |
13854 |
1921.7 |
-32.3 |
0.063 |
13 |
0 |
0 |
0.756 |
2 |
|
D |
184 |
48 |
13538 |
◊ |
C |
x,y,z |
1_555 |
186 |
47 |
13228 |
1759.9 |
-32.5 |
0.039 |
13 |
0 |
0 |
0.756 |
| Average: |
1840.8 |
-32.4 |
0.051 |
13 |
0 |
0 |
0.756 |
| 2 |
3 |
|
C |
165 |
40 |
13228 |
◊ |
A |
x,y,z |
1_555 |
168 |
41 |
13854 |
1539.4 |
-26.8 |
0.085 |
10 |
2 |
0 |
0.686 |
4 |
|
D |
170 |
41 |
13538 |
◊ |
B |
x,y,z |
1_555 |
164 |
41 |
13679 |
1519.4 |
-27.3 |
0.098 |
11 |
1 |
0 |
0.686 |
| Average: |
1529.4 |
-27.1 |
0.092 |
11 |
2 |
0 |
0.686 |
| 3 |
5 |
|
A |
100 |
32 |
13854 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
101 |
33 |
13679 |
872.4 |
-7.5 |
0.647 |
4 |
3 |
0 |
0.000 |
| 4 |
6 |
|
C |
60 |
14 |
13228 |
◊ |
B |
x,y,z |
1_555 |
62 |
14 |
13679 |
622.5 |
-1.3 |
0.803 |
13 |
0 |
0 |
0.083 |
7 |
|
D |
60 |
14 |
13538 |
◊ |
A |
x,y,z |
1_555 |
61 |
14 |
13854 |
617.2 |
-1.8 |
0.765 |
13 |
0 |
0 |
0.083 |
| Average: |
619.8 |
-1.5 |
0.784 |
13 |
0 |
0 |
0.083 |
| 5 |
8 |
|
[NAP]D:1289 |
45 |
1 |
887 |
f |
D |
x,y,z |
1_555 |
85 |
32 |
13538 |
584.2 |
-0.2 |
0.760 |
17 |
0 |
0 |
0.342 |
9 |
|
[NAP]C:1289 |
46 |
1 |
884 |
f |
C |
x,y,z |
1_555 |
83 |
32 |
13228 |
582.4 |
-0.3 |
0.754 |
17 |
0 |
0 |
0.342 |
10 |
|
[NAP]A:1289 |
45 |
1 |
884 |
f |
A |
x,y,z |
1_555 |
85 |
32 |
13854 |
573.5 |
-0.4 |
0.757 |
17 |
0 |
0 |
0.342 |
11 |
|
[NAP]B:1289 |
45 |
1 |
885 |
f |
B |
x,y,z |
1_555 |
85 |
31 |
13679 |
572.0 |
-0.1 |
0.779 |
17 |
0 |
0 |
0.342 |
| Average: |
578.0 |
-0.2 |
0.763 |
17 |
0 |
0 |
0.342 |
| 6 |
12 |
|
A |
31 |
8 |
13854 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
36 |
12 |
13538 |
287.3 |
-2.5 |
0.573 |
2 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[H4B]B:1290 |
17 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
32 |
12 |
13679 |
233.3 |
0.3 |
0.340 |
4 |
0 |
0 |
0.056 |
14 |
|
[H4B]C:1290 |
17 |
1 |
398 |
f |
C |
x,y,z |
1_555 |
30 |
12 |
13228 |
232.1 |
0.9 |
0.395 |
4 |
0 |
0 |
0.056 |
15 |
|
[H4B]D:1290 |
17 |
1 |
396 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
13538 |
230.5 |
1.2 |
0.394 |
4 |
0 |
0 |
0.056 |
16 |
|
[H4B]A:1290 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
13854 |
230.0 |
0.4 |
0.314 |
4 |
0 |
0 |
0.056 |
| Average: |
231.5 |
0.7 |
0.361 |
4 |
0 |
0 |
0.056 |
| 8 |
17 |
|
A |
28 |
10 |
13854 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
9 |
13228 |
212.3 |
-4.6 |
0.298 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[H4B]B:1290 |
14 |
1 |
401 |
f |
[NAP]B:1289 |
x,y,z |
1_555 |
18 |
1 |
885 |
123.9 |
-0.5 |
0.255 |
2 |
0 |
0 |
0.065 |
19 |
|
[H4B]D:1290 |
14 |
1 |
396 |
f |
[NAP]D:1289 |
x,y,z |
1_555 |
17 |
1 |
887 |
122.6 |
-0.7 |
0.239 |
2 |
0 |
0 |
0.065 |
20 |
|
[H4B]A:1290 |
14 |
1 |
397 |
f |
[NAP]A:1289 |
x,y,z |
1_555 |
17 |
1 |
884 |
121.8 |
-0.6 |
0.242 |
2 |
0 |
0 |
0.065 |
21 |
|
[H4B]C:1290 |
14 |
1 |
398 |
f |
[NAP]C:1289 |
x,y,z |
1_555 |
16 |
1 |
884 |
121.4 |
-0.6 |
0.256 |
2 |
0 |
0 |
0.065 |
| Average: |
122.4 |
-0.6 |
0.248 |
2 |
0 |
0 |
0.065 |
| 10 |
22 |
|
[EDO]B:1293 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
13679 |
102.7 |
4.0 |
0.759 |
4 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[EDO]D:1292 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
13538 |
81.5 |
2.2 |
0.469 |
1 |
0 |
0 |
0.000 |
| 12 |
24 |
|
[EDO]B:1292 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13679 |
79.2 |
2.2 |
0.491 |
1 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[EDO]B:1292 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13854 |
76.2 |
1.8 |
0.281 |
2 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[EDO]D:1291 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
13538 |
76.0 |
2.7 |
0.320 |
2 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[EDO]B:1291 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
13679 |
75.4 |
2.7 |
0.323 |
2 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[EDO]B:1291 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13854 |
74.6 |
2.6 |
0.319 |
2 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[EDO]D:1291 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
13228 |
74.0 |
2.7 |
0.323 |
2 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[EDO]D:1292 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
13228 |
73.1 |
1.6 |
0.273 |
1 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[EDO]C:1291 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
13228 |
67.4 |
1.9 |
0.888 |
2 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[EDO]C:1291 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13854 |
52.3 |
2.1 |
0.336 |
1 |
0 |
0 |
0.000 |
| 21 |
33 |
|
C |
5 |
2 |
13228 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
3 |
13679 |
49.8 |
-0.8 |
0.382 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[EDO]C:1291 |
3 |
1 |
183 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
3 |
13538 |
33.7 |
1.1 |
0.788 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[H4B]B:1290 |
3 |
1 |
401 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13228 |
13.9 |
0.3 |
0.492 |
0 |
0 |
0 |
0.000 |
36 |
|
[H4B]A:1290 |
1 |
1 |
397 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13538 |
12.7 |
0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
37 |
|
[H4B]C:1290 |
1 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13679 |
12.3 |
0.3 |
0.452 |
0 |
0 |
0 |
0.000 |
38 |
|
[H4B]D:1290 |
3 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13854 |
12.0 |
0.3 |
0.483 |
0 |
0 |
0 |
0.000 |
| Average: |
12.7 |
0.3 |
0.483 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[NAP]A:1289 |
4 |
1 |
884 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
13679 |
13.0 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
1 |
1 |
13854 |
◊ |
[NAP]B:1289 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
885 |
9.5 |
0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
| Average: |
11.3 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 25 |
41 |
|
[EDO]B:1293 |
1 |
1 |
183 |
f |
[NAP]B:1289 |
x,y,z |
1_555 |
1 |
1 |
885 |
3.9 |
0.1 |
0.758 |
0 |
0 |
0 |
0.000 |
| 26 |
42 |
|
B |
1 |
1 |
13679 |
◊ |
D |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
13538 |
0.3 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
|