| ## |
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 |
199 |
51 |
13580 |
◊ |
A |
x,y,z |
1_555 |
208 |
53 |
13748 |
1976.6 |
-31.1 |
0.101 |
18 |
0 |
0 |
0.781 |
2 |
|
D |
190 |
49 |
13235 |
◊ |
C |
x,y,z |
1_555 |
182 |
46 |
13370 |
1825.4 |
-32.1 |
0.042 |
13 |
0 |
0 |
0.781 |
| Average: |
1901.0 |
-31.6 |
0.071 |
16 |
0 |
0 |
0.781 |
| 2 |
3 |
|
C |
166 |
43 |
13370 |
◊ |
A |
x,y,z |
1_555 |
169 |
43 |
13748 |
1545.9 |
-28.3 |
0.063 |
10 |
1 |
0 |
0.715 |
4 |
|
D |
164 |
41 |
13235 |
◊ |
B |
x,y,z |
1_555 |
165 |
41 |
13580 |
1523.2 |
-28.1 |
0.067 |
11 |
4 |
0 |
0.715 |
| Average: |
1534.5 |
-28.2 |
0.065 |
11 |
3 |
0 |
0.715 |
| 3 |
5 |
|
A |
87 |
30 |
13748 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
92 |
30 |
13580 |
796.2 |
-8.6 |
0.518 |
3 |
3 |
0 |
0.099 |
| 4 |
6 |
|
D |
66 |
16 |
13235 |
◊ |
A |
x,y,z |
1_555 |
62 |
14 |
13748 |
634.8 |
-1.3 |
0.800 |
12 |
0 |
0 |
0.076 |
7 |
|
C |
60 |
15 |
13370 |
◊ |
B |
x,y,z |
1_555 |
63 |
15 |
13580 |
622.5 |
-1.4 |
0.791 |
13 |
0 |
0 |
0.076 |
| Average: |
628.7 |
-1.3 |
0.796 |
13 |
0 |
0 |
0.076 |
| 5 |
8 |
|
[NAP]D:1289 |
45 |
1 |
892 |
f |
D |
x,y,z |
1_555 |
86 |
33 |
13235 |
582.4 |
-0.1 |
0.759 |
16 |
0 |
0 |
0.326 |
9 |
|
[NAP]C:1289 |
46 |
1 |
889 |
f |
C |
x,y,z |
1_555 |
84 |
33 |
13370 |
579.4 |
-0.2 |
0.746 |
16 |
0 |
0 |
0.326 |
10 |
|
[NAP]B:1289 |
46 |
1 |
888 |
f |
B |
x,y,z |
1_555 |
85 |
34 |
13580 |
574.3 |
-0.2 |
0.763 |
16 |
0 |
0 |
0.326 |
11 |
|
[NAP]A:1289 |
46 |
1 |
894 |
f |
A |
x,y,z |
1_555 |
84 |
33 |
13748 |
573.6 |
-0.5 |
0.750 |
16 |
0 |
0 |
0.326 |
| Average: |
577.4 |
-0.3 |
0.755 |
16 |
0 |
0 |
0.326 |
| 6 |
12 |
|
A |
30 |
8 |
13748 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
33 |
12 |
13235 |
277.4 |
-3.0 |
0.513 |
1 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[HBI]B:1290 |
16 |
1 |
407 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
13580 |
240.1 |
0.9 |
0.426 |
4 |
0 |
0 |
0.033 |
14 |
|
[HBI]A:1290 |
17 |
1 |
409 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
13748 |
239.7 |
1.1 |
0.402 |
4 |
0 |
0 |
0.033 |
15 |
|
[HBI]C:1290 |
17 |
1 |
407 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
13370 |
231.9 |
1.1 |
0.393 |
4 |
0 |
0 |
0.033 |
16 |
|
[HBI]D:1290 |
17 |
1 |
408 |
f |
D |
x,y,z |
1_555 |
29 |
11 |
13235 |
230.6 |
2.4 |
0.505 |
4 |
0 |
0 |
0.033 |
| Average: |
235.6 |
1.3 |
0.431 |
4 |
0 |
0 |
0.033 |
| 8 |
17 |
|
A |
26 |
10 |
13748 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
8 |
13370 |
197.4 |
-4.2 |
0.300 |
0 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[HBI]D:1290 |
14 |
1 |
408 |
f |
[NAP]D:1289 |
x,y,z |
1_555 |
17 |
1 |
892 |
127.6 |
-0.6 |
0.248 |
2 |
0 |
0 |
0.067 |
19 |
|
[HBI]C:1290 |
14 |
1 |
407 |
f |
[NAP]C:1289 |
x,y,z |
1_555 |
17 |
1 |
889 |
126.9 |
-0.6 |
0.251 |
2 |
0 |
0 |
0.067 |
20 |
|
[HBI]A:1290 |
14 |
1 |
409 |
f |
[NAP]A:1289 |
x,y,z |
1_555 |
17 |
1 |
894 |
125.3 |
-0.7 |
0.244 |
2 |
0 |
0 |
0.067 |
21 |
|
[HBI]B:1290 |
14 |
1 |
407 |
f |
[NAP]B:1289 |
x,y,z |
1_555 |
17 |
1 |
888 |
123.9 |
-0.6 |
0.255 |
2 |
0 |
0 |
0.067 |
| Average: |
125.9 |
-0.6 |
0.250 |
2 |
0 |
0 |
0.067 |
| 10 |
22 |
|
[EDO]B:1293 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13580 |
81.6 |
2.3 |
0.278 |
0 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[EDO]B:1292 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
13580 |
81.2 |
2.9 |
0.331 |
1 |
0 |
0 |
0.000 |
| 12 |
24 |
|
[EDO]B:1293 |
4 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13748 |
78.4 |
1.9 |
0.278 |
2 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[EDO]D:1291 |
4 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
13235 |
77.4 |
2.8 |
0.320 |
2 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:1291 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13580 |
76.7 |
2.8 |
0.323 |
2 |
0 |
0 |
0.000 |
| Average: |
77.0 |
2.8 |
0.322 |
2 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[EDO]B:1291 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13748 |
77.2 |
2.8 |
0.321 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]D:1291 |
4 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13370 |
77.1 |
2.7 |
0.319 |
2 |
0 |
0 |
0.000 |
| Average: |
77.2 |
2.7 |
0.320 |
2 |
0 |
0 |
0.000 |
| 15 |
29 |
|
A |
9 |
5 |
13748 |
f |
[EDO]B:1292 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
190 |
73.3 |
2.7 |
0.328 |
2 |
0 |
0 |
0.000 |
| 16 |
30 |
|
C |
6 |
2 |
13370 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
9 |
3 |
13580 |
52.5 |
-0.9 |
0.397 |
0 |
0 |
0 |
0.000 |
| 17 |
31 |
|
[HBI]C:1290 |
2 |
1 |
407 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13580 |
15.9 |
0.4 |
0.458 |
0 |
0 |
0 |
0.000 |
32 |
|
[HBI]B:1290 |
3 |
1 |
407 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13370 |
15.8 |
0.4 |
0.499 |
0 |
0 |
0 |
0.000 |
33 |
|
[HBI]D:1290 |
3 |
1 |
408 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13748 |
15.5 |
0.4 |
0.494 |
0 |
0 |
0 |
0.000 |
34 |
|
[HBI]A:1290 |
3 |
1 |
409 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13235 |
14.5 |
0.3 |
0.495 |
0 |
0 |
0 |
0.000 |
| Average: |
15.4 |
0.4 |
0.487 |
0 |
0 |
0 |
0.000 |
| 18 |
35 |
|
[NAP]A:1289 |
3 |
1 |
894 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
2 |
13580 |
14.7 |
0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
1 |
1 |
13748 |
◊ |
[NAP]B:1289 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
888 |
7.6 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
| Average: |
11.2 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
D |
1 |
1 |
13235 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
13370 |
4.4 |
0.4 |
0.887 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
B |
2 |
1 |
13580 |
◊ |
D |
-x,y-1/2,-z+3/2 |
3_546 |
1 |
1 |
13235 |
3.8 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
| 21 |
39 |
|
C |
1 |
1 |
13370 |
x |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
13370 |
2.3 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
|