## |
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 |
|
D |
192 |
51 |
12434 |
◊ |
B |
x,y,z |
1_555 |
193 |
52 |
12337 |
1767.1 |
-38.0 |
0.014 |
10 |
0 |
0 |
0.227 |
2 |
|
C |
189 |
51 |
12454 |
◊ |
A |
x,y,z |
1_555 |
195 |
51 |
12410 |
1760.5 |
-37.8 |
0.011 |
10 |
0 |
0 |
0.227 |
Average: |
1763.8 |
-37.9 |
0.012 |
10 |
0 |
0 |
0.227 |
2 |
3 |
|
D |
157 |
46 |
12434 |
◊ |
C |
x,y,z |
1_555 |
157 |
46 |
12454 |
1510.1 |
-22.4 |
0.167 |
19 |
2 |
0 |
0.204 |
4 |
|
B |
158 |
46 |
12337 |
◊ |
A |
x,y,z |
1_555 |
155 |
46 |
12410 |
1475.2 |
-23.3 |
0.153 |
16 |
0 |
0 |
0.204 |
Average: |
1492.6 |
-22.8 |
0.160 |
18 |
1 |
0 |
0.204 |
3 |
5 |
|
C |
130 |
36 |
12454 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
131 |
36 |
12454 |
1310.4 |
-6.8 |
0.808 |
14 |
10 |
0 |
0.080 |
4 |
6 |
|
D |
125 |
40 |
12434 |
◊ |
D |
-y,-x,-z+1/2 |
8_555 |
124 |
40 |
12434 |
1259.7 |
-8.3 |
0.761 |
16 |
6 |
0 |
0.093 |
5 |
7 |
|
D |
79 |
23 |
12434 |
◊ |
A |
x,y,z |
1_555 |
77 |
23 |
12410 |
723.4 |
-4.1 |
0.743 |
12 |
0 |
0 |
0.048 |
8 |
|
C |
77 |
22 |
12454 |
◊ |
B |
x,y,z |
1_555 |
77 |
22 |
12337 |
715.2 |
-3.9 |
0.750 |
13 |
0 |
0 |
0.048 |
Average: |
719.3 |
-4.0 |
0.746 |
13 |
0 |
0 |
0.048 |
6 |
9 |
|
A |
74 |
21 |
12410 |
◊ |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
70 |
21 |
12337 |
704.6 |
-3.6 |
0.790 |
12 |
12 |
0 |
0.052 |
7 |
10 |
|
[PG5]D:273 |
11 |
1 |
392 |
◊ |
D |
x,y,z |
1_555 |
41 |
13 |
12434 |
230.3 |
6.8 |
0.365 |
0 |
0 |
0 |
0.000 |
11 |
|
[PG5]C:273 |
12 |
1 |
388 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
12454 |
229.0 |
6.6 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
229.7 |
6.7 |
0.306 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[PG5]B:273 |
12 |
1 |
387 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
12337 |
219.2 |
6.5 |
0.244 |
0 |
0 |
0 |
0.000 |
13 |
|
[PG5]A:273 |
12 |
1 |
392 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
12410 |
214.5 |
6.3 |
0.219 |
0 |
0 |
0 |
0.000 |
Average: |
216.9 |
6.4 |
0.231 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[K]C:272 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
12454 |
119.0 |
-88.1 |
0.000 |
0 |
0 |
0 |
0.976 |
15 |
|
[K]D:272 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
12434 |
116.1 |
-84.4 |
0.000 |
0 |
0 |
0 |
0.976 |
16 |
|
[K]A:272 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
12410 |
100.1 |
-72.6 |
0.000 |
0 |
0 |
0 |
0.976 |
17 |
|
[K]B:272 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
12337 |
98.8 |
-71.2 |
0.000 |
0 |
0 |
0 |
0.976 |
Average: |
108.5 |
-79.1 |
0.000 |
0 |
0 |
0 |
0.976 |
10 |
18 |
|
[EDO]B:277 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
12337 |
115.2 |
3.7 |
0.541 |
5 |
0 |
0 |
0.000 |
19 |
|
[EDO]D:276 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
16 |
9 |
12434 |
110.0 |
3.7 |
0.541 |
5 |
0 |
0 |
0.000 |
Average: |
112.6 |
3.7 |
0.541 |
5 |
0 |
0 |
0.000 |
11 |
20 |
|
[EDO]C:278 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
12454 |
114.7 |
3.7 |
0.538 |
5 |
0 |
0 |
0.000 |
12 |
21 |
|
[EDO]A:279 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
12410 |
114.5 |
3.6 |
0.534 |
5 |
0 |
0 |
0.000 |
13 |
22 |
|
[EDO]B:275 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
12337 |
96.9 |
2.5 |
0.450 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]D:275 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
12434 |
96.6 |
3.1 |
0.499 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]A:276 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
12410 |
96.5 |
2.6 |
0.434 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
[EDO]C:276 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
12454 |
96.4 |
3.0 |
0.493 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]A:278 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
12410 |
93.0 |
2.6 |
0.489 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
[EDO]B:274 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
12337 |
92.0 |
2.5 |
0.491 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]B:278 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12337 |
86.2 |
2.1 |
0.295 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]C:275 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12454 |
80.5 |
2.0 |
0.304 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]A:277 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12410 |
78.9 |
2.0 |
0.297 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]C:275 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
12337 |
78.8 |
2.2 |
0.293 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[EDO]A:277 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
12434 |
76.0 |
2.1 |
0.300 |
1 |
0 |
0 |
0.000 |
24 |
33 |
|
[EDO]C:274 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
12454 |
73.6 |
2.2 |
0.302 |
1 |
0 |
0 |
0.000 |
25 |
34 |
|
[EDO]C:274 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
12434 |
73.2 |
2.1 |
0.304 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:274 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
12337 |
72.3 |
2.1 |
0.304 |
1 |
0 |
0 |
0.000 |
Average: |
72.7 |
2.1 |
0.304 |
1 |
0 |
0 |
0.000 |
26 |
36 |
|
[EDO]A:274 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12410 |
72.8 |
2.1 |
0.302 |
1 |
0 |
0 |
0.000 |
27 |
37 |
|
[EDO]A:275 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
12410 |
64.1 |
1.9 |
0.874 |
1 |
0 |
0 |
0.000 |
28 |
38 |
|
[EDO]B:276 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
12337 |
63.3 |
1.8 |
0.872 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[EDO]D:274 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
12434 |
61.6 |
1.8 |
0.892 |
2 |
0 |
0 |
0.000 |
30 |
40 |
|
[EDO]C:277 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
12454 |
59.6 |
1.8 |
0.877 |
1 |
0 |
0 |
0.000 |
31 |
41 |
|
A |
9 |
3 |
12410 |
◊ |
[K]B:272 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
216 |
47.9 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.217 |
42 |
|
[K]A:272 |
1 |
1 |
216 |
◊ |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
8 |
3 |
12337 |
45.8 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.217 |
Average: |
46.9 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.217 |
32 |
43 |
|
[EDO]B:276 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12410 |
45.8 |
1.2 |
0.843 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[EDO]A:275 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12337 |
45.6 |
1.2 |
0.846 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[EDO]D:274 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
12454 |
45.2 |
1.4 |
0.855 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[EDO]C:277 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
12434 |
43.6 |
1.2 |
0.857 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
A |
3 |
2 |
12410 |
f |
[EDO]B:275 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
3 |
1 |
185 |
39.4 |
1.7 |
0.982 |
1 |
0 |
0 |
0.000 |
37 |
48 |
|
[EDO]A:276 |
3 |
1 |
183 |
f |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
4 |
2 |
12337 |
37.1 |
1.7 |
0.973 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[EDO]D:275 |
4 |
1 |
183 |
◊ |
[EDO]C:277 |
x,y,z |
1_555 |
4 |
1 |
184 |
31.4 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[EDO]D:274 |
3 |
1 |
185 |
f |
[EDO]C:276 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.9 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[EDO]B:274 |
3 |
1 |
184 |
◊ |
[EDO]A:275 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.9 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[EDO]B:276 |
4 |
1 |
185 |
◊ |
[EDO]A:278 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.4 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[EDO]B:274 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
12410 |
27.6 |
0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[EDO]A:278 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
12337 |
27.2 |
0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[K]A:272 |
1 |
1 |
216 |
◊ |
[K]B:272 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
216 |
26.1 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.126 |
45 |
56 |
|
[PG5]D:273 |
2 |
1 |
392 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12410 |
23.5 |
1.0 |
0.389 |
0 |
0 |
0 |
0.000 |
57 |
|
[PG5]C:273 |
2 |
1 |
388 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12337 |
22.8 |
1.0 |
0.305 |
0 |
0 |
0 |
0.000 |
58 |
|
[PG5]B:273 |
2 |
1 |
387 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12454 |
22.0 |
0.9 |
0.321 |
0 |
0 |
0 |
0.000 |
59 |
|
[PG5]A:273 |
3 |
1 |
392 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
12434 |
21.9 |
0.9 |
0.187 |
0 |
0 |
0 |
0.000 |
Average: |
22.5 |
1.0 |
0.301 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
[EDO]C:276 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
12434 |
18.1 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[EDO]D:275 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
12454 |
16.2 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
48 |
62 |
|
[EDO]A:279 |
2 |
1 |
183 |
f |
[PG5]A:273 |
x,y,z |
1_555 |
2 |
1 |
392 |
13.6 |
0.9 |
0.333 |
0 |
0 |
0 |
0.000 |
49 |
63 |
|
[EDO]B:277 |
2 |
1 |
183 |
f |
[PG5]B:273 |
x,y,z |
1_555 |
2 |
1 |
387 |
10.8 |
0.7 |
0.333 |
0 |
0 |
0 |
0.000 |
64 |
|
[EDO]D:276 |
2 |
1 |
183 |
f |
[PG5]D:273 |
x,y,z |
1_555 |
1 |
1 |
392 |
4.6 |
0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
0.5 |
0.455 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[EDO]C:278 |
2 |
1 |
185 |
f |
[PG5]C:273 |
x,y,z |
1_555 |
1 |
1 |
388 |
5.0 |
0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
|