## |
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 |
153 |
38 |
8683 |
◊ |
A |
x,y,z |
1_555 |
152 |
38 |
8890 |
1284.1 |
-17.5 |
0.174 |
21 |
2 |
0 |
0.122 |
2 |
2 |
|
A |
49 |
13 |
8890 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
58 |
19 |
8890 |
475.9 |
-5.7 |
0.343 |
5 |
1 |
0 |
0.000 |
3 |
|
B |
53 |
17 |
8683 |
x |
B |
-y,x-y,z+1/3 |
2_555 |
45 |
11 |
8683 |
435.4 |
-5.1 |
0.366 |
5 |
1 |
0 |
0.000 |
Average: |
455.7 |
-5.4 |
0.354 |
5 |
1 |
0 |
0.000 |
3 |
4 |
|
B |
21 |
9 |
8683 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
29 |
8 |
8890 |
263.9 |
-3.0 |
0.267 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
28 |
9 |
8683 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
24 |
9 |
8890 |
253.2 |
-2.1 |
0.451 |
2 |
0 |
0 |
0.000 |
Average: |
258.5 |
-2.5 |
0.359 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
[0MB]A:218 |
15 |
1 |
448 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
8683 |
175.1 |
-1.3 |
0.729 |
0 |
0 |
0 |
0.006 |
5 |
7 |
|
[0MB]B:218 |
17 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
8890 |
174.9 |
-3.4 |
0.541 |
0 |
0 |
0 |
0.015 |
6 |
8 |
|
A |
18 |
5 |
8890 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
20 |
4 |
8683 |
168.7 |
-0.8 |
0.578 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
19 |
4 |
8890 |
◊ |
B |
-y,x-y,z-2/3 |
2_554 |
19 |
5 |
8683 |
167.6 |
-0.8 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
168.1 |
-0.8 |
0.582 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[TAM]B:1220 |
8 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
8683 |
162.2 |
0.6 |
0.481 |
4 |
0 |
0 |
0.015 |
11 |
|
[TAM]A:1227 |
9 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
8890 |
153.9 |
0.1 |
0.412 |
5 |
0 |
0 |
0.015 |
Average: |
158.1 |
0.4 |
0.447 |
5 |
0 |
0 |
0.015 |
8 |
12 |
|
[0MB]A:218 |
17 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
8890 |
159.7 |
-3.8 |
0.510 |
0 |
0 |
0 |
0.017 |
9 |
13 |
|
[0MB]B:218 |
15 |
1 |
448 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
8683 |
149.2 |
-2.9 |
0.542 |
0 |
0 |
0 |
0.013 |
10 |
14 |
|
[GOL]B:1219 |
6 |
1 |
222 |
cf |
B |
x,y,z |
1_555 |
19 |
9 |
8683 |
131.6 |
-0.3 |
0.602 |
0 |
0 |
0 |
0.003 |
15 |
|
[GOL]A:1226 |
6 |
1 |
222 |
cf |
A |
x,y,z |
1_555 |
20 |
10 |
8890 |
130.6 |
-0.1 |
0.627 |
1 |
0 |
0 |
0.003 |
Average: |
131.1 |
-0.2 |
0.614 |
1 |
0 |
0 |
0.003 |
11 |
16 |
|
[EDO]A:1221 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
8890 |
113.9 |
2.5 |
0.364 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[SO4]A:1215 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
8890 |
101.5 |
-17.1 |
0.730 |
1 |
0 |
0 |
0.079 |
13 |
18 |
|
[EDO]A:1217 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8890 |
101.5 |
2.7 |
0.452 |
3 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]B:1214 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8683 |
100.0 |
-17.0 |
0.737 |
1 |
0 |
0 |
0.079 |
15 |
20 |
|
[EDO]A:1222 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
8890 |
97.4 |
2.6 |
0.492 |
3 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]B:1215 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
8683 |
95.3 |
2.1 |
0.453 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[SO4]B:1213 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8683 |
95.3 |
-12.2 |
0.883 |
3 |
0 |
0 |
0.061 |
18 |
23 |
|
[SO4]A:1214 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8890 |
89.4 |
-13.6 |
0.799 |
5 |
0 |
0 |
0.071 |
19 |
24 |
|
[SO4]B:1212 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8683 |
88.7 |
-13.4 |
0.798 |
5 |
0 |
0 |
0.070 |
20 |
25 |
|
[EDO]A:1218 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
8890 |
88.2 |
1.7 |
0.395 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]B:1217 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
8683 |
87.6 |
1.5 |
0.230 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]A:1219 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8683 |
87.5 |
2.6 |
0.323 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[SO4]A:1216 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8890 |
87.0 |
-10.9 |
0.888 |
3 |
0 |
0 |
0.055 |
24 |
29 |
|
[SO4]B:1211 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8683 |
81.7 |
-13.0 |
0.587 |
3 |
0 |
0 |
0.064 |
25 |
30 |
|
[SO4]B:1210 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8683 |
78.7 |
-10.9 |
0.826 |
5 |
0 |
0 |
0.059 |
26 |
31 |
|
[SO4]A:1212 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8890 |
77.7 |
-10.9 |
0.884 |
4 |
0 |
0 |
0.057 |
27 |
32 |
|
[SO4]A:1213 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8890 |
75.6 |
-11.8 |
0.585 |
3 |
0 |
0 |
0.059 |
28 |
33 |
|
B |
12 |
3 |
8683 |
◊ |
[EDO]A:1220 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
186 |
59.7 |
1.2 |
0.803 |
2 |
0 |
0 |
0.000 |
29 |
34 |
|
[CL]A:1225 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
8890 |
57.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.066 |
35 |
|
[CL]B:1218 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
8683 |
55.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
56.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.066 |
30 |
36 |
|
[EDO]A:1220 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8890 |
54.6 |
1.2 |
0.734 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[EDO]A:1219 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8890 |
53.2 |
1.7 |
0.316 |
1 |
0 |
0 |
0.000 |
32 |
38 |
|
[TAM]B:1220 |
6 |
1 |
328 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
8 |
3 |
8890 |
51.7 |
1.2 |
0.528 |
1 |
0 |
0 |
0.000 |
39 |
|
B |
7 |
3 |
8683 |
◊ |
[TAM]A:1227 |
-y,x-y-1,z+1/3 |
2_545 |
6 |
1 |
328 |
50.9 |
1.0 |
0.493 |
2 |
0 |
0 |
0.000 |
Average: |
51.3 |
1.1 |
0.511 |
2 |
0 |
0 |
0.000 |
33 |
40 |
|
B |
8 |
2 |
8683 |
◊ |
[EDO]B:1216 |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
184 |
50.4 |
0.5 |
0.664 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[EDO]B:1216 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
8683 |
46.3 |
0.8 |
0.551 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[EDO]A:1218 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
8683 |
46.1 |
0.6 |
0.567 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[EDO]B:1217 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
8890 |
45.4 |
1.0 |
0.606 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[SO4]B:1210 |
4 |
1 |
184 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
3 |
2 |
8683 |
39.1 |
-5.0 |
0.550 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[TAM]A:1227 |
4 |
1 |
328 |
f |
[CL]A:1223 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.019 |
39 |
46 |
|
[EDO]A:1217 |
3 |
1 |
184 |
f |
[0MB]A:218 |
x,y,z |
1_555 |
7 |
1 |
448 |
37.2 |
0.7 |
0.835 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
B |
3 |
2 |
8683 |
f |
[CL]A:1224 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
125 |
36.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.020 |
41 |
48 |
|
A |
4 |
2 |
8890 |
◊ |
[SO4]A:1212 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
185 |
36.0 |
-4.7 |
0.503 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[EDO]B:1215 |
2 |
1 |
184 |
f |
[0MB]B:218 |
x,y,z |
1_555 |
6 |
1 |
448 |
35.5 |
1.1 |
0.631 |
1 |
0 |
0 |
0.000 |
43 |
50 |
|
[0MB]A:218 |
3 |
1 |
448 |
◊ |
[SO4]A:1213 |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
186 |
33.2 |
-3.4 |
0.936 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[TAM]A:1227 |
4 |
1 |
328 |
◊ |
[CL]A:1224 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[SO4]B:1211 |
3 |
1 |
186 |
◊ |
[0MB]B:218 |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
448 |
32.9 |
-4.7 |
0.820 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[CL]A:1223 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8890 |
32.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.018 |
47 |
54 |
|
[SO4]A:1215 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8683 |
29.9 |
-3.2 |
0.957 |
1 |
0 |
0 |
0.016 |
48 |
55 |
|
[SO4]B:1211 |
4 |
1 |
186 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
8890 |
29.4 |
-2.5 |
0.958 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[EDO]B:1216 |
2 |
1 |
184 |
◊ |
[0MB]B:218 |
x,y,z |
1_555 |
5 |
1 |
448 |
29.3 |
1.1 |
0.639 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
[SO4]B:1214 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8890 |
29.3 |
-2.9 |
0.955 |
1 |
0 |
0 |
0.015 |
51 |
58 |
|
B |
2 |
1 |
8683 |
◊ |
[SO4]A:1213 |
-y,x-y-1,z+1/3 |
2_545 |
4 |
1 |
186 |
28.6 |
-2.1 |
0.980 |
0 |
0 |
0 |
0.000 |
52 |
59 |
|
[CL]A:1225 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8683 |
27.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.025 |
60 |
|
[CL]B:1218 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8890 |
27.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
27.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.025 |
53 |
61 |
|
[EDO]A:1220 |
2 |
1 |
186 |
f |
[SO4]A:1213 |
x,y,z |
1_555 |
3 |
1 |
186 |
27.4 |
-2.6 |
0.996 |
2 |
0 |
0 |
0.015 |
54 |
62 |
|
[EDO]B:1216 |
2 |
1 |
184 |
◊ |
[EDO]B:1215 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.2 |
1.5 |
0.707 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[CL]A:1223 |
1 |
1 |
125 |
f |
[EDO]A:1220 |
x,y,z |
1_555 |
3 |
1 |
186 |
25.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.009 |
56 |
64 |
|
[CL]A:1224 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8890 |
22.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
B |
6 |
2 |
8683 |
◊ |
[CL]A:1223 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
125 |
20.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
[GOL]A:1226 |
3 |
1 |
222 |
f |
[SO4]A:1216 |
x,y,z |
1_555 |
1 |
1 |
185 |
15.9 |
-2.1 |
0.624 |
0 |
0 |
0 |
0.009 |
59 |
67 |
|
[0MB]A:218 |
3 |
1 |
448 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
3 |
2 |
8890 |
15.4 |
-0.8 |
0.345 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
B |
1 |
1 |
8683 |
◊ |
[EDO]B:1217 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
184 |
14.8 |
-0.1 |
0.428 |
0 |
0 |
0 |
0.000 |
61 |
69 |
|
[EDO]A:1218 |
2 |
1 |
184 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
8890 |
14.7 |
0.0 |
0.437 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
A |
2 |
1 |
8890 |
f |
[EDO]A:1222 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
185 |
13.7 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
B |
3 |
2 |
8683 |
◊ |
[0MB]B:218 |
-y,x-y,z+1/3 |
2_555 |
3 |
1 |
448 |
13.3 |
-0.5 |
0.337 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
[GOL]B:1219 |
3 |
1 |
222 |
f |
[SO4]B:1213 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.1 |
-1.6 |
0.624 |
0 |
0 |
0 |
0.007 |
65 |
73 |
|
[EDO]A:1218 |
2 |
1 |
184 |
f |
[SO4]B:1212 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.9 |
-1.3 |
0.894 |
0 |
0 |
0 |
0.006 |
66 |
74 |
|
[SO4]B:1212 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8890 |
11.5 |
-1.2 |
0.807 |
0 |
0 |
0 |
0.005 |
67 |
75 |
|
[SO4]B:1210 |
4 |
1 |
184 |
◊ |
[EDO]B:1216 |
-y,x-y,z+1/3 |
2_555 |
3 |
1 |
184 |
10.4 |
-0.9 |
0.999 |
0 |
0 |
0 |
0.000 |
68 |
76 |
|
[EDO]B:1217 |
2 |
1 |
184 |
f |
[SO4]A:1214 |
x,y,z |
1_555 |
2 |
1 |
185 |
10.4 |
-1.1 |
0.980 |
0 |
0 |
0 |
0.005 |
69 |
77 |
|
[SO4]B:1211 |
1 |
1 |
186 |
◊ |
[EDO]B:1216 |
-y,x-y,z+1/3 |
2_555 |
2 |
1 |
184 |
9.7 |
-1.0 |
0.894 |
0 |
0 |
0 |
0.000 |
70 |
78 |
|
[TAM]A:1227 |
2 |
1 |
328 |
f |
[EDO]A:1220 |
x,y,z |
1_555 |
2 |
1 |
186 |
7.8 |
0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
71 |
79 |
|
[SO4]A:1214 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8683 |
6.4 |
-0.9 |
0.624 |
0 |
0 |
0 |
0.004 |
72 |
80 |
|
[0MB]A:218 |
1 |
1 |
448 |
◊ |
[EDO]A:1220 |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
186 |
3.5 |
0.2 |
0.850 |
0 |
0 |
0 |
0.000 |
73 |
81 |
|
[EDO]A:1219 |
1 |
1 |
183 |
f |
[SO4]B:1214 |
x,y,z |
1_555 |
1 |
1 |
187 |
1.8 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
74 |
82 |
|
[SO4]B:1214 |
1 |
1 |
187 |
◊ |
[SO4]A:1215 |
x,y,z |
1_555 |
1 |
1 |
188 |
0.8 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|