## |
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 |
105 |
25 |
12450 |
◊ |
B |
-x-1,y-1/2,-z-2 |
2_443 |
104 |
25 |
12756 |
1020.6 |
-16.4 |
0.046 |
4 |
0 |
0 |
0.941 |
2 |
|
C |
94 |
25 |
12540 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
96 |
25 |
12477 |
937.6 |
-15.3 |
0.040 |
3 |
0 |
0 |
0.941 |
Average: |
979.1 |
-15.9 |
0.043 |
4 |
0 |
0 |
0.941 |
2 |
3 |
|
D |
60 |
21 |
12450 |
◊ |
A |
x,y,z |
1_555 |
63 |
21 |
12477 |
558.6 |
2.2 |
0.890 |
10 |
4 |
0 |
0.000 |
3 |
4 |
|
D |
48 |
15 |
12450 |
◊ |
B |
x,y,z |
1_555 |
53 |
18 |
12756 |
449.7 |
-6.2 |
0.233 |
0 |
0 |
0 |
0.000 |
5 |
|
C |
50 |
16 |
12540 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
12477 |
435.1 |
-6.0 |
0.221 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
49 |
14 |
12756 |
◊ |
D |
x-1,y,z |
1_455 |
50 |
16 |
12450 |
426.7 |
-4.7 |
0.343 |
0 |
0 |
0 |
0.000 |
7 |
|
C |
51 |
14 |
12540 |
◊ |
A |
x-1,y,z |
1_455 |
50 |
16 |
12477 |
424.3 |
-4.7 |
0.326 |
0 |
0 |
0 |
0.000 |
Average: |
434.0 |
-5.4 |
0.281 |
0 |
0 |
0 |
0.000 |
4 |
8 |
|
D |
29 |
8 |
12450 |
◊ |
A |
x,y,z-1 |
1_554 |
36 |
9 |
12477 |
312.0 |
-6.6 |
0.069 |
1 |
1 |
0 |
0.000 |
5 |
9 |
|
[GOL]C:1210 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
12540 |
141.5 |
-0.4 |
0.562 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[GOL]B:1203 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
12756 |
137.4 |
-1.3 |
0.403 |
0 |
0 |
0 |
0.138 |
11 |
|
[GOL]D:1212 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
22 |
13 |
12450 |
125.7 |
-1.3 |
0.389 |
0 |
0 |
0 |
0.138 |
Average: |
131.5 |
-1.3 |
0.396 |
0 |
0 |
0 |
0.138 |
7 |
12 |
|
[GOL]A:1214 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
12477 |
133.5 |
-0.4 |
0.582 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
16 |
6 |
12540 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
12756 |
130.8 |
-1.8 |
0.371 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[EDO]C:1209 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
12540 |
119.4 |
3.1 |
0.556 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]D:1205 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
20 |
9 |
12450 |
117.2 |
3.9 |
0.507 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]A:1203 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
12477 |
114.2 |
4.0 |
0.710 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]A:1208 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
12477 |
113.2 |
2.9 |
0.485 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]D:1209 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
12450 |
112.3 |
2.7 |
0.631 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[PG4]C:1212 |
13 |
1 |
412 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
12540 |
111.6 |
-0.1 |
0.062 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]B:1202 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
12756 |
111.3 |
2.9 |
0.543 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]A:1213 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
12477 |
110.0 |
2.8 |
0.447 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]C:1206 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
12540 |
109.8 |
4.0 |
0.549 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]D:1211 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
12450 |
109.6 |
0.4 |
0.663 |
1 |
0 |
0 |
0.002 |
19 |
24 |
|
[EDO]D:1210 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
12450 |
109.5 |
2.8 |
0.507 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]D:1203 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
12450 |
109.5 |
3.8 |
0.500 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]A:1205 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
12477 |
107.7 |
3.2 |
0.447 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]A:1212 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
12477 |
106.8 |
2.5 |
0.452 |
2 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]D:1202 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
12450 |
105.0 |
3.1 |
0.485 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]A:1204 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12477 |
104.2 |
2.1 |
0.362 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]C:1202 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
12540 |
104.1 |
2.4 |
0.347 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[EDO]D:1204 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
12450 |
102.6 |
2.2 |
0.254 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[EDO]D:1206 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
12450 |
101.7 |
3.2 |
0.510 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]C:1201 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
12540 |
99.0 |
4.1 |
0.550 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]A:1202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
12477 |
98.7 |
2.3 |
0.450 |
1 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]A:1207 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12477 |
98.0 |
2.1 |
0.399 |
1 |
0 |
0 |
0.000 |
31 |
36 |
|
[EDO]C:1203 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
12540 |
97.8 |
3.1 |
0.465 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[PG4]C:1212 |
10 |
1 |
412 |
f |
D |
x-1,y,z+1 |
1_456 |
8 |
3 |
12450 |
96.5 |
-0.5 |
0.069 |
0 |
0 |
0 |
0.028 |
33 |
38 |
|
[EDO]B:1201 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12756 |
93.3 |
2.6 |
0.285 |
1 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]D:1208 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
12450 |
92.3 |
1.8 |
0.285 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[EDO]D:1207 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
12450 |
89.9 |
1.8 |
0.240 |
1 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]A:1210 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
12477 |
89.4 |
2.2 |
0.298 |
1 |
0 |
0 |
0.000 |
37 |
42 |
|
[EDO]C:1207 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
12540 |
89.1 |
1.9 |
0.233 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[EDO]A:1206 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12477 |
88.9 |
2.6 |
0.319 |
1 |
0 |
0 |
0.000 |
39 |
44 |
|
[EDO]C:1205 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12540 |
85.6 |
1.6 |
0.211 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[EDO]C:1208 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
12540 |
82.9 |
2.2 |
0.262 |
1 |
0 |
0 |
0.000 |
41 |
46 |
|
D |
12 |
4 |
12450 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
4 |
12540 |
79.5 |
1.0 |
0.813 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[EDO]A:1211 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12477 |
79.3 |
2.2 |
0.278 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[EDO]C:1204 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12540 |
65.5 |
1.8 |
0.871 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[CL]A:1215 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
12477 |
63.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[CL]C:1211 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12540 |
63.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.435 |
51 |
|
[CL]D:1213 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
12450 |
62.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.435 |
Average: |
63.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.435 |
46 |
52 |
|
B |
8 |
2 |
12756 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
3 |
12477 |
60.2 |
-1.7 |
0.179 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[EDO]A:1209 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12477 |
58.6 |
1.2 |
0.684 |
0 |
0 |
0 |
0.000 |
48 |
54 |
|
[EDO]A:1210 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
12540 |
54.2 |
1.8 |
0.291 |
0 |
0 |
0 |
0.000 |
49 |
55 |
|
C |
6 |
2 |
12540 |
f |
[EDO]A:1209 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
50.1 |
0.6 |
0.609 |
0 |
0 |
0 |
0.000 |
50 |
56 |
|
[MG]A:1201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12477 |
49.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[PG4]C:1212 |
6 |
1 |
412 |
◊ |
[EDO]D:1208 |
x-1,y,z+1 |
1_456 |
4 |
1 |
187 |
48.7 |
2.7 |
0.405 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[EDO]C:1208 |
4 |
1 |
183 |
f |
[EDO]C:1207 |
x,y,z |
1_555 |
4 |
1 |
186 |
48.1 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[PG4]C:1212 |
4 |
1 |
412 |
f |
[EDO]C:1202 |
x,y,z |
1_555 |
4 |
1 |
186 |
42.2 |
1.9 |
0.482 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[MG]D:1201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12450 |
37.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.223 |
55 |
61 |
|
[EDO]D:1207 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12477 |
37.3 |
0.8 |
0.632 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
C |
5 |
2 |
12540 |
◊ |
D |
x-1,y,z+1 |
1_456 |
3 |
2 |
12450 |
34.9 |
-1.1 |
0.182 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
[EDO]C:1206 |
2 |
1 |
187 |
f |
[EDO]C:1203 |
x,y,z |
1_555 |
2 |
1 |
182 |
34.8 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
B |
2 |
2 |
12756 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
12477 |
34.7 |
0.5 |
0.757 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[EDO]A:1213 |
3 |
1 |
185 |
f |
[EDO]A:1210 |
x,y,z |
1_555 |
4 |
1 |
186 |
33.2 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
60 |
66 |
|
[EDO]D:1203 |
2 |
1 |
184 |
f |
B |
-x-1,y-1/2,-z-2 |
2_443 |
2 |
1 |
12756 |
29.1 |
0.3 |
0.381 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[CL]A:1215 |
1 |
1 |
125 |
f |
[EDO]A:1211 |
x,y,z |
1_555 |
2 |
1 |
185 |
26.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
[EDO]D:1209 |
2 |
1 |
183 |
f |
A |
x,y,z-1 |
1_554 |
3 |
1 |
12477 |
24.8 |
0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[GOL]D:1212 |
2 |
1 |
222 |
◊ |
[EDO]D:1209 |
x,y,z |
1_555 |
2 |
1 |
183 |
24.6 |
0.8 |
0.866 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[GOL]A:1214 |
2 |
1 |
218 |
f |
[EDO]A:1212 |
x,y,z |
1_555 |
2 |
1 |
185 |
21.0 |
0.6 |
0.764 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
[CL]D:1213 |
1 |
1 |
125 |
f |
[GOL]D:1211 |
x,y,z |
1_555 |
2 |
1 |
220 |
18.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.107 |
66 |
72 |
|
B |
1 |
1 |
12756 |
f |
[EDO]D:1205 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
16.5 |
0.2 |
0.364 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
[GOL]B:1203 |
2 |
1 |
221 |
f |
[EDO]B:1202 |
x,y,z |
1_555 |
3 |
1 |
183 |
16.4 |
0.6 |
0.799 |
0 |
0 |
0 |
0.000 |
68 |
74 |
|
C |
1 |
1 |
12540 |
f |
[EDO]A:1203 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
15.7 |
0.1 |
0.364 |
0 |
0 |
0 |
0.000 |
69 |
75 |
|
[GOL]D:1212 |
2 |
1 |
222 |
f |
[EDO]D:1210 |
x,y,z |
1_555 |
2 |
1 |
184 |
15.2 |
0.6 |
0.799 |
0 |
0 |
0 |
0.000 |
70 |
76 |
|
[CL]C:1211 |
1 |
1 |
125 |
f |
[EDO]C:1201 |
x,y,z |
1_555 |
3 |
1 |
184 |
14.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
77 |
|
[MG]D:1201 |
1 |
1 |
98 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
12540 |
12.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
78 |
|
C |
1 |
1 |
12540 |
◊ |
[EDO]A:1211 |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
185 |
11.1 |
0.0 |
0.453 |
0 |
0 |
0 |
0.000 |
73 |
79 |
|
[EDO]D:1206 |
2 |
1 |
187 |
f |
[EDO]D:1202 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.2 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
74 |
80 |
|
[EDO]D:1202 |
2 |
1 |
184 |
f |
A |
x,y,z-1 |
1_554 |
3 |
3 |
12477 |
7.1 |
0.2 |
0.722 |
0 |
0 |
0 |
0.000 |
75 |
81 |
|
C |
3 |
2 |
12540 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
12450 |
6.4 |
0.2 |
0.749 |
0 |
0 |
0 |
0.000 |
82 |
|
B |
3 |
2 |
12756 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
12477 |
4.9 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
Average: |
5.7 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
76 |
83 |
|
[GOL]C:1210 |
2 |
1 |
218 |
f |
[EDO]C:1209 |
x,y,z |
1_555 |
2 |
1 |
184 |
5.4 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
77 |
84 |
|
[EDO]C:1204 |
1 |
1 |
184 |
f |
A |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
12477 |
3.3 |
0.2 |
0.875 |
0 |
0 |
0 |
0.000 |
78 |
85 |
|
C |
1 |
1 |
12540 |
f |
[EDO]D:1208 |
x-1,y,z+1 |
1_456 |
1 |
1 |
187 |
0.1 |
-0.0 |
0.770 |
0 |
0 |
0 |
0.000 |
|