| ## |
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 |
236 |
67 |
21989 |
◊ |
A |
x,y,z |
1_555 |
233 |
68 |
21868 |
2303.6 |
-15.2 |
0.428 |
25 |
15 |
0 |
0.997 |
2 |
|
C |
219 |
66 |
22063 |
◊ |
B |
x,y,z |
1_555 |
230 |
66 |
21989 |
2221.1 |
-11.1 |
0.542 |
24 |
15 |
0 |
0.997 |
| Average: |
2262.4 |
-13.1 |
0.485 |
25 |
15 |
0 |
0.997 |
| 2 |
3 |
|
D |
217 |
64 |
22119 |
◊ |
E |
x,y,z |
1_555 |
215 |
65 |
22272 |
2121.1 |
-11.0 |
0.535 |
20 |
9 |
0 |
1.000 |
4 |
|
F |
211 |
59 |
22001 |
◊ |
A |
x,y,z |
1_555 |
226 |
63 |
21868 |
2100.8 |
-9.8 |
0.621 |
20 |
13 |
0 |
1.000 |
| Average: |
2111.0 |
-10.4 |
0.578 |
20 |
11 |
0 |
1.000 |
| 3 |
5 |
|
F |
173 |
55 |
22001 |
◊ |
E |
x,y,z |
1_555 |
188 |
53 |
22272 |
1848.7 |
-12.9 |
0.305 |
22 |
16 |
0 |
0.811 |
6 |
|
D |
175 |
54 |
22119 |
◊ |
C |
x,y,z |
1_555 |
190 |
54 |
22063 |
1766.7 |
-14.1 |
0.311 |
22 |
11 |
0 |
0.811 |
| Average: |
1807.7 |
-13.5 |
0.308 |
22 |
14 |
0 |
0.811 |
| 4 |
7 |
|
A |
63 |
17 |
21868 |
◊ |
E |
-x-2,y-1/2,-z+1 |
2_346 |
65 |
19 |
22272 |
549.4 |
-8.2 |
0.172 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
F |
48 |
12 |
22001 |
◊ |
D |
-x-2,y-1/2,-z |
2_345 |
43 |
13 |
22119 |
410.1 |
0.8 |
0.788 |
9 |
0 |
0 |
0.000 |
| 6 |
9 |
|
F |
35 |
14 |
22001 |
◊ |
D |
-x-2,y-1/2,-z+1 |
2_346 |
35 |
11 |
22119 |
353.0 |
-3.1 |
0.401 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
E |
42 |
15 |
22272 |
◊ |
B |
x-1,y,z |
1_455 |
38 |
10 |
21989 |
334.0 |
2.2 |
0.868 |
5 |
6 |
0 |
0.000 |
| 8 |
11 |
|
B |
18 |
4 |
21989 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
26 |
7 |
22063 |
196.7 |
-1.8 |
0.275 |
2 |
1 |
0 |
0.000 |
| 9 |
12 |
|
F |
24 |
8 |
22001 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
7 |
21989 |
178.6 |
0.4 |
0.690 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
A |
21 |
8 |
21868 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
23 |
11 |
22063 |
168.8 |
-1.7 |
0.439 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[GOL]D:604 |
6 |
1 |
226 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
22119 |
146.4 |
-0.6 |
0.544 |
5 |
0 |
0 |
0.077 |
| 12 |
15 |
|
[GOL]F:604 |
6 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
25 |
10 |
22001 |
140.7 |
-0.8 |
0.502 |
0 |
0 |
0 |
0.041 |
| 13 |
16 |
|
[GOL]B:602 |
6 |
1 |
226 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
21989 |
139.3 |
-1.2 |
0.427 |
3 |
0 |
0 |
0.471 |
| 14 |
17 |
|
[GOL]E:605 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
30 |
13 |
22272 |
137.9 |
-1.5 |
0.436 |
1 |
0 |
0 |
0.063 |
| 15 |
18 |
|
[EDO]B:603 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
21989 |
131.7 |
3.2 |
0.595 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[EDO]F:605 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
22001 |
119.6 |
2.4 |
0.360 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[GOL]E:602 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
23 |
7 |
22272 |
118.5 |
-0.2 |
0.603 |
3 |
0 |
0 |
0.051 |
| 18 |
21 |
|
[GOL]E:601 |
6 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
22272 |
117.8 |
-0.5 |
0.468 |
8 |
0 |
0 |
0.132 |
| 19 |
22 |
|
[GOL]D:606 |
6 |
1 |
224 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
22119 |
116.4 |
0.5 |
0.577 |
6 |
0 |
0 |
0.060 |
| 20 |
23 |
|
[GOL]A:601 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21868 |
116.1 |
-0.7 |
0.512 |
6 |
0 |
0 |
0.163 |
| 21 |
24 |
|
[GOL]F:602 |
6 |
1 |
223 |
f |
F |
x,y,z |
1_555 |
22 |
10 |
22001 |
115.8 |
-0.2 |
0.590 |
3 |
0 |
0 |
0.077 |
| 22 |
25 |
|
[EDO]C:602 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
22063 |
115.0 |
3.2 |
0.492 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[GOL]C:601 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
22063 |
114.0 |
-0.6 |
0.497 |
3 |
0 |
0 |
0.052 |
| 24 |
27 |
|
[GOL]D:601 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
22119 |
113.4 |
0.4 |
0.689 |
9 |
0 |
0 |
0.099 |
| 25 |
28 |
|
[GOL]B:601 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
21989 |
112.3 |
-1.7 |
0.355 |
3 |
0 |
0 |
0.567 |
| 26 |
29 |
|
[GOL]F:601 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
22001 |
112.3 |
-0.1 |
0.600 |
3 |
0 |
0 |
0.069 |
| 27 |
30 |
|
[GOL]D:605 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
22119 |
110.6 |
0.3 |
0.637 |
4 |
0 |
0 |
0.042 |
| 28 |
31 |
|
[GOL]E:604 |
5 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
22272 |
110.5 |
1.0 |
0.720 |
3 |
0 |
0 |
0.012 |
| 29 |
32 |
|
[GOL]D:603 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
22119 |
109.4 |
-1.0 |
0.466 |
0 |
0 |
0 |
0.026 |
| 30 |
33 |
|
[GOL]E:603 |
6 |
1 |
223 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
22272 |
105.3 |
0.0 |
0.585 |
3 |
0 |
0 |
0.042 |
| 31 |
34 |
|
[EDO]B:605 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
21989 |
103.9 |
2.9 |
0.468 |
3 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[EDO]A:605 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
21868 |
96.4 |
2.7 |
0.502 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[EDO]A:604 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
21868 |
87.5 |
1.4 |
0.223 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[GOL]A:603 |
6 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
21868 |
82.8 |
-0.1 |
0.592 |
1 |
0 |
0 |
0.028 |
| 35 |
38 |
|
[EDO]F:606 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
22001 |
79.4 |
1.2 |
0.611 |
0 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[GOL]F:603 |
5 |
1 |
223 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
22001 |
75.7 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[EDO]D:608 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
22119 |
75.1 |
2.7 |
0.323 |
1 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[GOL]D:602 |
5 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
22119 |
74.5 |
-1.2 |
0.232 |
0 |
0 |
0 |
0.033 |
| 39 |
42 |
|
[EDO]B:604 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
21989 |
73.7 |
2.2 |
0.303 |
2 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[EDO]D:607 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
22119 |
73.2 |
1.4 |
0.219 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
B |
13 |
4 |
21989 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
2 |
22119 |
69.8 |
0.6 |
0.760 |
1 |
1 |
0 |
0.000 |
| 42 |
45 |
|
[EDO]A:605 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
22001 |
64.3 |
0.7 |
0.503 |
1 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[GOL]A:602 |
4 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
21868 |
53.1 |
0.6 |
0.679 |
3 |
0 |
0 |
0.035 |
| 44 |
47 |
|
[EDO]D:608 |
3 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
22272 |
47.6 |
1.8 |
0.290 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[GOL]E:601 |
3 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
22119 |
44.8 |
0.5 |
0.628 |
1 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[EDO]B:606 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
21989 |
43.0 |
0.6 |
0.620 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[GOL]E:602 |
5 |
1 |
218 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
3 |
21989 |
39.7 |
0.4 |
0.692 |
1 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[GOL]B:601 |
2 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21868 |
26.7 |
0.5 |
0.753 |
0 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[EDO]F:606 |
2 |
1 |
187 |
f |
[EDO]F:605 |
x,y,z |
1_555 |
2 |
1 |
186 |
24.1 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[GOL]E:604 |
2 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
22001 |
20.1 |
0.3 |
0.673 |
1 |
0 |
0 |
0.005 |
| 51 |
54 |
|
[EDO]D:607 |
3 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
22272 |
18.1 |
0.6 |
0.878 |
0 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[GOL]A:602 |
2 |
1 |
224 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
22001 |
14.8 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.020 |
| 53 |
56 |
|
[GOL]A:601 |
4 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
22001 |
13.1 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
| 54 |
57 |
|
[GOL]A:602 |
2 |
1 |
224 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
21989 |
9.6 |
0.3 |
0.696 |
0 |
0 |
0 |
0.000 |
| 55 |
58 |
|
E |
1 |
1 |
22272 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
22063 |
6.6 |
0.0 |
0.484 |
0 |
0 |
0 |
0.000 |
| 56 |
59 |
|
[EDO]B:604 |
1 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
22063 |
3.8 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
| 57 |
60 |
|
[GOL]C:601 |
1 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21989 |
3.3 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| 58 |
61 |
|
[GOL]F:604 |
1 |
1 |
221 |
◊ |
D |
-x-2,y-1/2,-z |
2_345 |
1 |
1 |
22119 |
1.9 |
-0.1 |
0.484 |
0 |
0 |
0 |
0.000 |
| 59 |
62 |
|
[GOL]F:601 |
1 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22272 |
0.3 |
0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
|