| ## |
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 |
186 |
46 |
14112 |
◊ |
B |
x,y,z |
1_555 |
191 |
48 |
14199 |
1734.9 |
-16.5 |
0.222 |
21 |
8 |
0 |
0.924 |
2 |
|
E |
168 |
44 |
13593 |
◊ |
C |
x,y,z |
1_555 |
165 |
40 |
11864 |
1571.1 |
-13.8 |
0.317 |
19 |
8 |
0 |
0.924 |
3 |
|
F |
162 |
45 |
13648 |
◊ |
A |
x,y,z |
1_555 |
161 |
43 |
14259 |
1524.9 |
-13.4 |
0.263 |
18 |
8 |
0 |
0.924 |
| Average: |
1610.3 |
-14.6 |
0.267 |
19 |
8 |
0 |
0.924 |
| 2 |
4 |
|
E |
163 |
42 |
13593 |
◊ |
A |
x,y,z |
1_555 |
167 |
42 |
14259 |
1557.4 |
-17.2 |
0.109 |
16 |
0 |
0 |
0.918 |
5 |
|
F |
166 |
46 |
13648 |
◊ |
D |
x,y,z |
1_555 |
166 |
44 |
14112 |
1534.9 |
-17.6 |
0.106 |
13 |
0 |
0 |
0.918 |
6 |
|
C |
115 |
34 |
11864 |
◊ |
B |
x,y,z |
1_555 |
111 |
25 |
14199 |
1048.9 |
-16.2 |
0.064 |
10 |
0 |
0 |
0.918 |
| Average: |
1380.4 |
-17.0 |
0.093 |
13 |
0 |
0 |
0.918 |
| 3 |
7 |
|
C |
112 |
25 |
11864 |
◊ |
A |
x,y,z |
1_555 |
142 |
38 |
14259 |
1206.4 |
-10.2 |
0.343 |
19 |
9 |
0 |
0.975 |
8 |
|
E |
120 |
26 |
13593 |
◊ |
B |
x,y,z |
1_555 |
140 |
39 |
14199 |
1202.4 |
-10.4 |
0.299 |
19 |
9 |
0 |
0.975 |
9 |
|
F |
140 |
39 |
13648 |
◊ |
B |
x,y,z |
1_555 |
118 |
26 |
14199 |
1192.5 |
-10.6 |
0.271 |
20 |
9 |
0 |
0.975 |
10 |
|
D |
137 |
38 |
14112 |
◊ |
A |
x,y,z |
1_555 |
113 |
24 |
14259 |
1167.5 |
-8.9 |
0.347 |
21 |
9 |
0 |
0.975 |
11 |
|
D |
105 |
24 |
14112 |
◊ |
C |
x,y,z |
1_555 |
134 |
36 |
11864 |
1136.6 |
-8.5 |
0.414 |
20 |
9 |
0 |
0.975 |
12 |
|
F |
113 |
25 |
13648 |
◊ |
E |
x,y,z |
1_555 |
132 |
35 |
13593 |
1120.4 |
-9.7 |
0.290 |
19 |
9 |
0 |
0.975 |
| Average: |
1171.0 |
-9.7 |
0.327 |
20 |
9 |
0 |
0.975 |
| 4 |
13 |
|
B |
35 |
11 |
14199 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
10 |
14259 |
346.4 |
0.1 |
0.720 |
3 |
4 |
0 |
0.000 |
| 5 |
14 |
|
A |
32 |
9 |
14259 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
9 |
14199 |
283.1 |
-0.2 |
0.635 |
4 |
2 |
0 |
0.000 |
| 6 |
15 |
|
F |
23 |
7 |
13648 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
25 |
7 |
14259 |
229.5 |
2.6 |
0.717 |
4 |
5 |
0 |
0.000 |
| 7 |
16 |
|
E |
25 |
6 |
13593 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
11864 |
214.5 |
-1.0 |
0.584 |
3 |
4 |
0 |
0.000 |
| 8 |
17 |
|
E |
21 |
8 |
13593 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
6 |
14112 |
177.2 |
2.2 |
0.840 |
1 |
5 |
0 |
0.000 |
| 9 |
18 |
|
C |
14 |
4 |
11864 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
16 |
5 |
14112 |
123.8 |
0.1 |
0.695 |
1 |
2 |
0 |
0.000 |
| 10 |
19 |
|
[GOL]D:302 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
14112 |
112.8 |
-0.3 |
0.556 |
1 |
0 |
0 |
0.063 |
| 11 |
20 |
|
[GOL]F:302 |
5 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
13648 |
112.1 |
0.2 |
0.644 |
5 |
0 |
0 |
0.101 |
21 |
|
[GOL]A:303 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14259 |
109.9 |
-0.3 |
0.556 |
1 |
0 |
0 |
0.101 |
| Average: |
111.0 |
-0.1 |
0.600 |
3 |
0 |
0 |
0.101 |
| 12 |
22 |
|
[GOL]C:302 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
11864 |
109.1 |
0.3 |
0.655 |
4 |
0 |
0 |
0.081 |
| 13 |
23 |
|
[NO3]C:301 |
4 |
1 |
168 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
11864 |
100.9 |
1.4 |
0.608 |
4 |
0 |
0 |
0.019 |
| 14 |
24 |
|
[NO3]D:301 |
4 |
1 |
167 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
14112 |
98.1 |
1.4 |
0.584 |
6 |
0 |
0 |
0.106 |
| 15 |
25 |
|
[NO3]E:301 |
4 |
1 |
169 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
13593 |
97.9 |
1.3 |
0.567 |
4 |
0 |
0 |
0.461 |
| 16 |
26 |
|
[NO3]A:301 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
14259 |
97.1 |
1.3 |
0.572 |
6 |
0 |
0 |
0.063 |
| 17 |
27 |
|
[NO3]F:301 |
4 |
1 |
168 |
f |
F |
x,y,z |
1_555 |
17 |
10 |
13648 |
96.9 |
1.4 |
0.575 |
6 |
0 |
0 |
0.046 |
| 18 |
28 |
|
[NO3]B:301 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
14199 |
96.7 |
1.4 |
0.585 |
6 |
0 |
0 |
0.040 |
| 19 |
29 |
|
[NO3]E:302 |
4 |
1 |
168 |
◊ |
E |
x,y,z |
1_555 |
16 |
7 |
13593 |
85.2 |
1.2 |
0.488 |
1 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[NO3]B:302 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
14199 |
84.6 |
1.2 |
0.494 |
1 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[SIN]A:302 |
7 |
1 |
258 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
14112 |
77.8 |
0.8 |
0.270 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[SIN]B:304 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14199 |
76.8 |
0.6 |
0.207 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[SIN]B:304 |
7 |
1 |
252 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
13593 |
75.3 |
1.5 |
0.319 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[SIN]A:302 |
6 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
14259 |
74.8 |
1.3 |
0.363 |
1 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[SIN]A:302 |
8 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
11864 |
74.6 |
1.3 |
0.299 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[SIN]B:304 |
8 |
1 |
252 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
13648 |
70.6 |
0.9 |
0.197 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
E |
10 |
2 |
13593 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
2 |
14199 |
69.1 |
0.3 |
0.703 |
1 |
0 |
0 |
0.000 |
| 28 |
38 |
|
B |
11 |
2 |
14199 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
14112 |
62.7 |
-0.4 |
0.547 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14199 |
55.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.252 |
| 30 |
40 |
|
A |
5 |
2 |
14259 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
14259 |
55.3 |
1.0 |
0.840 |
0 |
2 |
0 |
0.000 |
| 31 |
41 |
|
[GOL]C:302 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14112 |
45.3 |
1.3 |
0.784 |
1 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[GOL]F:302 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14199 |
43.4 |
1.1 |
0.787 |
1 |
0 |
0 |
0.000 |
43 |
|
[GOL]D:302 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14259 |
42.9 |
1.1 |
0.785 |
2 |
0 |
0 |
0.000 |
| Average: |
43.1 |
1.1 |
0.786 |
2 |
0 |
0 |
0.000 |
| 33 |
44 |
|
E |
5 |
3 |
13593 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
3 |
11864 |
42.9 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
45 |
|
F |
4 |
2 |
13648 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
14259 |
38.8 |
-1.0 |
0.276 |
0 |
0 |
0 |
0.000 |
| Average: |
40.9 |
-0.8 |
0.367 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[GOL]A:303 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11864 |
41.6 |
1.2 |
0.789 |
2 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[NO3]E:302 |
3 |
1 |
168 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
13648 |
37.9 |
1.3 |
0.982 |
2 |
0 |
0 |
0.000 |
| 36 |
48 |
|
[NO3]B:302 |
3 |
1 |
168 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
13593 |
35.1 |
1.2 |
0.979 |
2 |
0 |
0 |
0.000 |
| 37 |
49 |
|
B |
2 |
2 |
14199 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
14112 |
12.4 |
0.3 |
0.658 |
0 |
0 |
0 |
0.000 |
|