| ## |
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 |
169 |
41 |
12013 |
◊ |
C |
x,y,z |
1_555 |
186 |
51 |
12040 |
1823.5 |
-29.6 |
0.029 |
18 |
3 |
0 |
0.786 |
2 |
|
E |
165 |
42 |
12202 |
◊ |
D |
x,y,z |
1_555 |
185 |
50 |
12013 |
1772.9 |
-29.2 |
0.033 |
18 |
3 |
0 |
0.786 |
3 |
|
C |
164 |
42 |
12040 |
◊ |
B |
x,y,z |
1_555 |
187 |
52 |
12110 |
1768.8 |
-29.1 |
0.028 |
16 |
2 |
0 |
0.786 |
4 |
|
E |
180 |
50 |
12202 |
◊ |
A |
x,y,z |
1_555 |
168 |
41 |
11968 |
1735.9 |
-29.3 |
0.034 |
15 |
3 |
0 |
0.786 |
5 |
|
B |
158 |
40 |
12110 |
◊ |
A |
x,y,z |
1_555 |
173 |
50 |
11968 |
1685.9 |
-30.0 |
0.017 |
14 |
1 |
0 |
0.786 |
| Average: |
1757.4 |
-29.5 |
0.028 |
16 |
2 |
0 |
0.786 |
| 2 |
6 |
|
D |
63 |
17 |
12013 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
64 |
17 |
12110 |
508.2 |
-6.3 |
0.351 |
0 |
0 |
0 |
0.059 |
7 |
|
E |
61 |
16 |
12202 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
61 |
16 |
11968 |
494.0 |
-6.3 |
0.340 |
0 |
0 |
0 |
0.059 |
8 |
|
C |
60 |
16 |
12040 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
60 |
16 |
12040 |
480.5 |
-6.3 |
0.318 |
0 |
0 |
0 |
0.059 |
| Average: |
494.2 |
-6.3 |
0.336 |
0 |
0 |
0 |
0.059 |
| 3 |
9 |
|
C |
43 |
11 |
12040 |
◊ |
C |
x,-y,-z |
4_555 |
43 |
11 |
12040 |
392.1 |
3.7 |
0.937 |
10 |
4 |
0 |
0.000 |
| 4 |
10 |
|
[F6R]A:301 |
15 |
1 |
396 |
cf |
A |
x,y,z |
1_555 |
31 |
15 |
11968 |
238.2 |
-1.2 |
0.757 |
10 |
0 |
0 |
0.072 |
11 |
|
[F6R]E:301 |
15 |
1 |
395 |
cf |
E |
x,y,z |
1_555 |
29 |
15 |
12202 |
237.2 |
-1.3 |
0.753 |
9 |
0 |
0 |
0.072 |
| Average: |
237.7 |
-1.2 |
0.755 |
10 |
0 |
0 |
0.072 |
| 5 |
12 |
|
[F6R]B:301 |
15 |
1 |
396 |
cf |
B |
x,y,z |
1_555 |
32 |
16 |
12110 |
237.0 |
-1.1 |
0.744 |
9 |
0 |
0 |
0.072 |
| 6 |
13 |
|
[F6R]C:301 |
15 |
1 |
395 |
cf |
C |
x,y,z |
1_555 |
30 |
14 |
12040 |
235.7 |
-1.0 |
0.757 |
9 |
0 |
0 |
0.057 |
| 7 |
14 |
|
[F6R]D:301 |
15 |
1 |
394 |
cf |
D |
x,y,z |
1_555 |
29 |
15 |
12013 |
235.6 |
-1.0 |
0.747 |
10 |
0 |
0 |
0.057 |
| 8 |
15 |
|
D |
19 |
9 |
12013 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
20 |
9 |
11968 |
175.7 |
0.8 |
0.789 |
3 |
0 |
0 |
0.006 |
16 |
|
C |
19 |
8 |
12040 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
21 |
9 |
12110 |
152.3 |
0.2 |
0.729 |
2 |
0 |
0 |
0.006 |
17 |
|
E |
19 |
7 |
12202 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
19 |
7 |
12202 |
150.6 |
-0.1 |
0.707 |
2 |
0 |
0 |
0.006 |
| Average: |
159.6 |
0.3 |
0.741 |
2 |
0 |
0 |
0.006 |
| 9 |
18 |
|
D |
29 |
12 |
12013 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
20 |
8 |
12110 |
171.0 |
1.4 |
0.824 |
0 |
1 |
0 |
0.000 |
| 10 |
19 |
|
E |
16 |
7 |
12202 |
◊ |
E |
x,-y-1,-z |
4_545 |
16 |
7 |
12202 |
158.0 |
2.8 |
0.928 |
2 |
4 |
0 |
0.000 |
| 11 |
20 |
|
C |
10 |
5 |
12040 |
◊ |
D |
-x,-y,z-1/2 |
2_554 |
17 |
4 |
12013 |
131.1 |
0.7 |
0.774 |
2 |
3 |
0 |
0.000 |
| 12 |
21 |
|
A |
15 |
5 |
11968 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
5 |
11968 |
117.3 |
-1.6 |
0.419 |
0 |
0 |
0 |
0.022 |
22 |
|
E |
11 |
4 |
12202 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
11 |
4 |
12110 |
95.5 |
-2.5 |
0.232 |
0 |
0 |
0 |
0.022 |
23 |
|
D |
11 |
4 |
12013 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
11 |
4 |
12040 |
89.7 |
-2.5 |
0.220 |
0 |
0 |
0 |
0.022 |
| Average: |
100.8 |
-2.2 |
0.290 |
0 |
0 |
0 |
0.022 |
| 13 |
24 |
|
D |
13 |
5 |
12013 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
14 |
6 |
11968 |
106.1 |
1.5 |
0.836 |
0 |
1 |
0 |
0.000 |
| 14 |
25 |
|
[ACT]A:304 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
16 |
5 |
12202 |
92.2 |
-1.0 |
0.625 |
0 |
0 |
0 |
0.012 |
| 15 |
26 |
|
[GOL]A:302 |
5 |
1 |
223 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
15 |
4 |
12202 |
90.7 |
-1.5 |
0.380 |
0 |
0 |
0 |
0.006 |
| 16 |
27 |
|
[GOL]C:302 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
12040 |
90.4 |
-1.6 |
0.369 |
0 |
0 |
0 |
0.018 |
| 17 |
28 |
|
C |
10 |
5 |
12040 |
◊ |
B |
x,-y,-z |
4_555 |
7 |
5 |
12110 |
74.3 |
2.4 |
0.920 |
1 |
2 |
0 |
0.000 |
| 18 |
29 |
|
[GOL]D:302 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
12013 |
68.2 |
-0.6 |
0.431 |
2 |
0 |
0 |
0.006 |
| 19 |
30 |
|
[GOL]D:302 |
5 |
1 |
218 |
f |
B |
-x,y,-z+1/2 |
3_555 |
14 |
7 |
12110 |
67.9 |
-0.2 |
0.492 |
4 |
0 |
0 |
0.028 |
| 20 |
31 |
|
[ACT]B:303 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12110 |
67.2 |
-0.0 |
0.729 |
1 |
0 |
0 |
0.002 |
| 21 |
32 |
|
[ACT]E:303 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
12202 |
66.4 |
-0.0 |
0.742 |
1 |
0 |
0 |
0.004 |
33 |
|
[ACT]C:304 |
4 |
1 |
184 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
10 |
4 |
12040 |
64.1 |
-0.1 |
0.728 |
1 |
0 |
0 |
0.004 |
| Average: |
65.3 |
-0.1 |
0.735 |
1 |
0 |
0 |
0.004 |
| 22 |
34 |
|
[GOL]A:303 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11968 |
66.0 |
-0.4 |
0.497 |
4 |
0 |
0 |
0.036 |
35 |
|
[GOL]E:302 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
12202 |
65.8 |
-0.1 |
0.556 |
4 |
0 |
0 |
0.036 |
36 |
|
[GOL]B:302 |
6 |
1 |
219 |
f |
D |
-x,y,-z+1/2 |
3_555 |
15 |
7 |
12013 |
64.6 |
-0.4 |
0.507 |
4 |
0 |
0 |
0.036 |
37 |
|
[GOL]C:303 |
6 |
1 |
217 |
f |
C |
-x,y,-z+1/2 |
3_555 |
13 |
7 |
12040 |
63.9 |
-0.4 |
0.490 |
4 |
0 |
0 |
0.036 |
| Average: |
65.1 |
-0.3 |
0.513 |
4 |
0 |
0 |
0.036 |
| 23 |
38 |
|
[ACT]C:304 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
12040 |
64.9 |
-0.1 |
0.727 |
1 |
0 |
0 |
0.004 |
| 24 |
39 |
|
[GOL]E:302 |
5 |
1 |
218 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
17 |
7 |
11968 |
64.7 |
-0.7 |
0.462 |
2 |
0 |
0 |
0.006 |
| 25 |
40 |
|
[GOL]B:302 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
12110 |
64.7 |
-0.5 |
0.462 |
2 |
0 |
0 |
0.015 |
41 |
|
[GOL]A:303 |
5 |
1 |
218 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
16 |
7 |
12202 |
64.2 |
-0.4 |
0.478 |
2 |
0 |
0 |
0.015 |
42 |
|
[GOL]C:303 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
12040 |
61.2 |
-0.6 |
0.462 |
2 |
0 |
0 |
0.015 |
| Average: |
63.4 |
-0.5 |
0.467 |
2 |
0 |
0 |
0.015 |
| 26 |
43 |
|
[ACT]E:303 |
4 |
1 |
184 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
10 |
4 |
11968 |
64.3 |
-0.2 |
0.728 |
1 |
0 |
0 |
0.003 |
| 27 |
44 |
|
[ACT]B:303 |
4 |
1 |
182 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
9 |
4 |
12013 |
62.1 |
-0.2 |
0.720 |
1 |
0 |
0 |
0.002 |
| 28 |
45 |
|
[GOL]D:302 |
6 |
1 |
218 |
◊ |
[GOL]B:302 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
219 |
60.4 |
-0.5 |
0.422 |
0 |
0 |
0 |
0.002 |
| 29 |
46 |
|
[GOL]E:302 |
6 |
1 |
218 |
◊ |
[GOL]A:303 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
218 |
59.9 |
-0.4 |
0.452 |
0 |
0 |
0 |
0.002 |
47 |
|
[GOL]C:303 |
6 |
1 |
217 |
◊ |
[GOL]C:303 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
217 |
58.0 |
-0.5 |
0.436 |
0 |
0 |
0 |
0.002 |
| Average: |
58.9 |
-0.5 |
0.444 |
0 |
0 |
0 |
0.002 |
| 30 |
48 |
|
E |
6 |
3 |
12202 |
◊ |
C |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
7 |
2 |
12040 |
58.8 |
-0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
| 31 |
49 |
|
[GOL]A:302 |
4 |
1 |
223 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11968 |
55.1 |
0.6 |
0.709 |
3 |
0 |
0 |
0.003 |
| 32 |
50 |
|
[GOL]C:302 |
4 |
1 |
221 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
8 |
3 |
12040 |
52.4 |
0.6 |
0.725 |
2 |
0 |
0 |
0.002 |
| 33 |
51 |
|
E |
7 |
3 |
12202 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
5 |
1 |
12110 |
47.7 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
| 34 |
52 |
|
E |
8 |
4 |
12202 |
◊ |
D |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
4 |
2 |
12013 |
47.5 |
0.7 |
0.665 |
0 |
1 |
0 |
0.000 |
| 35 |
53 |
|
[GOL]A:302 |
3 |
1 |
223 |
f |
D |
-x,y,-z+1/2 |
3_555 |
4 |
2 |
12013 |
36.9 |
-1.5 |
0.118 |
1 |
0 |
0 |
0.020 |
| 36 |
54 |
|
[ACT]A:304 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11968 |
33.4 |
0.6 |
0.870 |
1 |
0 |
0 |
0.000 |
| 37 |
55 |
|
[GOL]C:302 |
3 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12110 |
33.1 |
-1.5 |
0.086 |
0 |
0 |
0 |
0.006 |
| 38 |
56 |
|
B |
4 |
1 |
12110 |
◊ |
D |
-x,-y,z-1/2 |
2_554 |
4 |
1 |
12013 |
31.7 |
0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
| 39 |
57 |
|
[F6R]E:301 |
3 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11968 |
27.6 |
-1.3 |
0.354 |
0 |
0 |
0 |
0.011 |
58 |
|
[F6R]A:301 |
3 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12110 |
26.4 |
-1.3 |
0.355 |
0 |
0 |
0 |
0.011 |
| Average: |
27.0 |
-1.3 |
0.355 |
0 |
0 |
0 |
0.011 |
| 40 |
59 |
|
[F6R]B:301 |
3 |
1 |
396 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12040 |
27.1 |
-1.3 |
0.350 |
0 |
0 |
0 |
0.005 |
| 41 |
60 |
|
[F6R]C:301 |
3 |
1 |
395 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12013 |
26.8 |
-1.2 |
0.354 |
0 |
0 |
0 |
0.005 |
| 42 |
61 |
|
[F6R]D:301 |
3 |
1 |
394 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12202 |
26.5 |
-1.2 |
0.368 |
0 |
0 |
0 |
0.005 |
| 43 |
62 |
|
[ACT]B:303 |
3 |
1 |
182 |
◊ |
[GOL]D:302 |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
218 |
6.8 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
| 44 |
63 |
|
[ACT]E:303 |
3 |
1 |
184 |
◊ |
[GOL]E:302 |
x,y,z |
1_555 |
2 |
1 |
218 |
6.8 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
| 45 |
64 |
|
[ACT]C:304 |
3 |
1 |
184 |
◊ |
[GOL]C:303 |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
217 |
6.7 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
65 |
|
[ACT]E:303 |
3 |
1 |
184 |
◊ |
[GOL]A:303 |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
218 |
6.6 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
| Average: |
6.7 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
| 46 |
66 |
|
[ACT]B:303 |
1 |
1 |
182 |
◊ |
[GOL]B:302 |
x,y,z |
1_555 |
2 |
1 |
219 |
6.7 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 47 |
67 |
|
[ACT]C:304 |
3 |
1 |
184 |
◊ |
[GOL]C:303 |
x,y,z |
1_555 |
2 |
1 |
217 |
6.6 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
| 48 |
68 |
|
B |
2 |
2 |
12110 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
2 |
12110 |
1.6 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
|