| ## |
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 |
166 |
46 |
12238 |
◊ |
A |
x,y,z |
1_555 |
162 |
43 |
12393 |
1575.9 |
-22.1 |
0.019 |
20 |
0 |
0 |
1.000 |
2 |
|
H |
157 |
42 |
12399 |
◊ |
G |
x,y,z |
1_555 |
158 |
41 |
12191 |
1517.9 |
-25.6 |
0.005 |
20 |
0 |
0 |
1.000 |
3 |
|
F |
153 |
40 |
11962 |
◊ |
E |
x,y,z |
1_555 |
155 |
42 |
12193 |
1509.6 |
-24.4 |
0.006 |
19 |
0 |
0 |
1.000 |
4 |
|
C |
147 |
41 |
12295 |
◊ |
B |
x,y,z |
1_555 |
159 |
44 |
12186 |
1504.4 |
-23.9 |
0.005 |
19 |
0 |
0 |
1.000 |
| Average: |
1526.9 |
-24.0 |
0.009 |
20 |
0 |
0 |
1.000 |
| 2 |
5 |
|
D |
99 |
26 |
12238 |
◊ |
B |
x,y,z |
1_555 |
101 |
26 |
12186 |
993.9 |
-3.0 |
0.530 |
16 |
7 |
0 |
0.552 |
6 |
|
H |
98 |
25 |
12399 |
◊ |
F |
x,y,z |
1_555 |
101 |
26 |
11962 |
951.6 |
-6.2 |
0.365 |
13 |
5 |
0 |
0.552 |
7 |
|
G |
96 |
27 |
12191 |
◊ |
E |
x,y,z |
1_555 |
105 |
27 |
12193 |
935.7 |
-6.5 |
0.335 |
10 |
4 |
0 |
0.552 |
8 |
|
C |
96 |
25 |
12295 |
◊ |
A |
x,y,z |
1_555 |
95 |
24 |
12393 |
913.2 |
-5.9 |
0.322 |
13 |
4 |
0 |
0.552 |
| Average: |
948.6 |
-5.4 |
0.388 |
13 |
5 |
0 |
0.552 |
| 3 |
9 |
|
D |
46 |
14 |
12238 |
◊ |
F |
x-1,y,z |
1_455 |
47 |
14 |
11962 |
421.4 |
3.5 |
0.853 |
4 |
7 |
0 |
0.000 |
| 4 |
10 |
|
B |
41 |
12 |
12186 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
9 |
12393 |
320.2 |
0.0 |
0.646 |
6 |
2 |
0 |
0.000 |
| 5 |
11 |
|
F |
40 |
13 |
11962 |
◊ |
G |
-x+2,y-1/2,-z+2 |
2_747 |
35 |
8 |
12191 |
310.9 |
-0.9 |
0.583 |
4 |
2 |
0 |
0.000 |
| 6 |
12 |
|
E |
35 |
10 |
12193 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
7 |
12295 |
291.3 |
0.2 |
0.646 |
4 |
3 |
0 |
0.000 |
| 7 |
13 |
|
B |
31 |
9 |
12186 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
8 |
12186 |
288.5 |
-0.3 |
0.494 |
5 |
5 |
0 |
0.000 |
| 8 |
14 |
|
C |
30 |
9 |
12295 |
◊ |
G |
x,y,z-1 |
1_554 |
32 |
9 |
12191 |
258.1 |
0.2 |
0.635 |
2 |
4 |
0 |
0.000 |
| 9 |
15 |
|
D |
25 |
8 |
12238 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
30 |
10 |
12393 |
252.6 |
-0.9 |
0.536 |
2 |
0 |
0 |
0.000 |
| 10 |
16 |
|
F |
27 |
6 |
11962 |
x |
F |
-x+2,y-1/2,-z+2 |
2_747 |
28 |
7 |
11962 |
247.7 |
-1.1 |
0.499 |
3 |
5 |
0 |
0.000 |
| 11 |
17 |
|
[PG4]C:302 |
13 |
1 |
403 |
f |
C |
x,y,z |
1_555 |
29 |
8 |
12295 |
214.8 |
6.8 |
0.443 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[PG4]B:302 |
13 |
1 |
393 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
12186 |
202.7 |
6.3 |
0.409 |
2 |
0 |
0 |
0.000 |
| 13 |
19 |
|
A |
24 |
7 |
12393 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
22 |
7 |
12393 |
198.4 |
2.3 |
0.838 |
4 |
4 |
0 |
0.000 |
| 14 |
20 |
|
[PGE]F:302 |
10 |
1 |
332 |
f |
F |
x,y,z |
1_555 |
27 |
8 |
11962 |
182.4 |
6.5 |
0.466 |
2 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[PGE]B:303 |
10 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
19 |
10 |
12186 |
159.6 |
2.9 |
0.145 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[PGE]H:302 |
9 |
1 |
323 |
◊ |
H |
x,y,z |
1_555 |
25 |
7 |
12399 |
157.1 |
4.2 |
0.347 |
2 |
0 |
0 |
0.000 |
| 17 |
23 |
|
E |
15 |
5 |
12193 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
12186 |
151.6 |
1.6 |
0.803 |
2 |
1 |
0 |
0.000 |
| 18 |
24 |
|
H |
17 |
5 |
12399 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
19 |
6 |
12238 |
149.7 |
0.9 |
0.728 |
1 |
1 |
0 |
0.000 |
| 19 |
25 |
|
[PGE]C:303 |
10 |
1 |
324 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
12295 |
145.4 |
2.8 |
0.145 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[PGE]E:302 |
8 |
1 |
330 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
12193 |
132.1 |
1.8 |
0.179 |
3 |
0 |
0 |
0.000 |
| 21 |
27 |
|
E |
17 |
5 |
12193 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
16 |
6 |
12191 |
125.5 |
-0.3 |
0.587 |
1 |
2 |
0 |
0.000 |
| 22 |
28 |
|
B |
17 |
7 |
12186 |
◊ |
H |
x,y,z-1 |
1_554 |
16 |
7 |
12399 |
119.1 |
1.2 |
0.753 |
1 |
2 |
0 |
0.000 |
| 23 |
29 |
|
[EDO]E:304 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
22 |
5 |
12193 |
112.0 |
3.2 |
0.476 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
G |
21 |
7 |
12191 |
f |
[EDO]G:302 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
183 |
109.4 |
3.3 |
0.503 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
E |
11 |
3 |
12193 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
12238 |
100.9 |
2.1 |
0.860 |
3 |
4 |
0 |
0.000 |
| 26 |
32 |
|
[ACT]A:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
12393 |
90.5 |
-0.6 |
0.644 |
0 |
0 |
0 |
0.022 |
| 27 |
33 |
|
[EDO]E:303 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
12193 |
89.0 |
2.4 |
0.272 |
1 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[EDO]A:306 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
12393 |
87.0 |
1.6 |
0.210 |
2 |
0 |
0 |
0.000 |
| 29 |
35 |
|
G |
15 |
6 |
12191 |
x |
G |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
6 |
12191 |
85.8 |
2.2 |
0.863 |
1 |
0 |
0 |
0.000 |
| 30 |
36 |
|
B |
13 |
4 |
12186 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
12238 |
84.0 |
0.6 |
0.714 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[ACT]F:303 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
11962 |
80.4 |
-1.4 |
0.442 |
0 |
0 |
0 |
0.074 |
| 32 |
38 |
|
[EDO]A:305 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12393 |
79.0 |
1.0 |
0.165 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
H |
10 |
4 |
12399 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
3 |
12191 |
78.6 |
1.5 |
0.631 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[GOL]C:304 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
12295 |
76.0 |
-0.1 |
0.520 |
1 |
0 |
0 |
0.026 |
| 35 |
41 |
|
[EDO]D:301 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
12238 |
74.4 |
1.9 |
0.274 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[EDO]A:303 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12393 |
68.6 |
1.7 |
0.243 |
1 |
0 |
0 |
0.000 |
| 37 |
43 |
|
H |
9 |
5 |
12399 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
11 |
6 |
11962 |
64.5 |
0.6 |
0.678 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
F |
11 |
5 |
11962 |
f |
[EDO]G:303 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
183 |
62.0 |
1.5 |
0.708 |
1 |
0 |
0 |
0.000 |
| 39 |
45 |
|
C |
6 |
2 |
12295 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
12193 |
61.0 |
0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
| 40 |
46 |
|
C |
7 |
4 |
12295 |
◊ |
F |
x-1,y,z-1 |
1_454 |
8 |
2 |
11962 |
57.3 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[EDO]G:304 |
3 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
12191 |
55.8 |
1.5 |
0.282 |
0 |
0 |
0 |
0.000 |
| 42 |
48 |
|
[EDO]G:303 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
12191 |
55.5 |
2.0 |
0.952 |
2 |
0 |
0 |
0.000 |
| 43 |
49 |
|
[ACT]F:303 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
12193 |
53.2 |
-0.6 |
0.328 |
0 |
0 |
0 |
0.030 |
| 44 |
50 |
|
C |
10 |
8 |
12295 |
◊ |
H |
x-1,y,z-1 |
1_454 |
12 |
6 |
12399 |
51.6 |
1.7 |
0.732 |
0 |
0 |
0 |
0.000 |
| 45 |
51 |
|
F |
8 |
2 |
11962 |
f |
[EDO]G:304 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
183 |
49.8 |
0.9 |
0.579 |
0 |
0 |
0 |
0.000 |
| 46 |
52 |
|
F |
3 |
2 |
11962 |
f |
[PGE]H:302 |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
323 |
42.0 |
2.0 |
0.347 |
0 |
0 |
0 |
0.000 |
| 47 |
53 |
|
E |
2 |
1 |
12193 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
12393 |
37.5 |
0.6 |
0.681 |
0 |
0 |
0 |
0.000 |
| 48 |
54 |
|
[EDO]D:301 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
12393 |
36.7 |
0.7 |
0.623 |
0 |
0 |
0 |
0.000 |
| 49 |
55 |
|
B |
4 |
2 |
12186 |
f |
[EDO]A:303 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
183 |
25.9 |
0.4 |
0.791 |
1 |
0 |
0 |
0.000 |
| 50 |
56 |
|
E |
3 |
1 |
12193 |
f |
[PGE]C:303 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
324 |
25.3 |
1.0 |
0.326 |
0 |
0 |
0 |
0.000 |
| 51 |
57 |
|
[ACT]A:304 |
1 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12295 |
15.9 |
0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| 52 |
58 |
|
H |
2 |
1 |
12399 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
12393 |
15.1 |
-0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
| 53 |
59 |
|
D |
2 |
1 |
12238 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
12186 |
13.3 |
0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
| 54 |
60 |
|
C |
2 |
1 |
12295 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
12393 |
12.9 |
0.7 |
0.882 |
0 |
0 |
0 |
0.000 |
| 55 |
61 |
|
C |
2 |
1 |
12295 |
◊ |
H |
x,y,z-1 |
1_554 |
3 |
2 |
12399 |
8.8 |
0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
| 56 |
62 |
|
[PGE]B:303 |
1 |
1 |
328 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
12238 |
1.5 |
-0.0 |
0.318 |
0 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[PGE]E:302 |
1 |
1 |
330 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
11962 |
1.1 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
D |
1 |
1 |
12238 |
f |
[EDO]A:306 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
182 |
0.6 |
0.0 |
0.836 |
0 |
0 |
0 |
0.000 |
| 59 |
65 |
|
F |
1 |
1 |
11962 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
12399 |
0.6 |
0.0 |
0.703 |
0 |
0 |
0 |
0.000 |
|