| ## |
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 |
|
F |
356 |
94 |
28111 |
◊ |
E |
x,y,z |
1_555 |
354 |
92 |
20055 |
3493.5 |
-25.0 |
0.159 |
47 |
36 |
0 |
0.380 |
2 |
|
B |
356 |
96 |
28061 |
◊ |
A |
x,y,z |
1_555 |
354 |
92 |
20059 |
3482.4 |
-25.8 |
0.138 |
48 |
30 |
0 |
0.380 |
3 |
|
D |
359 |
94 |
28062 |
◊ |
C |
x,y,z |
1_555 |
350 |
92 |
19896 |
3456.4 |
-23.9 |
0.166 |
43 |
34 |
0 |
0.380 |
4 |
|
H |
358 |
94 |
27999 |
◊ |
G |
x,y,z |
1_555 |
361 |
92 |
20113 |
3446.2 |
-23.6 |
0.202 |
44 |
33 |
0 |
0.380 |
| Average: |
3469.6 |
-24.6 |
0.166 |
46 |
33 |
0 |
0.380 |
| 2 |
5 |
|
D |
235 |
66 |
28062 |
◊ |
B |
x,y,z |
1_555 |
232 |
65 |
28061 |
2244.7 |
-9.3 |
0.491 |
37 |
13 |
0 |
0.331 |
6 |
|
H |
237 |
66 |
27999 |
◊ |
F |
x,y,z |
1_555 |
231 |
65 |
28111 |
2228.0 |
-8.6 |
0.536 |
37 |
13 |
0 |
0.331 |
| Average: |
2236.4 |
-8.9 |
0.514 |
37 |
13 |
0 |
0.331 |
| 3 |
7 |
|
[FAD]G:1465 |
52 |
1 |
972 |
f |
G |
x,y,z |
1_555 |
97 |
40 |
20113 |
692.2 |
-9.1 |
0.496 |
24 |
0 |
0 |
0.146 |
8 |
|
[FAD]A:1465 |
52 |
1 |
974 |
f |
A |
x,y,z |
1_555 |
99 |
38 |
20059 |
691.5 |
-8.1 |
0.511 |
25 |
0 |
0 |
0.146 |
9 |
|
[FAD]E:1465 |
52 |
1 |
977 |
f |
E |
x,y,z |
1_555 |
97 |
38 |
20055 |
687.3 |
-8.0 |
0.501 |
25 |
0 |
0 |
0.146 |
10 |
|
[FAD]C:1465 |
52 |
1 |
971 |
f |
C |
x,y,z |
1_555 |
102 |
40 |
19896 |
687.2 |
-8.1 |
0.471 |
23 |
0 |
0 |
0.146 |
| Average: |
689.5 |
-8.3 |
0.495 |
24 |
0 |
0 |
0.146 |
| 4 |
11 |
|
D |
57 |
16 |
28062 |
◊ |
H |
x,y-1,z |
1_545 |
58 |
21 |
27999 |
483.8 |
-0.1 |
0.640 |
4 |
7 |
0 |
0.000 |
12 |
|
F |
54 |
14 |
28111 |
◊ |
B |
x,y,z |
1_555 |
57 |
21 |
28061 |
471.7 |
-0.4 |
0.584 |
3 |
6 |
0 |
0.000 |
| Average: |
477.7 |
-0.2 |
0.612 |
4 |
7 |
0 |
0.000 |
| 5 |
13 |
|
D |
48 |
15 |
28062 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
47 |
15 |
28111 |
448.2 |
-2.2 |
0.481 |
5 |
7 |
0 |
0.000 |
| 6 |
14 |
|
[MPN]B:1778 |
24 |
1 |
517 |
f |
B |
x,y,z |
1_555 |
59 |
18 |
28061 |
304.7 |
-8.0 |
0.424 |
8 |
0 |
0 |
0.315 |
15 |
|
[MPN]H:1778 |
24 |
1 |
525 |
f |
H |
x,y,z |
1_555 |
61 |
20 |
27999 |
303.9 |
-8.5 |
0.384 |
11 |
0 |
0 |
0.315 |
16 |
|
[MPN]D:1778 |
24 |
1 |
525 |
f |
D |
x,y,z |
1_555 |
58 |
19 |
28062 |
303.6 |
-8.2 |
0.405 |
10 |
0 |
0 |
0.315 |
17 |
|
[MPN]F:1778 |
24 |
1 |
519 |
f |
F |
x,y,z |
1_555 |
60 |
19 |
28111 |
297.2 |
-8.3 |
0.397 |
11 |
0 |
0 |
0.315 |
| Average: |
302.4 |
-8.2 |
0.403 |
10 |
0 |
0 |
0.315 |
| 7 |
18 |
|
C |
30 |
6 |
19896 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
10 |
28061 |
262.4 |
0.7 |
0.727 |
6 |
2 |
0 |
0.000 |
| 8 |
19 |
|
D |
28 |
8 |
28062 |
◊ |
G |
x,y-1,z |
1_545 |
19 |
8 |
20113 |
214.6 |
-0.9 |
0.257 |
2 |
0 |
0 |
0.000 |
20 |
|
F |
30 |
8 |
28111 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
20059 |
214.2 |
-1.5 |
0.231 |
2 |
0 |
0 |
0.000 |
| Average: |
214.4 |
-1.2 |
0.244 |
2 |
0 |
0 |
0.000 |
| 9 |
21 |
|
G |
26 |
8 |
20113 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
6 |
20055 |
204.5 |
-0.2 |
0.639 |
3 |
2 |
0 |
0.000 |
| 10 |
22 |
|
D |
21 |
9 |
28062 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
24 |
7 |
20055 |
183.3 |
-1.9 |
0.367 |
1 |
0 |
0 |
0.000 |
23 |
|
C |
21 |
5 |
19896 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
19 |
7 |
28111 |
179.9 |
-1.8 |
0.352 |
1 |
0 |
0 |
0.000 |
| Average: |
181.6 |
-1.8 |
0.360 |
1 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[HPA]F:1780 |
10 |
1 |
266 |
f |
F |
x,y,z |
1_555 |
30 |
12 |
28111 |
167.4 |
5.0 |
0.595 |
3 |
0 |
0 |
0.000 |
25 |
|
[HPA]B:1780 |
10 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
28061 |
164.9 |
3.7 |
0.455 |
1 |
0 |
0 |
0.000 |
26 |
|
[HPA]H:1780 |
10 |
1 |
267 |
f |
H |
x,y,z |
1_555 |
32 |
13 |
27999 |
161.0 |
4.9 |
0.625 |
1 |
0 |
0 |
0.000 |
| Average: |
164.4 |
4.5 |
0.558 |
2 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[HPA]D:1780 |
10 |
1 |
266 |
f |
D |
x,y,z |
1_555 |
28 |
12 |
28062 |
166.1 |
4.9 |
0.570 |
5 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[FES]G:1464 |
4 |
1 |
236 |
f |
G |
x,y,z |
1_555 |
18 |
12 |
20113 |
130.5 |
-17.3 |
0.390 |
1 |
0 |
0 |
0.131 |
| 14 |
29 |
|
[FES]A:1464 |
4 |
1 |
236 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
20059 |
128.4 |
-17.2 |
0.585 |
2 |
0 |
0 |
0.133 |
30 |
|
[FES]E:1464 |
4 |
1 |
235 |
f |
E |
x,y,z |
1_555 |
16 |
12 |
20055 |
127.8 |
-17.0 |
0.569 |
2 |
0 |
0 |
0.133 |
31 |
|
[FES]C:1464 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
15 |
11 |
19896 |
126.0 |
-16.9 |
0.375 |
1 |
0 |
0 |
0.133 |
| Average: |
127.4 |
-17.1 |
0.510 |
2 |
0 |
0 |
0.133 |
| 15 |
32 |
|
[FES]E:1463 |
4 |
1 |
235 |
f |
E |
x,y,z |
1_555 |
17 |
11 |
20055 |
107.1 |
-13.3 |
0.467 |
2 |
0 |
0 |
0.104 |
| 16 |
33 |
|
[FES]C:1463 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
17 |
11 |
19896 |
105.4 |
-13.5 |
0.475 |
1 |
0 |
0 |
0.105 |
34 |
|
[FES]A:1463 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
20059 |
104.3 |
-13.1 |
0.421 |
1 |
0 |
0 |
0.105 |
| Average: |
104.9 |
-13.3 |
0.448 |
1 |
0 |
0 |
0.105 |
| 17 |
35 |
|
[FES]G:1463 |
4 |
1 |
235 |
f |
G |
x,y,z |
1_555 |
19 |
13 |
20113 |
104.3 |
-13.1 |
0.480 |
2 |
0 |
0 |
0.104 |
| 18 |
36 |
|
H |
19 |
8 |
27999 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
7 |
20055 |
103.0 |
-1.3 |
0.303 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[MOM]F:1781 |
4 |
1 |
196 |
f |
F |
x,y,z |
1_555 |
26 |
14 |
28111 |
88.4 |
-1.9 |
0.607 |
1 |
0 |
0 |
0.061 |
38 |
|
[MOM]D:1781 |
4 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
28062 |
86.6 |
-1.8 |
0.598 |
1 |
0 |
0 |
0.061 |
39 |
|
[MOM]B:1781 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
28061 |
86.4 |
-1.8 |
0.602 |
1 |
0 |
0 |
0.061 |
40 |
|
[MOM]H:1781 |
4 |
1 |
197 |
f |
H |
x,y,z |
1_555 |
26 |
14 |
27999 |
86.3 |
-1.9 |
0.569 |
2 |
0 |
0 |
0.061 |
| Average: |
86.9 |
-1.9 |
0.594 |
1 |
0 |
0 |
0.061 |
| 20 |
41 |
|
[FES]A:1463 |
3 |
1 |
235 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
28061 |
54.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.034 |
42 |
|
[FES]C:1463 |
3 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
28062 |
49.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
52.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.034 |
| 21 |
43 |
|
[FES]E:1463 |
3 |
1 |
235 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
28111 |
53.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.034 |
| 22 |
44 |
|
[FES]G:1463 |
3 |
1 |
235 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
27999 |
53.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 23 |
45 |
|
[MPN]F:1778 |
4 |
1 |
519 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
20055 |
50.6 |
0.3 |
0.553 |
1 |
0 |
0 |
0.006 |
46 |
|
[MPN]D:1778 |
4 |
1 |
525 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
19896 |
50.2 |
0.2 |
0.521 |
1 |
0 |
0 |
0.006 |
47 |
|
[MPN]H:1778 |
4 |
1 |
525 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
20113 |
50.0 |
0.1 |
0.449 |
2 |
0 |
0 |
0.006 |
48 |
|
[MPN]B:1778 |
4 |
1 |
517 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
20059 |
47.5 |
0.1 |
0.484 |
1 |
0 |
0 |
0.006 |
| Average: |
49.5 |
0.2 |
0.502 |
1 |
0 |
0 |
0.006 |
| 24 |
49 |
|
[MOM]F:1781 |
4 |
1 |
196 |
f |
[MPN]F:1778 |
x,y,z |
1_555 |
2 |
1 |
519 |
49.7 |
-4.3 |
0.290 |
0 |
0 |
0 |
0.102 |
50 |
|
[MOM]D:1781 |
4 |
1 |
197 |
f |
[MPN]D:1778 |
x,y,z |
1_555 |
2 |
1 |
525 |
49.7 |
-4.3 |
0.294 |
0 |
0 |
0 |
0.102 |
51 |
|
[MOM]B:1781 |
4 |
1 |
196 |
f |
[MPN]B:1778 |
x,y,z |
1_555 |
2 |
1 |
517 |
49.6 |
-4.3 |
0.294 |
0 |
0 |
0 |
0.102 |
| Average: |
49.7 |
-4.3 |
0.293 |
0 |
0 |
0 |
0.102 |
| 25 |
52 |
|
[MOM]H:1781 |
4 |
1 |
197 |
f |
[MPN]H:1778 |
x,y,z |
1_555 |
2 |
1 |
525 |
48.8 |
-4.2 |
0.251 |
0 |
0 |
0 |
0.050 |
| 26 |
53 |
|
[CA]B:1779 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
28061 |
45.6 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
54 |
|
[CA]F:1779 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
28111 |
45.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.312 |
55 |
|
[CA]H:1779 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
8 |
7 |
27999 |
44.4 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
56 |
|
[CA]D:1779 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
28062 |
43.6 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.312 |
| Average: |
44.8 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.312 |
| 27 |
57 |
|
[MOM]H:1781 |
2 |
1 |
197 |
f |
[HPA]H:1780 |
x,y,z |
1_555 |
3 |
1 |
267 |
21.7 |
0.5 |
0.284 |
0 |
0 |
0 |
0.000 |
58 |
|
[MOM]B:1781 |
2 |
1 |
196 |
f |
[HPA]B:1780 |
x,y,z |
1_555 |
2 |
1 |
266 |
19.8 |
0.5 |
0.520 |
0 |
0 |
0 |
0.000 |
| Average: |
20.7 |
0.5 |
0.402 |
0 |
0 |
0 |
0.000 |
| 28 |
59 |
|
[MOM]D:1781 |
1 |
1 |
197 |
f |
[HPA]D:1780 |
x,y,z |
1_555 |
2 |
1 |
266 |
19.3 |
0.8 |
0.693 |
0 |
0 |
0 |
0.000 |
| 29 |
60 |
|
[MOM]F:1781 |
1 |
1 |
196 |
f |
[HPA]F:1780 |
x,y,z |
1_555 |
2 |
1 |
266 |
18.1 |
0.5 |
0.520 |
0 |
0 |
0 |
0.000 |
| 30 |
61 |
|
[MPN]H:1778 |
2 |
1 |
525 |
◊ |
[FES]G:1463 |
x,y,z |
1_555 |
2 |
1 |
235 |
11.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 31 |
62 |
|
[MPN]B:1778 |
2 |
1 |
517 |
◊ |
[FES]A:1463 |
x,y,z |
1_555 |
1 |
1 |
235 |
9.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
63 |
|
[MPN]D:1778 |
2 |
1 |
525 |
◊ |
[FES]C:1463 |
x,y,z |
1_555 |
1 |
1 |
235 |
9.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
9.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 32 |
64 |
|
[MPN]F:1778 |
2 |
1 |
519 |
◊ |
[FES]E:1463 |
x,y,z |
1_555 |
2 |
1 |
235 |
8.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 33 |
65 |
|
[FES]C:1464 |
1 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
28062 |
6.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
66 |
|
[FES]E:1464 |
1 |
1 |
235 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
28111 |
3.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 34 |
67 |
|
[FAD]G:1465 |
3 |
1 |
972 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
27999 |
5.7 |
-0.1 |
0.376 |
0 |
0 |
0 |
0.001 |
68 |
|
[FAD]E:1465 |
1 |
1 |
977 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
28111 |
2.7 |
-0.1 |
0.381 |
0 |
0 |
0 |
0.001 |
| Average: |
4.2 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.001 |
| 35 |
69 |
|
[FES]G:1464 |
1 |
1 |
236 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
27999 |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 36 |
70 |
|
[FES]A:1464 |
1 |
1 |
236 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
28061 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 37 |
71 |
|
[HPA]H:1780 |
1 |
1 |
267 |
f |
[MPN]H:1778 |
x,y,z |
1_555 |
1 |
1 |
525 |
1.2 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
|