| ## |
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 |
267 |
73 |
45650 |
◊ |
A |
x,y,z |
1_555 |
265 |
77 |
45735 |
2598.8 |
-23.5 |
0.064 |
46 |
17 |
0 |
0.223 |
2 |
|
D |
261 |
73 |
45449 |
◊ |
C |
x,y,z |
1_555 |
259 |
74 |
46004 |
2569.4 |
-24.1 |
0.049 |
45 |
16 |
0 |
0.223 |
| Average: |
2584.1 |
-23.8 |
0.057 |
46 |
17 |
0 |
0.223 |
| 2 |
3 |
|
A |
159 |
48 |
45735 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
162 |
48 |
45650 |
1554.7 |
4.3 |
0.920 |
17 |
9 |
0 |
0.000 |
4 |
|
D |
158 |
48 |
45449 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
157 |
49 |
46004 |
1460.7 |
0.1 |
0.791 |
10 |
8 |
0 |
0.000 |
| Average: |
1507.7 |
2.2 |
0.855 |
14 |
9 |
0 |
0.000 |
| 3 |
5 |
|
[FAD]A:2003 |
50 |
1 |
1016 |
f |
A |
x,y,z |
1_555 |
106 |
43 |
45735 |
725.1 |
-10.9 |
0.365 |
22 |
0 |
0 |
0.194 |
6 |
|
[FAD]D:5003 |
51 |
1 |
1016 |
f |
D |
x,y,z |
1_555 |
104 |
42 |
45449 |
720.7 |
-10.5 |
0.387 |
21 |
0 |
0 |
0.194 |
7 |
|
[FAD]B:3003 |
52 |
1 |
1018 |
f |
B |
x,y,z |
1_555 |
107 |
43 |
45650 |
720.6 |
-10.5 |
0.395 |
21 |
0 |
0 |
0.194 |
8 |
|
[FAD]C:4003 |
50 |
1 |
1017 |
f |
C |
x,y,z |
1_555 |
105 |
41 |
46004 |
720.6 |
-10.9 |
0.370 |
22 |
0 |
0 |
0.194 |
| Average: |
721.7 |
-10.7 |
0.379 |
22 |
0 |
0 |
0.194 |
| 4 |
9 |
|
D |
70 |
22 |
45449 |
◊ |
C |
x-1,y,z |
1_455 |
69 |
22 |
46004 |
613.5 |
-3.0 |
0.481 |
4 |
0 |
0 |
0.000 |
10 |
|
A |
67 |
21 |
45735 |
◊ |
B |
x-1,y,z |
1_455 |
73 |
24 |
45650 |
598.1 |
-2.3 |
0.535 |
5 |
0 |
0 |
0.000 |
| Average: |
605.8 |
-2.7 |
0.508 |
5 |
0 |
0 |
0.000 |
| 5 |
11 |
|
D |
42 |
11 |
45449 |
◊ |
B |
x-1,y,z |
1_455 |
35 |
13 |
45650 |
332.4 |
0.2 |
0.693 |
3 |
1 |
0 |
0.000 |
12 |
|
D |
20 |
7 |
45449 |
◊ |
B |
x-1,y,z-1 |
1_454 |
17 |
5 |
45650 |
179.7 |
-0.8 |
0.454 |
1 |
0 |
0 |
0.000 |
| Average: |
256.0 |
-0.3 |
0.574 |
2 |
1 |
0 |
0.000 |
| 6 |
13 |
|
[MTE]B:3004 |
24 |
1 |
536 |
f |
B |
x,y,z |
1_555 |
64 |
23 |
45650 |
330.8 |
-7.3 |
0.549 |
9 |
0 |
0 |
0.117 |
14 |
|
[MTE]C:4004 |
23 |
1 |
533 |
f |
C |
x,y,z |
1_555 |
63 |
23 |
46004 |
329.2 |
-8.4 |
0.428 |
10 |
0 |
0 |
0.117 |
15 |
|
[MTE]D:5004 |
23 |
1 |
535 |
f |
D |
x,y,z |
1_555 |
62 |
22 |
45449 |
328.0 |
-8.3 |
0.417 |
10 |
0 |
0 |
0.117 |
16 |
|
[MTE]A:2004 |
24 |
1 |
531 |
f |
A |
x,y,z |
1_555 |
59 |
21 |
45735 |
327.1 |
-8.2 |
0.429 |
11 |
0 |
0 |
0.117 |
| Average: |
328.8 |
-8.1 |
0.456 |
10 |
0 |
0 |
0.117 |
| 7 |
17 |
|
C |
22 |
6 |
46004 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
45735 |
222.1 |
-1.0 |
0.505 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
19 |
6 |
46004 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
6 |
45735 |
149.8 |
0.1 |
0.557 |
1 |
0 |
0 |
0.000 |
| Average: |
185.9 |
-0.5 |
0.531 |
1 |
0 |
0 |
0.000 |
| 8 |
19 |
|
[SAL]C:4006 |
10 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
31 |
14 |
46004 |
187.1 |
2.6 |
0.329 |
5 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[SAL]A:2006 |
10 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
45735 |
185.2 |
3.6 |
0.471 |
8 |
0 |
0 |
0.000 |
21 |
|
[SAL]D:5006 |
10 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
33 |
14 |
45449 |
185.1 |
2.6 |
0.344 |
5 |
0 |
0 |
0.000 |
22 |
|
[SAL]B:3006 |
10 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
33 |
14 |
45650 |
182.6 |
2.6 |
0.349 |
6 |
0 |
0 |
0.000 |
| Average: |
184.3 |
2.9 |
0.388 |
6 |
0 |
0 |
0.000 |
| 10 |
23 |
|
[FES]C:2001 |
4 |
1 |
236 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
46004 |
125.3 |
-16.1 |
0.538 |
2 |
0 |
0 |
0.161 |
24 |
|
[FES]B:2001 |
4 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
45650 |
125.0 |
-16.0 |
0.524 |
2 |
0 |
0 |
0.161 |
25 |
|
[FES]D:2001 |
4 |
1 |
235 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
45449 |
123.9 |
-16.0 |
0.540 |
2 |
0 |
0 |
0.161 |
26 |
|
[FES]A:2001 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
45735 |
123.5 |
-15.9 |
0.549 |
2 |
0 |
0 |
0.161 |
| Average: |
124.4 |
-16.0 |
0.538 |
2 |
0 |
0 |
0.161 |
| 11 |
27 |
|
[FES]C:2002 |
4 |
1 |
235 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
46004 |
124.9 |
-16.6 |
0.598 |
1 |
0 |
0 |
0.167 |
28 |
|
[FES]D:2002 |
4 |
1 |
235 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
45449 |
124.7 |
-16.7 |
0.588 |
3 |
0 |
0 |
0.167 |
29 |
|
[FES]A:2002 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
45735 |
124.3 |
-16.6 |
0.588 |
2 |
0 |
0 |
0.167 |
30 |
|
[FES]B:2002 |
4 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
45650 |
123.3 |
-16.5 |
0.597 |
2 |
0 |
0 |
0.167 |
| Average: |
124.3 |
-16.6 |
0.593 |
2 |
0 |
0 |
0.167 |
| 12 |
31 |
|
[MOM]A:2005 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
45735 |
92.2 |
-1.9 |
0.566 |
2 |
0 |
0 |
0.025 |
32 |
|
[MOM]C:4005 |
4 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
46004 |
91.9 |
-2.0 |
0.574 |
2 |
0 |
0 |
0.025 |
33 |
|
[MOM]D:5005 |
4 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
45449 |
90.8 |
-1.9 |
0.564 |
2 |
0 |
0 |
0.025 |
| Average: |
91.6 |
-1.9 |
0.568 |
2 |
0 |
0 |
0.025 |
| 13 |
34 |
|
[MOM]B:3005 |
4 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
45650 |
92.0 |
-2.0 |
0.556 |
2 |
0 |
0 |
0.014 |
| 14 |
35 |
|
[BCT]D:6004 |
4 |
1 |
164 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
45449 |
88.6 |
2.4 |
0.962 |
6 |
0 |
0 |
0.001 |
| 15 |
36 |
|
[BCT]B:6002 |
4 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
45650 |
88.3 |
2.4 |
0.958 |
6 |
0 |
0 |
0.001 |
| 16 |
37 |
|
[BCT]A:6001 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
45735 |
88.1 |
2.4 |
0.959 |
5 |
0 |
0 |
0.000 |
| 17 |
38 |
|
[BCT]C:6003 |
4 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
46004 |
87.1 |
2.4 |
0.957 |
5 |
0 |
0 |
0.000 |
| 18 |
39 |
|
[MOM]D:5005 |
4 |
1 |
197 |
f |
[MTE]D:5004 |
x,y,z |
1_555 |
4 |
1 |
535 |
53.0 |
-4.3 |
0.426 |
0 |
0 |
0 |
0.038 |
40 |
|
[MOM]C:4005 |
4 |
1 |
197 |
f |
[MTE]C:4004 |
x,y,z |
1_555 |
4 |
1 |
533 |
51.5 |
-4.2 |
0.438 |
0 |
0 |
0 |
0.038 |
41 |
|
[MOM]A:2005 |
3 |
1 |
197 |
f |
[MTE]A:2004 |
x,y,z |
1_555 |
5 |
1 |
531 |
51.0 |
-4.1 |
0.427 |
0 |
0 |
0 |
0.038 |
| Average: |
51.8 |
-4.2 |
0.430 |
0 |
0 |
0 |
0.038 |
| 19 |
42 |
|
[MOM]B:3005 |
4 |
1 |
197 |
f |
[MTE]B:3004 |
x,y,z |
1_555 |
4 |
1 |
536 |
52.7 |
-4.1 |
0.392 |
0 |
0 |
0 |
0.020 |
| 20 |
43 |
|
[CA]D:7008 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
45449 |
45.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.058 |
| 21 |
44 |
|
[CA]D:7007 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
45449 |
43.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.063 |
45 |
|
[CA]B:7003 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
45650 |
43.6 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
43.8 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.063 |
| 22 |
46 |
|
[SAL]D:5006 |
3 |
1 |
276 |
f |
[MOM]D:5005 |
x,y,z |
1_555 |
3 |
1 |
197 |
18.7 |
-0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
47 |
|
[SAL]B:3006 |
3 |
1 |
274 |
f |
[MOM]B:3005 |
x,y,z |
1_555 |
3 |
1 |
197 |
17.8 |
0.2 |
0.414 |
0 |
0 |
0 |
0.000 |
48 |
|
[SAL]A:2006 |
3 |
1 |
276 |
f |
[MOM]A:2005 |
x,y,z |
1_555 |
2 |
1 |
197 |
17.4 |
0.4 |
0.410 |
0 |
0 |
0 |
0.000 |
| Average: |
18.0 |
0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
| 23 |
49 |
|
[SAL]C:4006 |
2 |
1 |
275 |
f |
[MOM]C:4005 |
x,y,z |
1_555 |
2 |
1 |
197 |
18.2 |
-0.3 |
0.436 |
0 |
0 |
0 |
0.001 |
| 24 |
50 |
|
[MTE]A:2004 |
2 |
1 |
531 |
f |
[FES]A:2001 |
x,y,z |
1_555 |
2 |
1 |
235 |
14.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.011 |
51 |
|
[MTE]D:5004 |
2 |
1 |
535 |
f |
[FES]D:2001 |
x,y,z |
1_555 |
2 |
1 |
235 |
14.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
52 |
|
[MTE]B:3004 |
2 |
1 |
536 |
f |
[FES]B:2001 |
x,y,z |
1_555 |
2 |
1 |
234 |
13.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
53 |
|
[MTE]C:4004 |
2 |
1 |
533 |
f |
[FES]C:2001 |
x,y,z |
1_555 |
2 |
1 |
236 |
12.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
13.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 25 |
54 |
|
[SAL]C:4006 |
1 |
1 |
275 |
f |
[MTE]C:4004 |
x,y,z |
1_555 |
1 |
1 |
533 |
1.3 |
-0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
|