## |
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 |
278 |
74 |
13200 |
◊ |
A |
x,y,z |
1_555 |
303 |
88 |
25122 |
2824.4 |
-22.5 |
0.122 |
37 |
12 |
0 |
0.299 |
2 |
|
E |
277 |
74 |
13197 |
◊ |
D |
x,y,z |
1_555 |
299 |
87 |
25122 |
2822.0 |
-21.8 |
0.131 |
37 |
12 |
0 |
0.299 |
Average: |
2823.2 |
-22.2 |
0.127 |
37 |
12 |
0 |
0.299 |
2 |
3 |
|
F |
214 |
51 |
15690 |
◊ |
C |
x,y,z |
1_555 |
207 |
51 |
15666 |
2015.6 |
-38.0 |
0.251 |
22 |
4 |
0 |
0.301 |
3 |
4 |
|
C |
158 |
36 |
15666 |
◊ |
B |
x,y,z |
1_555 |
154 |
42 |
13200 |
1576.7 |
-9.5 |
0.461 |
24 |
13 |
0 |
0.129 |
5 |
|
F |
160 |
37 |
15690 |
◊ |
E |
x,y,z |
1_555 |
156 |
42 |
13197 |
1573.8 |
-9.7 |
0.448 |
24 |
13 |
0 |
0.129 |
Average: |
1575.2 |
-9.6 |
0.455 |
24 |
13 |
0 |
0.129 |
4 |
6 |
|
[FAD]A:1656 |
53 |
1 |
1021 |
cf |
A |
x,y,z |
1_555 |
100 |
42 |
25122 |
739.6 |
-9.4 |
0.346 |
26 |
0 |
0 |
0.154 |
7 |
|
[FAD]D:1656 |
53 |
1 |
1018 |
cf |
D |
x,y,z |
1_555 |
102 |
45 |
25122 |
737.0 |
-9.3 |
0.349 |
26 |
0 |
0 |
0.154 |
Average: |
738.3 |
-9.3 |
0.348 |
26 |
0 |
0 |
0.154 |
5 |
8 |
|
D |
74 |
19 |
25122 |
◊ |
A |
x,y,z |
1_555 |
74 |
19 |
25122 |
688.5 |
-2.0 |
0.517 |
18 |
8 |
0 |
0.022 |
6 |
9 |
|
[HEM]C:1256 |
43 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
86 |
30 |
15666 |
618.0 |
-26.0 |
0.483 |
4 |
0 |
0 |
0.355 |
10 |
|
[HEM]F:1256 |
43 |
1 |
827 |
f |
F |
x,y,z |
1_555 |
84 |
29 |
15690 |
616.3 |
-27.6 |
0.340 |
4 |
0 |
0 |
0.355 |
Average: |
617.2 |
-26.8 |
0.411 |
4 |
0 |
0 |
0.355 |
7 |
11 |
|
[HEM]C:1255 |
43 |
1 |
810 |
f |
C |
x,y,z |
1_555 |
88 |
29 |
15666 |
577.1 |
-22.3 |
0.626 |
6 |
0 |
0 |
0.311 |
12 |
|
[HEM]F:1255 |
43 |
1 |
814 |
f |
F |
x,y,z |
1_555 |
86 |
29 |
15690 |
576.9 |
-22.3 |
0.628 |
6 |
0 |
0 |
0.311 |
Average: |
577.0 |
-22.3 |
0.627 |
6 |
0 |
0 |
0.311 |
8 |
13 |
|
C |
60 |
13 |
15666 |
◊ |
E |
x,y,z |
1_555 |
53 |
17 |
13197 |
545.4 |
-6.0 |
0.368 |
4 |
0 |
0 |
0.045 |
14 |
|
F |
57 |
13 |
15690 |
◊ |
B |
x,y,z |
1_555 |
54 |
17 |
13200 |
537.0 |
-6.0 |
0.368 |
4 |
0 |
0 |
0.045 |
Average: |
541.2 |
-6.0 |
0.368 |
4 |
0 |
0 |
0.045 |
9 |
15 |
|
[LMT]F:1257 |
24 |
1 |
774 |
◊ |
F |
x,y,z |
1_555 |
54 |
12 |
15690 |
314.6 |
-0.4 |
0.706 |
0 |
0 |
0 |
0.006 |
16 |
|
[LMT]C:1257 |
24 |
1 |
774 |
◊ |
C |
x,y,z |
1_555 |
55 |
12 |
15666 |
312.7 |
-0.5 |
0.716 |
0 |
0 |
0 |
0.006 |
Average: |
313.7 |
-0.5 |
0.711 |
0 |
0 |
0 |
0.006 |
10 |
17 |
|
A |
45 |
10 |
25122 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
29 |
7 |
25122 |
294.9 |
-0.3 |
0.550 |
3 |
2 |
0 |
0.000 |
18 |
|
A |
30 |
7 |
25122 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
42 |
9 |
25122 |
277.4 |
-0.2 |
0.570 |
4 |
2 |
0 |
0.000 |
Average: |
286.2 |
-0.3 |
0.560 |
4 |
2 |
0 |
0.000 |
11 |
19 |
|
F |
34 |
10 |
15690 |
◊ |
D |
x,y,z-1 |
1_554 |
32 |
10 |
25122 |
270.8 |
-1.0 |
0.693 |
3 |
1 |
0 |
0.000 |
12 |
20 |
|
[LMT]F:1257 |
22 |
1 |
774 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
15666 |
222.7 |
-0.7 |
0.200 |
0 |
0 |
0 |
0.008 |
21 |
|
[LMT]C:1257 |
22 |
1 |
774 |
f |
F |
x,y,z |
1_555 |
20 |
6 |
15690 |
217.5 |
-0.6 |
0.187 |
0 |
0 |
0 |
0.008 |
Average: |
220.1 |
-0.7 |
0.193 |
0 |
0 |
0 |
0.008 |
13 |
22 |
|
[CIT]D:1657 |
12 |
1 |
317 |
f |
D |
x,y,z |
1_555 |
34 |
15 |
25122 |
201.7 |
1.5 |
0.515 |
7 |
0 |
0 |
0.012 |
23 |
|
[CIT]A:1657 |
12 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
33 |
15 |
25122 |
200.1 |
1.5 |
0.515 |
7 |
0 |
0 |
0.012 |
Average: |
200.9 |
1.5 |
0.515 |
7 |
0 |
0 |
0.012 |
14 |
24 |
|
[SF4]E:1242 |
8 |
1 |
307 |
f |
E |
x,y,z |
1_555 |
22 |
14 |
13197 |
184.2 |
-21.7 |
0.319 |
0 |
0 |
0 |
0.160 |
25 |
|
[SF4]B:1242 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
23 |
14 |
13200 |
183.5 |
-21.6 |
0.327 |
0 |
0 |
0 |
0.160 |
Average: |
183.9 |
-21.7 |
0.323 |
0 |
0 |
0 |
0.160 |
15 |
26 |
|
[F3S]B:1241 |
7 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
13200 |
182.7 |
-19.3 |
0.363 |
6 |
0 |
0 |
0.161 |
27 |
|
[F3S]E:1241 |
7 |
1 |
303 |
f |
E |
x,y,z |
1_555 |
29 |
13 |
13197 |
182.0 |
-19.1 |
0.411 |
6 |
0 |
0 |
0.161 |
Average: |
182.3 |
-19.2 |
0.387 |
6 |
0 |
0 |
0.161 |
16 |
28 |
|
[FES]E:1240 |
4 |
1 |
235 |
f |
E |
x,y,z |
1_555 |
13 |
11 |
13197 |
122.4 |
-16.4 |
0.623 |
1 |
0 |
0 |
0.124 |
29 |
|
[FES]B:1240 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
13 |
11 |
13200 |
121.8 |
-16.3 |
0.622 |
1 |
0 |
0 |
0.124 |
Average: |
122.1 |
-16.3 |
0.622 |
1 |
0 |
0 |
0.124 |
17 |
30 |
|
B |
11 |
4 |
13200 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
14 |
6 |
25122 |
112.2 |
1.7 |
0.837 |
3 |
4 |
0 |
0.000 |
18 |
31 |
|
D |
10 |
3 |
25122 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
6 |
25122 |
107.6 |
0.0 |
0.618 |
2 |
0 |
0 |
0.000 |
19 |
32 |
|
A |
13 |
6 |
25122 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
13197 |
87.4 |
2.2 |
0.887 |
3 |
5 |
0 |
0.000 |
20 |
33 |
|
[NA]A:1658 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
25122 |
66.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.091 |
34 |
|
[NA]D:1658 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
8 |
25122 |
66.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
66.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.091 |
21 |
35 |
|
[CIT]D:1657 |
7 |
1 |
317 |
f |
[FAD]D:1656 |
x,y,z |
1_555 |
13 |
1 |
1018 |
54.5 |
-0.1 |
0.374 |
0 |
0 |
0 |
0.000 |
36 |
|
[CIT]A:1657 |
7 |
1 |
316 |
f |
[FAD]A:1656 |
x,y,z |
1_555 |
13 |
1 |
1021 |
54.0 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
Average: |
54.3 |
-0.1 |
0.373 |
0 |
0 |
0 |
0.001 |
22 |
37 |
|
[HEM]C:1256 |
3 |
1 |
830 |
f |
[HEM]C:1255 |
x,y,z |
1_555 |
2 |
1 |
810 |
41.3 |
-1.3 |
0.563 |
0 |
0 |
0 |
0.016 |
38 |
|
[HEM]F:1256 |
5 |
1 |
827 |
f |
[HEM]F:1255 |
x,y,z |
1_555 |
2 |
1 |
814 |
41.2 |
-1.3 |
0.649 |
0 |
0 |
0 |
0.016 |
Average: |
41.2 |
-1.3 |
0.606 |
0 |
0 |
0 |
0.016 |
23 |
39 |
|
[HEM]F:1255 |
3 |
1 |
814 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
13197 |
27.8 |
-2.0 |
0.268 |
0 |
0 |
0 |
0.011 |
40 |
|
[HEM]C:1255 |
3 |
1 |
810 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
13200 |
26.9 |
-1.9 |
0.276 |
0 |
0 |
0 |
0.011 |
Average: |
27.3 |
-2.0 |
0.272 |
0 |
0 |
0 |
0.011 |
24 |
41 |
|
E |
2 |
2 |
13197 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
13200 |
14.1 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[HEM]C:1255 |
1 |
1 |
810 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
15690 |
6.5 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.003 |
43 |
|
[HEM]F:1255 |
1 |
1 |
814 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15666 |
6.3 |
-0.2 |
0.559 |
0 |
0 |
0 |
0.003 |
Average: |
6.4 |
-0.2 |
0.556 |
0 |
0 |
0 |
0.003 |
26 |
44 |
|
[FES]B:1240 |
1 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
25122 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
45 |
|
[FES]E:1240 |
1 |
1 |
235 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
25122 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|