## |
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 |
254 |
70 |
13661 |
◊ |
A |
x,y,z |
1_555 |
292 |
79 |
22761 |
2734.7 |
-12.8 |
0.508 |
33 |
12 |
0 |
0.290 |
2 |
|
F |
251 |
64 |
13566 |
◊ |
E |
x,y,z |
1_555 |
290 |
81 |
22642 |
2681.8 |
-13.0 |
0.492 |
37 |
13 |
0 |
0.290 |
Average: |
2708.2 |
-12.9 |
0.500 |
35 |
13 |
0 |
0.290 |
2 |
3 |
|
C |
193 |
42 |
12533 |
◊ |
B |
x,y,z |
1_555 |
210 |
57 |
13661 |
1865.1 |
-30.0 |
0.251 |
16 |
3 |
0 |
0.296 |
4 |
|
G |
199 |
41 |
12478 |
◊ |
F |
x,y,z |
1_555 |
205 |
55 |
13566 |
1812.7 |
-30.6 |
0.198 |
16 |
1 |
0 |
0.296 |
Average: |
1838.9 |
-30.3 |
0.224 |
16 |
2 |
0 |
0.296 |
3 |
5 |
|
H |
185 |
48 |
10395 |
◊ |
G |
x,y,z |
1_555 |
170 |
49 |
12478 |
1775.0 |
-33.1 |
0.754 |
11 |
4 |
0 |
0.544 |
6 |
|
D |
191 |
49 |
10469 |
◊ |
C |
x,y,z |
1_555 |
185 |
54 |
12533 |
1749.8 |
-34.5 |
0.775 |
9 |
4 |
0 |
0.544 |
Average: |
1762.4 |
-33.8 |
0.764 |
10 |
4 |
0 |
0.544 |
4 |
7 |
|
D |
99 |
26 |
10469 |
◊ |
H |
x-1,y,z |
1_455 |
104 |
29 |
10395 |
1038.8 |
-20.0 |
0.658 |
7 |
4 |
0 |
1.000 |
5 |
8 |
|
D |
107 |
25 |
10469 |
◊ |
B |
x,y,z |
1_555 |
99 |
29 |
13661 |
843.0 |
-7.3 |
0.814 |
8 |
4 |
0 |
0.089 |
9 |
|
H |
99 |
23 |
10395 |
◊ |
F |
x,y,z |
1_555 |
95 |
28 |
13566 |
821.6 |
-4.6 |
0.837 |
10 |
3 |
0 |
0.089 |
Average: |
832.3 |
-6.0 |
0.825 |
9 |
4 |
0 |
0.089 |
6 |
10 |
|
[FAD]E:702 |
53 |
1 |
994 |
cf |
E |
x,y,z |
1_555 |
103 |
42 |
22642 |
675.6 |
-8.1 |
0.534 |
24 |
0 |
0 |
0.174 |
11 |
|
[FAD]A:702 |
53 |
1 |
990 |
cf |
A |
x,y,z |
1_555 |
107 |
44 |
22761 |
663.9 |
-8.4 |
0.562 |
23 |
0 |
0 |
0.174 |
Average: |
669.8 |
-8.3 |
0.548 |
24 |
0 |
0 |
0.174 |
7 |
12 |
|
D |
54 |
16 |
10469 |
◊ |
A |
x,y,z |
1_555 |
88 |
27 |
22761 |
630.0 |
-7.4 |
0.539 |
4 |
5 |
0 |
0.077 |
13 |
|
H |
52 |
16 |
10395 |
◊ |
E |
x,y,z |
1_555 |
69 |
24 |
22642 |
612.8 |
-4.6 |
0.707 |
5 |
0 |
0 |
0.077 |
Average: |
621.4 |
-6.0 |
0.623 |
5 |
3 |
0 |
0.077 |
8 |
14 |
|
[EPH]D:201 |
38 |
1 |
1190 |
◊ |
D |
x,y,z |
1_555 |
62 |
15 |
10469 |
486.2 |
0.3 |
0.725 |
0 |
0 |
0 |
0.031 |
15 |
|
[EPH]H:201 |
37 |
1 |
1190 |
◊ |
H |
x,y,z |
1_555 |
60 |
15 |
10395 |
459.2 |
-2.3 |
0.608 |
0 |
0 |
0 |
0.031 |
Average: |
472.7 |
-1.0 |
0.667 |
0 |
0 |
0 |
0.031 |
9 |
16 |
|
[EPH]H:201 |
32 |
1 |
1190 |
f |
G |
x,y,z |
1_555 |
47 |
19 |
12478 |
452.0 |
-4.4 |
0.429 |
0 |
0 |
0 |
0.060 |
17 |
|
[EPH]D:201 |
32 |
1 |
1190 |
f |
C |
x,y,z |
1_555 |
49 |
18 |
12533 |
441.6 |
-4.3 |
0.426 |
0 |
0 |
0 |
0.060 |
Average: |
446.8 |
-4.3 |
0.428 |
0 |
0 |
0 |
0.060 |
10 |
18 |
|
[HEM]G:201 |
40 |
1 |
806 |
f |
G |
x,y,z |
1_555 |
45 |
15 |
12478 |
343.5 |
-12.6 |
0.810 |
0 |
0 |
0 |
0.181 |
19 |
|
[HEM]C:201 |
41 |
1 |
794 |
f |
C |
x,y,z |
1_555 |
47 |
16 |
12533 |
337.1 |
-13.0 |
0.826 |
0 |
0 |
0 |
0.181 |
Average: |
340.3 |
-12.8 |
0.818 |
0 |
0 |
0 |
0.181 |
11 |
20 |
|
[HEM]G:201 |
41 |
1 |
806 |
◊ |
H |
x,y,z |
1_555 |
36 |
14 |
10395 |
323.0 |
-7.7 |
0.888 |
0 |
0 |
0 |
0.121 |
21 |
|
[HEM]C:201 |
40 |
1 |
794 |
◊ |
D |
x,y,z |
1_555 |
41 |
14 |
10469 |
318.5 |
-8.7 |
0.877 |
0 |
0 |
0 |
0.121 |
Average: |
320.7 |
-8.2 |
0.882 |
0 |
0 |
0 |
0.121 |
12 |
22 |
|
E |
39 |
11 |
22642 |
◊ |
A |
x,y,z |
1_555 |
35 |
13 |
22761 |
289.6 |
0.3 |
0.673 |
1 |
1 |
0 |
0.000 |
13 |
23 |
|
B |
35 |
12 |
13661 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
13 |
22642 |
288.1 |
-3.0 |
0.325 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
C |
20 |
6 |
12533 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
8 |
22761 |
224.4 |
-0.9 |
0.763 |
5 |
0 |
0 |
0.000 |
15 |
25 |
|
F |
28 |
7 |
13566 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
5 |
22761 |
222.3 |
-1.6 |
0.410 |
1 |
0 |
0 |
0.000 |
16 |
26 |
|
E |
26 |
7 |
22642 |
◊ |
G |
x-1,y,z |
1_455 |
23 |
6 |
12478 |
207.0 |
-2.4 |
0.597 |
1 |
0 |
0 |
0.000 |
17 |
27 |
|
[AT5]G:202 |
18 |
1 |
536 |
f |
G |
x,y,z |
1_555 |
20 |
7 |
12478 |
206.5 |
-5.7 |
0.789 |
4 |
0 |
0 |
0.099 |
18 |
28 |
|
[AT5]C:202 |
19 |
1 |
525 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
12533 |
205.7 |
-4.3 |
0.863 |
2 |
0 |
0 |
0.073 |
19 |
29 |
|
A |
26 |
10 |
22761 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
9 |
22642 |
191.0 |
1.3 |
0.795 |
1 |
1 |
0 |
0.000 |
20 |
30 |
|
[SF4]F:302 |
8 |
1 |
306 |
f |
F |
x,y,z |
1_555 |
24 |
11 |
13566 |
182.0 |
-21.1 |
0.415 |
1 |
0 |
0 |
0.204 |
31 |
|
[SF4]B:302 |
8 |
1 |
308 |
cf |
B |
x,y,z |
1_555 |
19 |
11 |
13661 |
181.0 |
-21.4 |
0.348 |
1 |
0 |
0 |
0.204 |
Average: |
181.5 |
-21.2 |
0.382 |
1 |
0 |
0 |
0.204 |
21 |
32 |
|
[F3S]B:303 |
7 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
13661 |
170.4 |
-18.2 |
0.399 |
6 |
0 |
0 |
0.194 |
22 |
33 |
|
[AT5]G:202 |
14 |
1 |
536 |
◊ |
F |
x,y,z |
1_555 |
22 |
6 |
13566 |
161.3 |
-4.3 |
0.511 |
1 |
0 |
0 |
0.037 |
23 |
34 |
|
[F3S]F:303 |
7 |
1 |
292 |
f |
F |
x,y,z |
1_555 |
21 |
13 |
13566 |
161.0 |
-17.6 |
0.481 |
7 |
0 |
0 |
0.191 |
24 |
35 |
|
[AT5]C:202 |
17 |
1 |
525 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
13661 |
156.3 |
-3.3 |
0.518 |
1 |
0 |
0 |
0.029 |
25 |
36 |
|
[FES]F:301 |
4 |
1 |
233 |
cf |
F |
x,y,z |
1_555 |
14 |
8 |
13566 |
121.5 |
-16.9 |
0.446 |
1 |
0 |
0 |
0.161 |
37 |
|
[FES]B:301 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
13661 |
120.4 |
-16.7 |
0.662 |
1 |
0 |
0 |
0.161 |
Average: |
120.9 |
-16.8 |
0.554 |
1 |
0 |
0 |
0.161 |
26 |
38 |
|
D |
13 |
4 |
10469 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
22642 |
116.8 |
-0.6 |
0.712 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[MLI]E:701 |
7 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
20 |
13 |
22642 |
101.2 |
3.5 |
0.550 |
7 |
0 |
0 |
0.000 |
28 |
40 |
|
[MLI]A:701 |
7 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
20 |
13 |
22761 |
100.3 |
3.3 |
0.558 |
9 |
0 |
0 |
0.006 |
29 |
41 |
|
E |
8 |
2 |
22642 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
3 |
22761 |
91.5 |
-1.3 |
0.280 |
0 |
1 |
0 |
0.000 |
30 |
42 |
|
[AT5]C:202 |
10 |
1 |
525 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
10469 |
86.1 |
-0.9 |
0.834 |
0 |
0 |
0 |
0.012 |
31 |
43 |
|
[AT5]G:202 |
11 |
1 |
536 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
10395 |
82.1 |
-1.3 |
0.818 |
0 |
0 |
0 |
0.017 |
32 |
44 |
|
[FAD]E:702 |
13 |
1 |
994 |
f |
[MLI]E:701 |
x,y,z |
1_555 |
6 |
1 |
221 |
57.4 |
1.6 |
0.869 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[FAD]A:702 |
13 |
1 |
990 |
f |
[MLI]A:701 |
x,y,z |
1_555 |
6 |
1 |
222 |
55.6 |
1.5 |
0.865 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
B |
3 |
1 |
13661 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
2 |
13566 |
51.6 |
0.4 |
0.747 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
H |
5 |
3 |
10395 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22761 |
49.5 |
1.1 |
0.898 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
[HEM]G:201 |
6 |
1 |
806 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
13566 |
49.4 |
-1.8 |
0.561 |
1 |
0 |
0 |
0.017 |
49 |
|
[HEM]C:201 |
7 |
1 |
794 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
13661 |
46.8 |
-1.6 |
0.698 |
1 |
0 |
0 |
0.017 |
Average: |
48.1 |
-1.7 |
0.629 |
1 |
0 |
0 |
0.017 |
37 |
50 |
|
G |
6 |
3 |
12478 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
22642 |
45.6 |
0.4 |
0.808 |
1 |
2 |
0 |
0.002 |
51 |
|
C |
4 |
2 |
12533 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
22761 |
37.9 |
0.3 |
0.816 |
1 |
1 |
0 |
0.002 |
Average: |
41.8 |
0.4 |
0.812 |
1 |
2 |
0 |
0.002 |
38 |
52 |
|
A |
4 |
2 |
22761 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
4 |
13661 |
36.4 |
-0.5 |
0.503 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
[EPH]H:201 |
4 |
1 |
1190 |
f |
[HEM]G:201 |
x,y,z |
1_555 |
3 |
1 |
806 |
32.3 |
-0.2 |
0.621 |
0 |
0 |
0 |
0.003 |
40 |
54 |
|
[EPH]D:201 |
4 |
1 |
1190 |
f |
[HEM]C:201 |
x,y,z |
1_555 |
3 |
1 |
794 |
30.9 |
-0.2 |
0.600 |
0 |
0 |
0 |
0.003 |
41 |
55 |
|
B |
3 |
2 |
13661 |
◊ |
E |
x,y,z |
1_555 |
5 |
4 |
22642 |
24.6 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[FAD]A:702 |
1 |
1 |
990 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13661 |
19.1 |
-0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
57 |
|
[FAD]E:702 |
1 |
1 |
994 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
13566 |
16.8 |
-0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
Average: |
18.0 |
-0.1 |
0.438 |
0 |
0 |
0 |
0.001 |
43 |
58 |
|
[AT5]C:202 |
2 |
1 |
525 |
f |
[HEM]C:201 |
x,y,z |
1_555 |
4 |
1 |
794 |
14.3 |
-0.7 |
0.776 |
0 |
0 |
0 |
0.010 |
44 |
59 |
|
[AT5]G:202 |
2 |
1 |
536 |
f |
[HEM]G:201 |
x,y,z |
1_555 |
2 |
1 |
806 |
13.3 |
-0.7 |
0.571 |
0 |
0 |
0 |
0.009 |
45 |
60 |
|
C |
2 |
1 |
12533 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
10395 |
12.3 |
-0.4 |
0.393 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
[AT5]G:202 |
1 |
1 |
536 |
◊ |
[F3S]F:303 |
x,y,z |
1_555 |
1 |
1 |
292 |
12.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
47 |
62 |
|
[AT5]C:202 |
1 |
1 |
525 |
◊ |
[F3S]B:303 |
x,y,z |
1_555 |
1 |
1 |
293 |
8.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
48 |
63 |
|
D |
1 |
1 |
10469 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
12478 |
2.8 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
[FES]B:301 |
2 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
22761 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
65 |
|
[FES]F:301 |
1 |
1 |
233 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22642 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
|