| ## |
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 |
252 |
68 |
14050 |
◊ |
A |
x,y,z |
1_555 |
279 |
79 |
23621 |
2586.7 |
-14.8 |
0.332 |
34 |
9 |
0 |
0.296 |
2 |
|
F |
248 |
70 |
13957 |
◊ |
E |
x,y,z |
1_555 |
280 |
77 |
23682 |
2579.3 |
-11.1 |
0.491 |
38 |
10 |
0 |
0.296 |
| Average: |
2583.0 |
-12.9 |
0.412 |
36 |
10 |
0 |
0.296 |
| 2 |
3 |
|
C |
182 |
38 |
12767 |
◊ |
B |
x,y,z |
1_555 |
213 |
53 |
14050 |
1837.0 |
-29.4 |
0.238 |
18 |
3 |
0 |
0.326 |
4 |
|
G |
181 |
41 |
12423 |
◊ |
F |
x,y,z |
1_555 |
196 |
53 |
13957 |
1800.6 |
-29.7 |
0.145 |
13 |
3 |
0 |
0.326 |
| Average: |
1818.8 |
-29.6 |
0.191 |
16 |
3 |
0 |
0.326 |
| 3 |
5 |
|
D |
189 |
46 |
10649 |
◊ |
C |
x,y,z |
1_555 |
186 |
51 |
12767 |
1696.1 |
-34.7 |
0.790 |
10 |
3 |
0 |
0.583 |
6 |
|
H |
180 |
45 |
10584 |
◊ |
G |
x,y,z |
1_555 |
169 |
48 |
12423 |
1666.1 |
-29.9 |
0.797 |
6 |
5 |
0 |
0.583 |
| Average: |
1681.1 |
-32.3 |
0.793 |
8 |
4 |
0 |
0.583 |
| 4 |
7 |
|
H |
105 |
28 |
10584 |
◊ |
D |
x-1,y,z |
1_455 |
100 |
28 |
10649 |
1031.0 |
-19.8 |
0.634 |
6 |
3 |
0 |
1.000 |
| 5 |
8 |
|
D |
95 |
23 |
10649 |
◊ |
B |
x,y,z |
1_555 |
104 |
29 |
14050 |
833.8 |
-6.3 |
0.775 |
12 |
4 |
0 |
0.135 |
9 |
|
H |
96 |
25 |
10584 |
◊ |
F |
x,y,z |
1_555 |
96 |
28 |
13957 |
808.0 |
-4.6 |
0.755 |
9 |
4 |
0 |
0.135 |
| Average: |
820.9 |
-5.4 |
0.765 |
11 |
4 |
0 |
0.135 |
| 6 |
10 |
|
[FAD]E:702 |
53 |
1 |
996 |
cf |
E |
x,y,z |
1_555 |
106 |
44 |
23682 |
704.4 |
-7.3 |
0.553 |
29 |
0 |
0 |
0.195 |
11 |
|
[FAD]A:702 |
53 |
1 |
991 |
cf |
A |
x,y,z |
1_555 |
106 |
41 |
23621 |
686.4 |
-7.3 |
0.575 |
25 |
0 |
0 |
0.195 |
| Average: |
695.4 |
-7.3 |
0.564 |
27 |
0 |
0 |
0.195 |
| 7 |
12 |
|
D |
49 |
15 |
10649 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
23621 |
587.7 |
-4.4 |
0.727 |
6 |
3 |
0 |
0.062 |
13 |
|
H |
45 |
15 |
10584 |
◊ |
E |
x,y,z |
1_555 |
67 |
22 |
23682 |
570.4 |
-4.7 |
0.638 |
6 |
0 |
0 |
0.062 |
| Average: |
579.1 |
-4.6 |
0.682 |
6 |
2 |
0 |
0.062 |
| 8 |
14 |
|
[EPH]H:201 |
38 |
1 |
1179 |
◊ |
H |
x,y,z |
1_555 |
62 |
14 |
10584 |
484.2 |
-1.2 |
0.713 |
1 |
0 |
0 |
0.026 |
15 |
|
[EPH]D:201 |
37 |
1 |
1174 |
◊ |
D |
x,y,z |
1_555 |
62 |
14 |
10649 |
481.4 |
-0.8 |
0.731 |
2 |
0 |
0 |
0.026 |
| Average: |
482.8 |
-1.0 |
0.722 |
2 |
0 |
0 |
0.026 |
| 9 |
16 |
|
[EPH]H:201 |
27 |
1 |
1179 |
f |
G |
x,y,z |
1_555 |
46 |
17 |
12423 |
437.7 |
-4.9 |
0.451 |
0 |
0 |
0 |
0.079 |
17 |
|
[EPH]D:201 |
29 |
1 |
1174 |
f |
C |
x,y,z |
1_555 |
43 |
16 |
12767 |
401.0 |
-3.9 |
0.471 |
0 |
0 |
0 |
0.079 |
| Average: |
419.3 |
-4.4 |
0.461 |
0 |
0 |
0 |
0.079 |
| 10 |
18 |
|
[HEM]C:201 |
42 |
1 |
795 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
12767 |
343.2 |
-13.1 |
0.771 |
1 |
0 |
0 |
0.211 |
19 |
|
[HEM]G:201 |
40 |
1 |
796 |
f |
G |
x,y,z |
1_555 |
43 |
15 |
12423 |
335.3 |
-12.6 |
0.787 |
1 |
0 |
0 |
0.211 |
| Average: |
339.2 |
-12.8 |
0.779 |
1 |
0 |
0 |
0.211 |
| 11 |
20 |
|
[HEM]G:201 |
41 |
1 |
796 |
◊ |
H |
x,y,z |
1_555 |
38 |
13 |
10584 |
318.4 |
-8.1 |
0.889 |
1 |
0 |
0 |
0.139 |
21 |
|
[HEM]C:201 |
40 |
1 |
795 |
◊ |
D |
x,y,z |
1_555 |
38 |
14 |
10649 |
317.7 |
-8.6 |
0.862 |
1 |
0 |
0 |
0.139 |
| Average: |
318.0 |
-8.3 |
0.875 |
1 |
0 |
0 |
0.139 |
| 12 |
22 |
|
E |
27 |
9 |
23682 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
38 |
15 |
14050 |
263.6 |
-0.7 |
0.625 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
E |
34 |
9 |
23682 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
23621 |
256.8 |
-0.7 |
0.586 |
1 |
1 |
0 |
0.000 |
| 14 |
24 |
|
F |
30 |
7 |
13957 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
6 |
23621 |
218.8 |
-2.1 |
0.412 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[FTN]C:202 |
18 |
1 |
518 |
◊ |
C |
x,y,z |
1_555 |
31 |
7 |
12767 |
217.2 |
0.3 |
0.501 |
1 |
0 |
0 |
0.005 |
26 |
|
[FTN]F:304 |
20 |
1 |
519 |
◊ |
G |
x,y,z |
1_555 |
29 |
6 |
12423 |
205.6 |
-0.1 |
0.457 |
1 |
0 |
0 |
0.005 |
| Average: |
211.4 |
0.1 |
0.479 |
1 |
0 |
0 |
0.005 |
| 16 |
27 |
|
A |
27 |
8 |
23621 |
◊ |
C |
x-1,y,z |
1_455 |
18 |
5 |
12767 |
196.1 |
-1.9 |
0.623 |
5 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[FTN]F:304 |
20 |
1 |
519 |
f |
F |
x,y,z |
1_555 |
24 |
9 |
13957 |
183.5 |
1.1 |
0.380 |
1 |
0 |
0 |
0.012 |
29 |
|
[FTN]C:202 |
22 |
1 |
518 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
14050 |
179.1 |
0.5 |
0.293 |
4 |
0 |
0 |
0.012 |
| Average: |
181.3 |
0.8 |
0.337 |
3 |
0 |
0 |
0.012 |
| 18 |
30 |
|
[SF4]F:302 |
8 |
1 |
307 |
cf |
F |
x,y,z |
1_555 |
17 |
11 |
13957 |
168.2 |
-19.8 |
0.552 |
0 |
0 |
0 |
0.251 |
31 |
|
[SF4]B:302 |
8 |
1 |
307 |
cf |
B |
x,y,z |
1_555 |
16 |
11 |
14050 |
166.3 |
-19.8 |
0.572 |
0 |
0 |
0 |
0.251 |
| Average: |
167.2 |
-19.8 |
0.562 |
0 |
0 |
0 |
0.251 |
| 19 |
32 |
|
[F3S]B:303 |
7 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
20 |
13 |
14050 |
166.0 |
-18.1 |
0.422 |
5 |
0 |
0 |
0.259 |
33 |
|
[F3S]F:303 |
7 |
1 |
292 |
f |
F |
x,y,z |
1_555 |
17 |
12 |
13957 |
159.9 |
-17.8 |
0.454 |
6 |
0 |
0 |
0.259 |
| Average: |
163.0 |
-18.0 |
0.438 |
6 |
0 |
0 |
0.259 |
| 20 |
34 |
|
E |
19 |
7 |
23682 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
7 |
23621 |
155.8 |
-0.5 |
0.465 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[FES]F:301 |
4 |
1 |
234 |
cf |
F |
x,y,z |
1_555 |
14 |
11 |
13957 |
121.3 |
-16.5 |
0.668 |
1 |
0 |
0 |
0.214 |
36 |
|
[FES]B:301 |
4 |
1 |
233 |
f |
B |
x,y,z |
1_555 |
14 |
11 |
14050 |
121.2 |
-16.4 |
0.669 |
1 |
0 |
0 |
0.214 |
| Average: |
121.3 |
-16.5 |
0.669 |
1 |
0 |
0 |
0.214 |
| 22 |
37 |
|
[FUM]E:701 |
8 |
1 |
246 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
23682 |
119.4 |
4.6 |
0.457 |
7 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[FUM]A:701 |
8 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
23621 |
114.3 |
4.2 |
0.454 |
8 |
0 |
0 |
0.000 |
| 24 |
39 |
|
G |
12 |
3 |
12423 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
4 |
23682 |
90.7 |
-1.6 |
0.316 |
0 |
0 |
0 |
0.000 |
| 25 |
40 |
|
D |
11 |
4 |
10649 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
23682 |
87.4 |
-0.5 |
0.716 |
0 |
0 |
0 |
0.000 |
| 26 |
41 |
|
E |
10 |
2 |
23682 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
2 |
23621 |
82.2 |
-1.0 |
0.369 |
1 |
1 |
0 |
0.000 |
| 27 |
42 |
|
[FTN]C:202 |
11 |
1 |
518 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
10649 |
73.5 |
1.2 |
0.560 |
0 |
0 |
0 |
0.000 |
43 |
|
[FTN]F:304 |
9 |
1 |
519 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
10584 |
67.5 |
1.4 |
0.641 |
3 |
0 |
0 |
0.000 |
| Average: |
70.5 |
1.3 |
0.601 |
2 |
0 |
0 |
0.000 |
| 28 |
44 |
|
[FAD]A:702 |
15 |
1 |
991 |
f |
[FUM]A:701 |
x,y,z |
1_555 |
7 |
1 |
246 |
63.4 |
1.9 |
0.880 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
[FAD]E:702 |
15 |
1 |
996 |
f |
[FUM]E:701 |
x,y,z |
1_555 |
7 |
1 |
246 |
60.1 |
1.6 |
0.856 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
B |
7 |
4 |
14050 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
23621 |
50.1 |
-1.0 |
0.403 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
[HEM]C:201 |
5 |
1 |
795 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14050 |
46.8 |
-1.8 |
0.471 |
1 |
0 |
0 |
0.019 |
48 |
|
[HEM]G:201 |
6 |
1 |
796 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
13957 |
46.7 |
-1.4 |
0.649 |
0 |
0 |
0 |
0.019 |
| Average: |
46.7 |
-1.6 |
0.560 |
1 |
0 |
0 |
0.019 |
| 32 |
49 |
|
F |
7 |
2 |
13957 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
14050 |
44.2 |
1.1 |
0.786 |
1 |
0 |
0 |
0.000 |
| 33 |
50 |
|
G |
5 |
3 |
12423 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
23682 |
43.8 |
1.5 |
0.842 |
1 |
2 |
0 |
0.000 |
51 |
|
C |
4 |
2 |
12767 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
23621 |
41.2 |
1.5 |
0.812 |
1 |
2 |
0 |
0.000 |
| Average: |
42.5 |
1.5 |
0.827 |
1 |
2 |
0 |
0.000 |
| 34 |
52 |
|
[EPH]H:201 |
7 |
1 |
1179 |
f |
[HEM]G:201 |
x,y,z |
1_555 |
2 |
1 |
796 |
34.7 |
-0.4 |
0.470 |
0 |
0 |
0 |
0.007 |
53 |
|
[EPH]D:201 |
5 |
1 |
1174 |
f |
[HEM]C:201 |
x,y,z |
1_555 |
2 |
1 |
795 |
30.8 |
-0.3 |
0.508 |
0 |
0 |
0 |
0.007 |
| Average: |
32.7 |
-0.3 |
0.489 |
0 |
0 |
0 |
0.007 |
| 35 |
54 |
|
B |
4 |
2 |
14050 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
23682 |
31.3 |
1.0 |
0.899 |
1 |
1 |
0 |
0.000 |
| 36 |
55 |
|
[FTN]F:304 |
3 |
1 |
519 |
◊ |
[HEM]G:201 |
x,y,z |
1_555 |
5 |
1 |
796 |
25.0 |
-0.3 |
0.710 |
0 |
0 |
0 |
0.003 |
56 |
|
[FTN]C:202 |
3 |
1 |
518 |
◊ |
[HEM]C:201 |
x,y,z |
1_555 |
5 |
1 |
795 |
22.3 |
-0.2 |
0.690 |
0 |
0 |
0 |
0.003 |
| Average: |
23.7 |
-0.3 |
0.700 |
0 |
0 |
0 |
0.003 |
| 37 |
57 |
|
[FAD]A:702 |
2 |
1 |
991 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14050 |
19.0 |
-0.2 |
0.542 |
0 |
0 |
0 |
0.002 |
58 |
|
[FAD]E:702 |
1 |
1 |
996 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
13957 |
12.9 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.002 |
| Average: |
16.0 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.002 |
| 38 |
59 |
|
B |
2 |
1 |
14050 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
12767 |
9.9 |
0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
| 39 |
60 |
|
[FES]B:301 |
1 |
1 |
233 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23621 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|