## |
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 |
|
H |
277 |
83 |
24960 |
◊ |
G |
x,y,z |
1_555 |
274 |
83 |
25184 |
2654.9 |
-29.6 |
0.057 |
40 |
4 |
0 |
0.625 |
2 |
|
B |
272 |
81 |
25262 |
◊ |
A |
x,y,z |
1_555 |
272 |
82 |
25199 |
2634.3 |
-30.4 |
0.044 |
41 |
4 |
0 |
0.625 |
3 |
|
F |
274 |
82 |
25113 |
◊ |
E |
x,y,z |
1_555 |
276 |
81 |
25194 |
2618.5 |
-30.6 |
0.041 |
43 |
4 |
0 |
0.625 |
4 |
|
D |
275 |
82 |
25276 |
◊ |
C |
x,y,z |
1_555 |
271 |
81 |
25252 |
2601.0 |
-30.5 |
0.045 |
40 |
4 |
0 |
0.625 |
Average: |
2627.2 |
-30.3 |
0.047 |
41 |
4 |
0 |
0.625 |
2 |
5 |
|
C |
111 |
33 |
25252 |
◊ |
B |
x,y,z |
1_555 |
113 |
34 |
25262 |
1071.6 |
-14.6 |
0.078 |
9 |
0 |
0 |
0.189 |
6 |
|
H |
111 |
33 |
24960 |
◊ |
E |
x,y,z |
1_555 |
108 |
34 |
25194 |
1057.2 |
-14.6 |
0.071 |
8 |
0 |
0 |
0.189 |
7 |
|
G |
111 |
33 |
25184 |
◊ |
F |
x,y,z |
1_555 |
111 |
34 |
25113 |
1056.5 |
-15.0 |
0.067 |
7 |
0 |
0 |
0.189 |
8 |
|
D |
111 |
32 |
25276 |
◊ |
A |
x,y,z |
1_555 |
114 |
34 |
25199 |
1047.4 |
-14.8 |
0.074 |
7 |
0 |
0 |
0.189 |
Average: |
1058.2 |
-14.7 |
0.072 |
8 |
0 |
0 |
0.189 |
3 |
9 |
|
[FAD]H:801 |
52 |
1 |
1012 |
cf |
H |
x,y,z |
1_555 |
102 |
43 |
24960 |
729.2 |
-10.3 |
0.382 |
13 |
0 |
0 |
0.400 |
10 |
|
[FAD]F:801 |
52 |
1 |
1007 |
cf |
F |
x,y,z |
1_555 |
105 |
45 |
25113 |
729.0 |
-10.2 |
0.382 |
11 |
0 |
0 |
0.400 |
11 |
|
[FAD]A:801 |
52 |
1 |
1009 |
cf |
A |
x,y,z |
1_555 |
104 |
45 |
25199 |
727.2 |
-10.3 |
0.386 |
13 |
0 |
0 |
0.400 |
12 |
|
[FAD]C:801 |
53 |
1 |
1003 |
cf |
C |
x,y,z |
1_555 |
106 |
45 |
25252 |
725.9 |
-10.2 |
0.389 |
12 |
0 |
0 |
0.400 |
13 |
|
[FAD]E:801 |
53 |
1 |
1006 |
cf |
E |
x,y,z |
1_555 |
104 |
45 |
25194 |
725.0 |
-10.1 |
0.396 |
13 |
0 |
0 |
0.400 |
14 |
|
[FAD]G:801 |
53 |
1 |
1003 |
cf |
G |
x,y,z |
1_555 |
101 |
44 |
25184 |
722.6 |
-10.1 |
0.381 |
12 |
0 |
0 |
0.400 |
15 |
|
[FAD]B:801 |
53 |
1 |
1003 |
cf |
B |
x,y,z |
1_555 |
105 |
45 |
25262 |
721.3 |
-10.4 |
0.401 |
12 |
0 |
0 |
0.400 |
16 |
|
[FAD]D:801 |
52 |
1 |
1003 |
cf |
D |
x,y,z |
1_555 |
104 |
44 |
25276 |
720.5 |
-10.2 |
0.392 |
13 |
0 |
0 |
0.400 |
Average: |
725.1 |
-10.2 |
0.388 |
12 |
0 |
0 |
0.400 |
4 |
17 |
|
C |
43 |
14 |
25252 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
25199 |
455.4 |
-10.4 |
0.015 |
0 |
0 |
0 |
0.107 |
18 |
|
H |
43 |
13 |
24960 |
◊ |
F |
x,y,z |
1_555 |
42 |
13 |
25113 |
452.8 |
-10.3 |
0.013 |
0 |
0 |
0 |
0.107 |
19 |
|
D |
40 |
13 |
25276 |
◊ |
B |
x,y,z |
1_555 |
43 |
13 |
25262 |
448.9 |
-10.3 |
0.013 |
0 |
0 |
0 |
0.107 |
20 |
|
G |
43 |
14 |
25184 |
◊ |
E |
x,y,z |
1_555 |
42 |
14 |
25194 |
447.5 |
-10.3 |
0.014 |
0 |
0 |
0 |
0.107 |
Average: |
451.2 |
-10.3 |
0.014 |
0 |
0 |
0 |
0.107 |
5 |
21 |
|
B |
31 |
15 |
25262 |
◊ |
H |
-x+1,y-3/2,-z+1 |
2_636 |
42 |
18 |
24960 |
357.7 |
-2.4 |
0.427 |
0 |
0 |
0 |
0.000 |
22 |
|
D |
32 |
12 |
25276 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
36 |
15 |
25194 |
333.3 |
-1.8 |
0.494 |
1 |
1 |
0 |
0.000 |
Average: |
345.5 |
-2.1 |
0.461 |
1 |
1 |
0 |
0.000 |
6 |
23 |
|
F |
27 |
11 |
25113 |
x |
F |
-x+2,y-1/2,-z |
2_745 |
30 |
10 |
25113 |
282.0 |
0.9 |
0.776 |
2 |
2 |
0 |
0.000 |
7 |
24 |
|
E |
20 |
7 |
25194 |
◊ |
F |
-x+2,y-1/2,-z |
2_745 |
31 |
11 |
25113 |
277.3 |
-1.1 |
0.511 |
2 |
0 |
0 |
0.000 |
8 |
25 |
|
A |
31 |
13 |
25199 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
11 |
25184 |
260.8 |
-1.8 |
0.267 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
30 |
13 |
25262 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
21 |
9 |
25199 |
201.2 |
-1.6 |
0.331 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
32 |
14 |
25276 |
◊ |
E |
-x+1,y-3/2,-z |
2_635 |
21 |
11 |
25194 |
196.0 |
-1.0 |
0.463 |
0 |
0 |
0 |
0.000 |
28 |
|
G |
28 |
11 |
25184 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
24960 |
183.4 |
-1.5 |
0.285 |
0 |
0 |
0 |
0.000 |
Average: |
210.4 |
-1.5 |
0.337 |
0 |
0 |
0 |
0.000 |
9 |
29 |
|
A |
36 |
11 |
25199 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
8 |
24960 |
224.7 |
-1.0 |
0.559 |
2 |
0 |
0 |
0.000 |
30 |
|
A |
3 |
2 |
25199 |
◊ |
H |
-x+1,y-3/2,-z+1 |
2_636 |
2 |
1 |
24960 |
4.5 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
Average: |
114.6 |
-0.4 |
0.638 |
1 |
0 |
0 |
0.000 |
10 |
31 |
|
C |
18 |
10 |
25252 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
14 |
25252 |
201.2 |
-2.5 |
0.226 |
0 |
0 |
0 |
0.000 |
11 |
32 |
|
B |
21 |
8 |
25262 |
◊ |
H |
x-1,y-1,z |
1_445 |
22 |
7 |
24960 |
186.9 |
-2.0 |
0.393 |
1 |
0 |
0 |
0.000 |
12 |
33 |
|
[MES]G:7008 |
12 |
1 |
326 |
◊ |
G |
x,y,z |
1_555 |
30 |
11 |
25184 |
179.2 |
4.9 |
0.459 |
0 |
0 |
0 |
0.000 |
34 |
|
[MES]A:7003 |
11 |
1 |
326 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
25199 |
178.4 |
4.9 |
0.476 |
0 |
0 |
0 |
0.000 |
35 |
|
[MES]H:7002 |
11 |
1 |
324 |
◊ |
H |
x,y,z |
1_555 |
28 |
10 |
24960 |
177.3 |
4.8 |
0.475 |
0 |
0 |
0 |
0.000 |
36 |
|
[MES]B:7006 |
12 |
1 |
325 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
25262 |
175.8 |
4.8 |
0.456 |
0 |
0 |
0 |
0.000 |
Average: |
177.7 |
4.9 |
0.467 |
0 |
0 |
0 |
0.000 |
13 |
37 |
|
[MES]F:7001 |
12 |
1 |
327 |
◊ |
F |
x,y,z |
1_555 |
30 |
11 |
25113 |
178.6 |
5.0 |
0.491 |
0 |
0 |
0 |
0.000 |
38 |
|
[MES]C:7005 |
12 |
1 |
327 |
◊ |
C |
x,y,z |
1_555 |
29 |
10 |
25252 |
177.6 |
4.9 |
0.440 |
0 |
0 |
0 |
0.000 |
39 |
|
[MES]E:7004 |
12 |
1 |
326 |
◊ |
E |
x,y,z |
1_555 |
29 |
10 |
25194 |
176.5 |
4.8 |
0.479 |
0 |
0 |
0 |
0.000 |
Average: |
177.5 |
4.9 |
0.470 |
0 |
0 |
0 |
0.000 |
14 |
40 |
|
[MES]D:7007 |
12 |
1 |
325 |
◊ |
D |
x,y,z |
1_555 |
29 |
11 |
25276 |
178.3 |
4.6 |
0.462 |
0 |
0 |
0 |
0.000 |
15 |
41 |
|
D |
14 |
3 |
25276 |
◊ |
F |
x-1,y-1,z |
1_445 |
11 |
4 |
25113 |
124.0 |
1.7 |
0.804 |
0 |
2 |
0 |
0.000 |
16 |
42 |
|
D |
12 |
4 |
25276 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
25252 |
119.8 |
-1.1 |
0.440 |
0 |
0 |
0 |
0.000 |
17 |
43 |
|
B |
15 |
6 |
25262 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
12 |
5 |
25262 |
108.8 |
-1.0 |
0.347 |
0 |
0 |
0 |
0.000 |
44 |
|
G |
16 |
5 |
25184 |
x |
G |
-x+1,y-1/2,-z |
2_645 |
8 |
4 |
25184 |
88.7 |
-0.8 |
0.390 |
0 |
0 |
0 |
0.000 |
Average: |
98.8 |
-0.9 |
0.369 |
0 |
0 |
0 |
0.000 |
18 |
45 |
|
[MES]E:7004 |
8 |
1 |
326 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
25113 |
82.6 |
1.0 |
0.131 |
0 |
0 |
0 |
0.000 |
46 |
|
[MES]C:7005 |
8 |
1 |
327 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
25276 |
81.4 |
1.2 |
0.136 |
0 |
0 |
0 |
0.000 |
47 |
|
[MES]F:7001 |
8 |
1 |
327 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
25194 |
81.1 |
1.2 |
0.133 |
0 |
0 |
0 |
0.000 |
Average: |
81.7 |
1.1 |
0.133 |
0 |
0 |
0 |
0.000 |
19 |
48 |
|
[MES]A:7003 |
8 |
1 |
326 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
25262 |
82.2 |
1.2 |
0.104 |
0 |
0 |
0 |
0.000 |
49 |
|
[MES]H:7002 |
8 |
1 |
324 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
25184 |
81.8 |
1.1 |
0.106 |
0 |
0 |
0 |
0.000 |
50 |
|
[MES]B:7006 |
8 |
1 |
325 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
25199 |
81.8 |
1.3 |
0.141 |
0 |
0 |
0 |
0.000 |
51 |
|
[MES]G:7008 |
8 |
1 |
326 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
24960 |
80.7 |
1.2 |
0.135 |
0 |
0 |
0 |
0.000 |
Average: |
81.6 |
1.2 |
0.121 |
0 |
0 |
0 |
0.000 |
20 |
52 |
|
[MES]D:7007 |
8 |
1 |
325 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
25252 |
82.2 |
1.1 |
0.142 |
0 |
0 |
0 |
0.000 |
21 |
53 |
|
A |
10 |
7 |
25199 |
◊ |
G |
x,y-1,z+1 |
1_546 |
11 |
7 |
25184 |
74.6 |
-1.6 |
0.275 |
0 |
0 |
0 |
0.000 |
22 |
54 |
|
D |
6 |
2 |
25276 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
4 |
25252 |
60.2 |
-0.4 |
0.403 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
5 |
2 |
25194 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
2 |
25113 |
33.7 |
-0.3 |
0.452 |
0 |
0 |
0 |
0.000 |
Average: |
46.9 |
-0.4 |
0.427 |
0 |
0 |
0 |
0.000 |
23 |
56 |
|
[MES]F:7001 |
4 |
1 |
327 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
25184 |
38.5 |
0.3 |
0.133 |
0 |
0 |
0 |
0.000 |
57 |
|
[MES]C:7005 |
4 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
25262 |
37.5 |
0.4 |
0.158 |
0 |
0 |
0 |
0.000 |
58 |
|
[MES]E:7004 |
4 |
1 |
326 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
24960 |
35.9 |
0.3 |
0.136 |
0 |
0 |
0 |
0.000 |
Average: |
37.3 |
0.3 |
0.142 |
0 |
0 |
0 |
0.000 |
24 |
59 |
|
[MES]B:7006 |
4 |
1 |
325 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
25252 |
37.9 |
0.5 |
0.139 |
0 |
0 |
0 |
0.000 |
60 |
|
[MES]A:7003 |
4 |
1 |
326 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
25276 |
37.1 |
0.4 |
0.120 |
0 |
0 |
0 |
0.000 |
61 |
|
[MES]H:7002 |
4 |
1 |
324 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
25194 |
36.8 |
0.4 |
0.143 |
0 |
0 |
0 |
0.000 |
62 |
|
[MES]G:7008 |
4 |
1 |
326 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
25113 |
36.5 |
0.4 |
0.146 |
0 |
0 |
0 |
0.000 |
Average: |
37.1 |
0.4 |
0.137 |
0 |
0 |
0 |
0.000 |
25 |
63 |
|
[MES]D:7007 |
4 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
25199 |
35.5 |
0.3 |
0.134 |
0 |
0 |
0 |
0.000 |
|