| ## |
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 |
199 |
55 |
21427 |
◊ |
G |
x,y,z |
1_555 |
200 |
55 |
21082 |
2041.4 |
-16.9 |
0.174 |
33 |
2 |
0 |
0.539 |
2 |
|
L |
200 |
57 |
21479 |
◊ |
I |
x,y,z |
1_555 |
196 |
54 |
21510 |
2036.4 |
-16.9 |
0.184 |
32 |
2 |
0 |
0.539 |
3 |
|
D |
198 |
55 |
21247 |
◊ |
C |
x,y,z |
1_555 |
198 |
55 |
21408 |
2036.2 |
-17.0 |
0.171 |
33 |
2 |
0 |
0.539 |
4 |
|
B |
196 |
55 |
21217 |
◊ |
A |
x,y,z |
1_555 |
197 |
54 |
21478 |
2028.7 |
-16.9 |
0.168 |
33 |
2 |
0 |
0.539 |
5 |
|
F |
194 |
53 |
21423 |
◊ |
E |
x,y,z |
1_555 |
196 |
53 |
21581 |
2023.2 |
-16.9 |
0.173 |
34 |
2 |
0 |
0.539 |
| Average: |
2033.2 |
-16.9 |
0.174 |
33 |
2 |
0 |
0.539 |
| 2 |
6 |
|
[FAD]L:600 |
52 |
1 |
1002 |
cf |
L |
x,y,z |
1_555 |
107 |
43 |
21479 |
693.0 |
-8.8 |
0.417 |
16 |
0 |
0 |
0.538 |
7 |
|
[FAD]E:600 |
52 |
1 |
996 |
cf |
E |
x,y,z |
1_555 |
110 |
45 |
21581 |
692.7 |
-8.8 |
0.421 |
16 |
0 |
0 |
0.538 |
8 |
|
[FAD]F:600 |
53 |
1 |
997 |
cf |
F |
x,y,z |
1_555 |
110 |
44 |
21423 |
690.8 |
-8.6 |
0.430 |
16 |
0 |
0 |
0.538 |
9 |
|
[FAD]B:600 |
52 |
1 |
995 |
cf |
B |
x,y,z |
1_555 |
110 |
45 |
21217 |
690.3 |
-8.7 |
0.413 |
17 |
0 |
0 |
0.538 |
10 |
|
[FAD]A:600 |
53 |
1 |
993 |
cf |
A |
x,y,z |
1_555 |
112 |
45 |
21478 |
690.0 |
-8.8 |
0.429 |
17 |
0 |
0 |
0.538 |
11 |
|
[FAD]D:600 |
52 |
1 |
997 |
cf |
D |
x,y,z |
1_555 |
112 |
46 |
21247 |
689.9 |
-8.8 |
0.429 |
17 |
0 |
0 |
0.538 |
12 |
|
[FAD]G:600 |
52 |
1 |
993 |
cf |
G |
x,y,z |
1_555 |
111 |
45 |
21082 |
689.0 |
-8.7 |
0.415 |
15 |
0 |
0 |
0.538 |
13 |
|
[FAD]C:600 |
52 |
1 |
992 |
cf |
C |
x,y,z |
1_555 |
111 |
46 |
21408 |
688.4 |
-8.8 |
0.425 |
16 |
0 |
0 |
0.538 |
14 |
|
[FAD]I:600 |
52 |
1 |
995 |
cf |
I |
x,y,z |
1_555 |
111 |
45 |
21510 |
688.1 |
-8.9 |
0.425 |
16 |
0 |
0 |
0.538 |
15 |
|
[FAD]H:600 |
52 |
1 |
994 |
cf |
H |
x,y,z |
1_555 |
111 |
46 |
21427 |
687.3 |
-9.2 |
0.426 |
16 |
0 |
0 |
0.538 |
| Average: |
690.0 |
-8.8 |
0.423 |
16 |
0 |
0 |
0.538 |
| 3 |
16 |
|
B |
68 |
24 |
21217 |
◊ |
I |
x-1,y-1,z-1 |
1_444 |
67 |
21 |
21510 |
557.4 |
-0.8 |
0.688 |
2 |
1 |
0 |
0.000 |
| 4 |
17 |
|
C |
36 |
12 |
21408 |
◊ |
F |
x-1,y,z |
1_455 |
39 |
13 |
21423 |
490.6 |
-6.7 |
0.079 |
4 |
3 |
0 |
0.000 |
18 |
|
A |
17 |
8 |
21478 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
8 |
21581 |
135.9 |
1.8 |
0.859 |
2 |
2 |
0 |
0.000 |
| Average: |
313.2 |
-2.5 |
0.469 |
3 |
3 |
0 |
0.000 |
| 5 |
19 |
|
H |
50 |
13 |
21427 |
◊ |
D |
x,y,z-1 |
1_554 |
50 |
11 |
21247 |
420.4 |
-2.8 |
0.442 |
1 |
0 |
0 |
0.000 |
| 6 |
20 |
|
[LDA]I:601 |
15 |
1 |
502 |
f |
I |
x,y,z |
1_555 |
58 |
20 |
21510 |
356.7 |
2.1 |
0.297 |
0 |
0 |
0 |
0.000 |
21 |
|
[LDA]G:601 |
15 |
1 |
500 |
f |
G |
x,y,z |
1_555 |
57 |
20 |
21082 |
356.0 |
2.1 |
0.295 |
0 |
0 |
0 |
0.000 |
22 |
|
[LDA]L:601 |
15 |
1 |
500 |
f |
L |
x,y,z |
1_555 |
59 |
20 |
21479 |
355.9 |
2.0 |
0.310 |
0 |
0 |
0 |
0.000 |
23 |
|
[LDA]B:601 |
15 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
59 |
20 |
21217 |
355.5 |
2.0 |
0.302 |
0 |
0 |
0 |
0.000 |
24 |
|
[LDA]A:601 |
15 |
1 |
496 |
f |
A |
x,y,z |
1_555 |
58 |
19 |
21478 |
354.8 |
1.9 |
0.299 |
0 |
0 |
0 |
0.000 |
25 |
|
[LDA]C:601 |
15 |
1 |
497 |
f |
C |
x,y,z |
1_555 |
58 |
20 |
21408 |
354.8 |
2.0 |
0.305 |
0 |
0 |
0 |
0.000 |
26 |
|
[LDA]E:601 |
15 |
1 |
496 |
f |
E |
x,y,z |
1_555 |
60 |
19 |
21581 |
354.6 |
2.0 |
0.313 |
0 |
0 |
0 |
0.000 |
27 |
|
[LDA]F:601 |
15 |
1 |
497 |
f |
F |
x,y,z |
1_555 |
60 |
20 |
21423 |
354.3 |
2.0 |
0.316 |
0 |
0 |
0 |
0.000 |
28 |
|
[LDA]D:601 |
15 |
1 |
497 |
f |
D |
x,y,z |
1_555 |
59 |
20 |
21247 |
354.1 |
2.0 |
0.307 |
0 |
0 |
0 |
0.000 |
29 |
|
[LDA]H:601 |
15 |
1 |
497 |
f |
H |
x,y,z |
1_555 |
58 |
19 |
21427 |
352.1 |
2.2 |
0.306 |
0 |
0 |
0 |
0.000 |
| Average: |
354.9 |
2.0 |
0.305 |
0 |
0 |
0 |
0.000 |
| 7 |
30 |
|
C |
44 |
15 |
21408 |
◊ |
E |
x-1,y,z |
1_455 |
34 |
11 |
21581 |
350.5 |
-0.5 |
0.639 |
2 |
2 |
0 |
0.000 |
| 8 |
31 |
|
C |
34 |
9 |
21408 |
◊ |
I |
x-1,y-1,z |
1_445 |
36 |
10 |
21510 |
330.4 |
-1.7 |
0.420 |
2 |
0 |
0 |
0.000 |
32 |
|
H |
35 |
9 |
21427 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
21478 |
321.0 |
-1.8 |
0.419 |
2 |
0 |
0 |
0.000 |
| Average: |
325.7 |
-1.8 |
0.420 |
2 |
0 |
0 |
0.000 |
| 9 |
33 |
|
D |
36 |
12 |
21247 |
◊ |
F |
x-1,y,z |
1_455 |
41 |
14 |
21423 |
320.2 |
-2.1 |
0.470 |
2 |
3 |
0 |
0.000 |
34 |
|
B |
33 |
10 |
21217 |
◊ |
E |
x-1,y,z |
1_455 |
41 |
15 |
21581 |
318.7 |
-2.3 |
0.449 |
1 |
0 |
0 |
0.000 |
35 |
|
A |
37 |
12 |
21478 |
◊ |
F |
x-1,y,z |
1_455 |
31 |
10 |
21423 |
274.9 |
-2.8 |
0.380 |
1 |
0 |
0 |
0.000 |
36 |
|
L |
32 |
12 |
21479 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
21408 |
264.1 |
-3.4 |
0.278 |
1 |
2 |
0 |
0.000 |
37 |
|
A |
28 |
8 |
21478 |
◊ |
G |
x,y-1,z |
1_545 |
31 |
12 |
21082 |
262.4 |
-3.7 |
0.236 |
1 |
1 |
0 |
0.000 |
| Average: |
288.1 |
-2.9 |
0.363 |
1 |
1 |
0 |
0.000 |
| 10 |
38 |
|
B |
39 |
13 |
21217 |
◊ |
H |
x,y-1,z |
1_545 |
33 |
10 |
21427 |
316.8 |
-3.5 |
0.309 |
2 |
2 |
0 |
0.000 |
39 |
|
I |
32 |
11 |
21510 |
◊ |
D |
x,y,z |
1_555 |
38 |
12 |
21247 |
307.7 |
-3.4 |
0.311 |
2 |
2 |
0 |
0.000 |
| Average: |
312.3 |
-3.5 |
0.310 |
2 |
2 |
0 |
0.000 |
| 11 |
40 |
|
E |
37 |
8 |
21581 |
◊ |
G |
x,y-1,z |
1_545 |
39 |
13 |
21082 |
301.4 |
1.5 |
0.795 |
1 |
0 |
0 |
0.000 |
| 12 |
41 |
|
B |
9 |
3 |
21217 |
◊ |
G |
x,y-1,z |
1_545 |
9 |
3 |
21082 |
71.6 |
2.0 |
0.902 |
0 |
2 |
0 |
0.000 |
42 |
|
L |
7 |
3 |
21479 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
21247 |
47.5 |
1.6 |
0.891 |
0 |
0 |
0 |
0.000 |
| Average: |
59.6 |
1.8 |
0.897 |
0 |
1 |
0 |
0.000 |
| 13 |
43 |
|
[LDA]F:601 |
3 |
1 |
497 |
f |
[FAD]F:600 |
x,y,z |
1_555 |
11 |
1 |
997 |
50.0 |
-0.2 |
0.311 |
0 |
0 |
0 |
0.007 |
44 |
|
[LDA]I:601 |
3 |
1 |
502 |
f |
[FAD]I:600 |
x,y,z |
1_555 |
11 |
1 |
995 |
49.7 |
-0.2 |
0.320 |
0 |
0 |
0 |
0.007 |
45 |
|
[LDA]L:601 |
3 |
1 |
500 |
f |
[FAD]L:600 |
x,y,z |
1_555 |
11 |
1 |
1002 |
49.7 |
-0.2 |
0.308 |
0 |
0 |
0 |
0.007 |
46 |
|
[LDA]E:601 |
3 |
1 |
496 |
f |
[FAD]E:600 |
x,y,z |
1_555 |
11 |
1 |
996 |
49.7 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.007 |
47 |
|
[LDA]C:601 |
3 |
1 |
497 |
f |
[FAD]C:600 |
x,y,z |
1_555 |
11 |
1 |
992 |
49.6 |
-0.1 |
0.321 |
0 |
0 |
0 |
0.007 |
48 |
|
[LDA]G:601 |
3 |
1 |
500 |
f |
[FAD]G:600 |
x,y,z |
1_555 |
11 |
1 |
993 |
49.3 |
-0.2 |
0.321 |
0 |
0 |
0 |
0.007 |
49 |
|
[LDA]A:601 |
3 |
1 |
496 |
f |
[FAD]A:600 |
x,y,z |
1_555 |
11 |
1 |
993 |
49.2 |
-0.2 |
0.311 |
0 |
0 |
0 |
0.007 |
50 |
|
[LDA]B:601 |
3 |
1 |
497 |
f |
[FAD]B:600 |
x,y,z |
1_555 |
11 |
1 |
995 |
49.1 |
-0.1 |
0.325 |
0 |
0 |
0 |
0.007 |
51 |
|
[LDA]H:601 |
3 |
1 |
497 |
f |
[FAD]H:600 |
x,y,z |
1_555 |
11 |
1 |
994 |
49.1 |
-0.2 |
0.302 |
0 |
0 |
0 |
0.007 |
52 |
|
[LDA]D:601 |
3 |
1 |
497 |
f |
[FAD]D:600 |
x,y,z |
1_555 |
11 |
1 |
997 |
49.1 |
-0.1 |
0.328 |
0 |
0 |
0 |
0.007 |
| Average: |
49.5 |
-0.2 |
0.316 |
0 |
0 |
0 |
0.007 |
| 14 |
53 |
|
A |
8 |
4 |
21478 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
21408 |
37.0 |
-0.0 |
0.537 |
0 |
0 |
0 |
0.000 |
| 15 |
54 |
|
L |
5 |
4 |
21479 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
21423 |
35.2 |
0.5 |
0.765 |
0 |
0 |
0 |
0.000 |
| 16 |
55 |
|
[FAD]G:600 |
3 |
1 |
993 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
21427 |
18.2 |
0.1 |
0.387 |
0 |
0 |
0 |
0.000 |
56 |
|
[FAD]C:600 |
3 |
1 |
992 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
21247 |
18.1 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
57 |
|
[FAD]A:600 |
2 |
1 |
993 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
21217 |
17.7 |
0.1 |
0.416 |
0 |
0 |
0 |
0.000 |
58 |
|
[FAD]L:600 |
2 |
1 |
1002 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
21510 |
17.3 |
0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
59 |
|
[FAD]H:600 |
3 |
1 |
994 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
21082 |
17.1 |
0.1 |
0.402 |
0 |
0 |
0 |
0.000 |
60 |
|
[FAD]D:600 |
3 |
1 |
997 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21408 |
16.7 |
0.1 |
0.400 |
0 |
0 |
0 |
0.000 |
61 |
|
[FAD]E:600 |
3 |
1 |
996 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
21423 |
16.5 |
0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
62 |
|
[FAD]I:600 |
3 |
1 |
995 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
21479 |
16.3 |
0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
63 |
|
[FAD]F:600 |
2 |
1 |
997 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
21581 |
16.3 |
0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
64 |
|
[FAD]B:600 |
3 |
1 |
995 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21478 |
16.0 |
0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| Average: |
17.0 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
| 17 |
65 |
|
D |
4 |
2 |
21247 |
◊ |
L |
x-1,y,z |
1_455 |
1 |
1 |
21479 |
17.2 |
0.7 |
0.821 |
0 |
0 |
0 |
0.000 |
|