## |
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 |
325 |
87 |
23627 |
◊ |
A |
x,y,z |
1_555 |
319 |
88 |
23645 |
2968.0 |
-31.7 |
0.033 |
40 |
8 |
0 |
0.139 |
2 |
2 |
|
A |
99 |
28 |
23645 |
x |
A |
-y+1,x+1,z |
3_665 |
101 |
34 |
23645 |
891.3 |
-1.8 |
0.705 |
9 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
96 |
30 |
23645 |
◊ |
A |
-x,y,-z+1 |
5_556 |
96 |
30 |
23645 |
882.8 |
-2.4 |
0.661 |
6 |
2 |
0 |
0.000 |
4 |
4 |
|
[FAD]A:701 |
53 |
1 |
1003 |
f |
A |
x,y,z |
1_555 |
98 |
42 |
23645 |
691.3 |
-10.3 |
0.382 |
16 |
0 |
0 |
0.097 |
5 |
|
[FAD]B:1701 |
53 |
1 |
1001 |
f |
B |
x,y,z |
1_555 |
94 |
41 |
23627 |
687.9 |
-10.3 |
0.372 |
17 |
0 |
0 |
0.097 |
Average: |
689.6 |
-10.3 |
0.377 |
17 |
0 |
0 |
0.097 |
5 |
6 |
|
A |
74 |
17 |
23645 |
◊ |
A |
-x,-y+1,z |
2_565 |
74 |
17 |
23645 |
621.0 |
-6.6 |
0.276 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
[TPP]B:1702 |
26 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
48 |
23 |
23627 |
295.9 |
-10.4 |
0.131 |
9 |
0 |
0 |
0.040 |
7 |
8 |
|
[AYD]A:700 |
24 |
1 |
592 |
f |
A |
x,y,z |
1_555 |
46 |
23 |
23645 |
286.3 |
-7.9 |
0.162 |
12 |
0 |
0 |
0.036 |
8 |
9 |
|
B |
30 |
12 |
23627 |
x |
B |
-y+1,x+1,z |
3_665 |
31 |
14 |
23627 |
277.8 |
-0.9 |
0.507 |
3 |
2 |
0 |
0.000 |
9 |
10 |
|
B |
30 |
8 |
23627 |
◊ |
B |
-y+1,-x+1,-z |
8_665 |
28 |
8 |
23627 |
253.9 |
-3.7 |
0.247 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[CIE]B:1695 |
25 |
1 |
587 |
◊ |
A |
x,y,z |
1_555 |
31 |
12 |
23645 |
242.8 |
1.9 |
0.366 |
1 |
0 |
0 |
0.000 |
12 |
|
[CIE]A:695 |
24 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
23627 |
241.7 |
1.6 |
0.355 |
1 |
0 |
0 |
0.000 |
Average: |
242.3 |
1.8 |
0.361 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[CIE]B:1695 |
21 |
1 |
587 |
f |
B |
x,y,z |
1_555 |
33 |
9 |
23627 |
225.4 |
-2.5 |
0.330 |
3 |
0 |
0 |
0.020 |
14 |
|
[CIE]A:695 |
22 |
1 |
583 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
23645 |
224.4 |
-2.1 |
0.357 |
3 |
0 |
0 |
0.020 |
Average: |
224.9 |
-2.3 |
0.344 |
3 |
0 |
0 |
0.020 |
12 |
15 |
|
B |
16 |
6 |
23627 |
◊ |
A |
-y+1,x+1,z |
3_665 |
20 |
8 |
23645 |
167.0 |
-0.9 |
0.507 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[TPP]B:1702 |
14 |
1 |
616 |
◊ |
A |
x,y,z |
1_555 |
23 |
12 |
23645 |
148.6 |
1.6 |
0.746 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[DTT]B:1698 |
8 |
1 |
282 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
23627 |
146.0 |
-3.5 |
0.351 |
3 |
0 |
0 |
0.029 |
18 |
|
[DTT]A:698 |
8 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
23645 |
145.7 |
-3.6 |
0.342 |
5 |
0 |
0 |
0.029 |
Average: |
145.9 |
-3.5 |
0.347 |
4 |
0 |
0 |
0.029 |
15 |
19 |
|
[AYD]A:700 |
12 |
1 |
592 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
23627 |
142.1 |
1.2 |
0.718 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[K]B:1696 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
23627 |
114.5 |
-95.6 |
0.000 |
0 |
0 |
0 |
0.525 |
21 |
|
[K]A:696 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
23645 |
113.4 |
-95.4 |
0.000 |
0 |
0 |
0 |
0.525 |
Average: |
113.9 |
-95.5 |
0.000 |
0 |
0 |
0 |
0.525 |
17 |
22 |
|
[FAD]B:1701 |
8 |
1 |
1001 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
23645 |
48.0 |
-1.6 |
0.257 |
0 |
0 |
0 |
0.009 |
23 |
|
[FAD]A:701 |
9 |
1 |
1003 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
23627 |
47.6 |
-1.5 |
0.283 |
0 |
0 |
0 |
0.009 |
Average: |
47.8 |
-1.6 |
0.270 |
0 |
0 |
0 |
0.009 |
18 |
24 |
|
[MG]A:699 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
23645 |
37.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.034 |
25 |
|
[MG]B:1699 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
23627 |
37.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
37.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.034 |
19 |
26 |
|
[FAD]A:701 |
3 |
1 |
1003 |
f |
[CIE]A:695 |
x,y,z |
1_555 |
2 |
1 |
583 |
33.9 |
1.3 |
0.680 |
0 |
0 |
0 |
0.000 |
27 |
|
[FAD]B:1701 |
3 |
1 |
1001 |
f |
[CIE]B:1695 |
x,y,z |
1_555 |
2 |
1 |
587 |
32.8 |
1.4 |
0.691 |
0 |
0 |
0 |
0.000 |
Average: |
33.4 |
1.3 |
0.686 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[AYD]A:700 |
4 |
1 |
592 |
f |
[MG]A:699 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.013 |
21 |
29 |
|
[TPP]B:1702 |
5 |
1 |
616 |
f |
[MG]B:1699 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.013 |
22 |
30 |
|
[DTT]A:698 |
3 |
1 |
283 |
f |
[K]A:696 |
x,y,z |
1_555 |
1 |
1 |
216 |
24.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.061 |
31 |
|
[DTT]B:1698 |
2 |
1 |
282 |
f |
[K]B:1696 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
23.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.061 |
23 |
32 |
|
[TPP]B:1702 |
5 |
1 |
616 |
f |
[CIE]B:1695 |
x,y,z |
1_555 |
2 |
1 |
587 |
13.2 |
-0.9 |
0.285 |
0 |
0 |
0 |
0.002 |
24 |
33 |
|
[TPP]B:1702 |
1 |
1 |
616 |
f |
[FAD]B:1701 |
x,y,z |
1_555 |
2 |
1 |
1001 |
11.6 |
-0.6 |
0.336 |
0 |
0 |
0 |
0.002 |
25 |
34 |
|
[AYD]A:700 |
3 |
1 |
592 |
f |
[CIE]A:695 |
x,y,z |
1_555 |
1 |
1 |
583 |
7.7 |
-0.7 |
0.214 |
0 |
0 |
0 |
0.002 |
26 |
35 |
|
[FAD]A:701 |
1 |
1 |
1003 |
f |
[AYD]A:700 |
x,y,z |
1_555 |
1 |
1 |
592 |
0.6 |
0.0 |
0.427 |
0 |
0 |
0 |
0.000 |
|