## |
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 |
222 |
60 |
13430 |
◊ |
A |
x,y,z |
1_555 |
221 |
59 |
13250 |
2189.4 |
-29.0 |
0.054 |
20 |
4 |
0 |
0.000 |
2 |
2 |
|
A |
46 |
17 |
13250 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
13 |
13430 |
454.2 |
-4.5 |
0.365 |
5 |
2 |
1 |
0.000 |
3 |
3 |
|
B |
41 |
13 |
13430 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
42 |
14 |
13250 |
406.2 |
-4.7 |
0.265 |
2 |
2 |
0 |
0.000 |
4 |
4 |
|
[FMN]B:408 |
30 |
1 |
601 |
f |
B |
x,y,z |
1_555 |
71 |
30 |
13430 |
396.5 |
-4.8 |
0.611 |
19 |
0 |
0 |
0.088 |
5 |
|
[FMN]A:409 |
30 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
69 |
30 |
13250 |
396.5 |
-4.5 |
0.604 |
17 |
0 |
0 |
0.088 |
Average: |
396.5 |
-4.6 |
0.607 |
18 |
0 |
0 |
0.088 |
5 |
6 |
|
[5LM]A:401 |
17 |
1 |
420 |
cf |
A |
x,y,z |
1_555 |
35 |
18 |
13250 |
239.3 |
-2.2 |
0.602 |
8 |
0 |
0 |
0.039 |
7 |
|
[5LM]B:401 |
17 |
1 |
422 |
cf |
B |
x,y,z |
1_555 |
37 |
18 |
13430 |
236.5 |
-2.2 |
0.614 |
8 |
0 |
0 |
0.039 |
Average: |
237.9 |
-2.2 |
0.608 |
8 |
0 |
0 |
0.039 |
6 |
8 |
|
B |
16 |
6 |
13430 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
18 |
4 |
13430 |
132.4 |
0.8 |
0.774 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
15 |
4 |
13250 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
13250 |
108.7 |
-0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
Average: |
120.6 |
0.3 |
0.699 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
A |
22 |
8 |
13250 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
20 |
7 |
13430 |
125.1 |
-0.5 |
0.650 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
18 |
5 |
13250 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
13430 |
108.0 |
-0.3 |
0.644 |
0 |
0 |
0 |
0.000 |
Average: |
116.6 |
-0.4 |
0.647 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[GOL]A:406 |
6 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
13250 |
122.9 |
0.6 |
0.690 |
3 |
0 |
0 |
0.003 |
9 |
13 |
|
[GOL]B:406 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
13430 |
116.5 |
-0.9 |
0.459 |
0 |
0 |
0 |
0.006 |
10 |
14 |
|
[GOL]A:404 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13250 |
114.7 |
-0.9 |
0.513 |
0 |
0 |
0 |
0.004 |
11 |
15 |
|
[GOL]A:403 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13250 |
113.6 |
-1.2 |
0.467 |
1 |
0 |
0 |
0.007 |
12 |
16 |
|
[GOL]B:403 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
13430 |
110.7 |
-1.1 |
0.495 |
3 |
0 |
0 |
0.016 |
13 |
17 |
|
[EDO]B:416 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
13430 |
108.5 |
4.0 |
0.529 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[GOL]A:408 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
13250 |
103.8 |
0.5 |
0.689 |
3 |
0 |
0 |
0.000 |
15 |
19 |
|
[GOL]A:407 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
13250 |
100.1 |
-0.1 |
0.593 |
2 |
0 |
0 |
0.004 |
16 |
20 |
|
[EDO]B:412 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13430 |
95.8 |
3.3 |
0.454 |
2 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:412 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13250 |
95.0 |
3.3 |
0.444 |
2 |
0 |
0 |
0.000 |
Average: |
95.4 |
3.3 |
0.449 |
2 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]B:414 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
13430 |
90.9 |
2.7 |
0.471 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]A:413 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
13250 |
89.5 |
2.2 |
0.476 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:411 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
13250 |
88.7 |
2.2 |
0.306 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[GOL]B:407 |
6 |
1 |
223 |
f |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
16 |
6 |
13250 |
88.6 |
-1.8 |
0.277 |
0 |
0 |
0 |
0.007 |
21 |
26 |
|
[GOL]A:402 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
13250 |
87.7 |
0.0 |
0.609 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
[GOL]B:407 |
6 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
13430 |
87.3 |
-0.7 |
0.418 |
2 |
0 |
0 |
0.000 |
23 |
28 |
|
[GOL]B:402 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
13430 |
86.8 |
0.1 |
0.618 |
2 |
0 |
0 |
0.000 |
24 |
29 |
|
[GOL]A:402 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
13430 |
85.8 |
-1.2 |
0.407 |
0 |
0 |
0 |
0.008 |
25 |
30 |
|
[GOL]B:402 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
13250 |
85.6 |
-1.2 |
0.389 |
0 |
0 |
0 |
0.005 |
26 |
31 |
|
[EDO]B:413 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
13430 |
85.2 |
2.3 |
0.297 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[NCO]B:409 |
4 |
1 |
275 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
13430 |
83.8 |
1.5 |
0.512 |
5 |
0 |
0 |
0.000 |
28 |
33 |
|
[NCO]B:409 |
4 |
1 |
275 |
f |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
4 |
13250 |
83.4 |
1.0 |
0.228 |
5 |
0 |
0 |
0.005 |
29 |
34 |
|
[GOL]B:403 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
13250 |
81.5 |
-1.4 |
0.377 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[GOL]B:404 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13430 |
78.9 |
-0.9 |
0.417 |
1 |
0 |
0 |
0.009 |
36 |
|
[GOL]A:405 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13250 |
75.5 |
-0.7 |
0.452 |
1 |
0 |
0 |
0.009 |
Average: |
77.2 |
-0.8 |
0.435 |
1 |
0 |
0 |
0.009 |
31 |
37 |
|
[FMN]B:408 |
18 |
1 |
601 |
f |
[5LM]B:401 |
x,y,z |
1_555 |
14 |
1 |
422 |
77.2 |
1.0 |
0.818 |
0 |
0 |
0 |
0.000 |
38 |
|
[FMN]A:409 |
18 |
1 |
602 |
f |
[5LM]A:401 |
x,y,z |
1_555 |
13 |
1 |
420 |
76.7 |
1.0 |
0.816 |
0 |
0 |
0 |
0.000 |
Average: |
77.0 |
1.0 |
0.817 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[NCO]B:410 |
4 |
1 |
270 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
13 |
6 |
13250 |
75.9 |
0.5 |
0.389 |
4 |
0 |
0 |
0.000 |
33 |
40 |
|
A |
13 |
3 |
13250 |
◊ |
[GOL]B:404 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
218 |
70.3 |
0.4 |
0.692 |
3 |
0 |
0 |
0.000 |
34 |
41 |
|
[GOL]A:405 |
5 |
1 |
220 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
11 |
3 |
13430 |
69.8 |
0.4 |
0.692 |
2 |
0 |
0 |
0.000 |
35 |
42 |
|
[GOL]B:405 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13430 |
69.2 |
-0.8 |
0.473 |
2 |
0 |
0 |
0.011 |
36 |
43 |
|
[GOL]A:406 |
6 |
1 |
224 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
13430 |
67.6 |
0.0 |
0.540 |
1 |
0 |
0 |
0.000 |
37 |
44 |
|
[EDO]B:415 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13430 |
66.4 |
0.9 |
0.388 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[GOL]B:405 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13250 |
66.0 |
-0.8 |
0.436 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[EDO]A:413 |
4 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
6 |
3 |
13430 |
64.5 |
2.1 |
0.309 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[EDO]A:414 |
4 |
1 |
194 |
◊ |
A |
x,y,z |
1_555 |
12 |
9 |
13250 |
62.3 |
1.0 |
0.629 |
1 |
0 |
0 |
0.000 |
41 |
48 |
|
B |
12 |
8 |
13430 |
◊ |
[EDO]A:414 |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
194 |
62.2 |
0.9 |
0.644 |
1 |
0 |
0 |
0.000 |
42 |
49 |
|
[EDO]A:410 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13250 |
57.4 |
1.2 |
0.642 |
1 |
0 |
0 |
0.000 |
43 |
50 |
|
[EDO]B:411 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13430 |
57.4 |
1.0 |
0.744 |
1 |
0 |
0 |
0.000 |
44 |
51 |
|
[NCO]B:410 |
4 |
1 |
270 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
13430 |
49.9 |
0.4 |
0.352 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[EDO]A:410 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
13430 |
45.8 |
1.0 |
0.135 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[GOL]B:405 |
5 |
1 |
221 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
6 |
4 |
13430 |
45.6 |
-0.7 |
0.388 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[NCO]B:409 |
4 |
1 |
275 |
◊ |
[EDO]A:414 |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
194 |
45.4 |
1.5 |
0.177 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[EDO]B:411 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13250 |
41.0 |
0.8 |
0.405 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[GOL]A:408 |
4 |
1 |
219 |
◊ |
[GOL]A:404 |
x,y,z |
1_555 |
4 |
1 |
219 |
36.7 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
50 |
57 |
|
B |
4 |
2 |
13430 |
◊ |
[EDO]B:413 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
186 |
35.8 |
0.4 |
0.574 |
1 |
0 |
0 |
0.000 |
51 |
58 |
|
[GOL]B:405 |
3 |
1 |
221 |
◊ |
[EDO]B:413 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
186 |
29.5 |
0.8 |
0.866 |
1 |
0 |
0 |
0.000 |
52 |
59 |
|
[FMN]A:409 |
1 |
1 |
602 |
f |
[GOL]A:404 |
x,y,z |
1_555 |
2 |
1 |
219 |
23.4 |
-0.7 |
0.254 |
0 |
0 |
0 |
0.003 |
53 |
60 |
|
[FMN]B:408 |
1 |
1 |
601 |
f |
[GOL]B:406 |
x,y,z |
1_555 |
2 |
1 |
219 |
22.8 |
-0.7 |
0.254 |
0 |
0 |
0 |
0.005 |
54 |
61 |
|
[NCO]B:410 |
2 |
1 |
270 |
◊ |
[GOL]A:403 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
220 |
19.9 |
0.2 |
0.707 |
1 |
0 |
0 |
0.000 |
55 |
62 |
|
A |
4 |
1 |
13250 |
◊ |
[GOL]B:402 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
220 |
12.7 |
-0.2 |
0.509 |
0 |
0 |
0 |
0.000 |
56 |
63 |
|
[EDO]A:411 |
2 |
1 |
184 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
13430 |
12.1 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
57 |
64 |
|
[EDO]B:411 |
2 |
1 |
184 |
f |
[EDO]A:410 |
x,y,z |
1_555 |
2 |
1 |
185 |
11.6 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
65 |
|
B |
2 |
1 |
13430 |
◊ |
[GOL]A:408 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
219 |
11.3 |
0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
59 |
66 |
|
[GOL]A:402 |
3 |
1 |
219 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
13430 |
9.9 |
-0.2 |
0.420 |
0 |
0 |
0 |
0.000 |
60 |
67 |
|
[EDO]B:414 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13250 |
8.1 |
0.1 |
0.504 |
0 |
0 |
0 |
0.000 |
61 |
68 |
|
[GOL]A:403 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
13430 |
5.5 |
-0.2 |
0.532 |
0 |
0 |
0 |
0.000 |
62 |
69 |
|
A |
1 |
1 |
13250 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
13250 |
2.5 |
0.1 |
0.800 |
0 |
0 |
0 |
0.000 |
70 |
|
B |
1 |
1 |
13430 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
13430 |
1.1 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
Average: |
1.8 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
[EDO]A:414 |
1 |
1 |
194 |
f |
[GOL]A:408 |
x,y,z |
1_555 |
1 |
1 |
219 |
2.2 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
64 |
72 |
|
A |
1 |
1 |
13250 |
f |
[EDO]B:413 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
186 |
1.1 |
0.0 |
0.716 |
0 |
0 |
0 |
0.000 |
65 |
73 |
|
[NCO]B:409 |
1 |
1 |
275 |
◊ |
[GOL]A:408 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
219 |
0.7 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|