| ## |
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 |
294 |
76 |
13046 |
◊ |
A |
x,y,z |
1_555 |
313 |
94 |
24143 |
2972.5 |
-11.7 |
0.448 |
44 |
18 |
0 |
0.256 |
2 |
|
H |
294 |
77 |
13055 |
◊ |
G |
x,y,z |
1_555 |
316 |
91 |
24151 |
2972.5 |
-10.9 |
0.470 |
44 |
18 |
0 |
0.256 |
3 |
|
K |
291 |
77 |
13057 |
◊ |
J |
x,y,z |
1_555 |
318 |
94 |
24142 |
2971.7 |
-10.8 |
0.474 |
44 |
18 |
0 |
0.256 |
4 |
|
E |
291 |
77 |
13053 |
◊ |
D |
x,y,z |
1_555 |
315 |
93 |
24166 |
2969.9 |
-12.4 |
0.417 |
44 |
18 |
0 |
0.256 |
| Average: |
2971.7 |
-11.5 |
0.452 |
44 |
18 |
0 |
0.256 |
| 2 |
5 |
|
L |
211 |
54 |
15651 |
◊ |
I |
x,y,z |
1_555 |
211 |
55 |
15627 |
2051.4 |
-32.2 |
0.451 |
23 |
2 |
0 |
0.290 |
6 |
|
F |
215 |
54 |
15650 |
◊ |
C |
x,y,z |
1_555 |
215 |
55 |
15635 |
2044.5 |
-32.1 |
0.474 |
22 |
2 |
0 |
0.290 |
| Average: |
2047.9 |
-32.1 |
0.463 |
23 |
2 |
0 |
0.290 |
| 3 |
7 |
|
C |
174 |
40 |
15635 |
◊ |
B |
x,y,z |
1_555 |
152 |
40 |
13046 |
1568.9 |
-11.0 |
0.369 |
18 |
11 |
0 |
0.154 |
8 |
|
L |
171 |
39 |
15651 |
◊ |
K |
x,y,z |
1_555 |
155 |
40 |
13057 |
1566.9 |
-11.1 |
0.378 |
18 |
11 |
0 |
0.154 |
9 |
|
F |
172 |
40 |
15650 |
◊ |
E |
x,y,z |
1_555 |
154 |
40 |
13053 |
1564.4 |
-11.1 |
0.381 |
18 |
11 |
0 |
0.154 |
10 |
|
I |
172 |
39 |
15627 |
◊ |
H |
x,y,z |
1_555 |
153 |
40 |
13055 |
1563.7 |
-11.1 |
0.377 |
18 |
11 |
0 |
0.154 |
| Average: |
1566.0 |
-11.1 |
0.376 |
18 |
11 |
0 |
0.154 |
| 4 |
11 |
|
[FAD]J:701 |
53 |
1 |
1006 |
cf |
J |
x,y,z |
1_555 |
106 |
42 |
24142 |
727.7 |
-8.6 |
0.381 |
24 |
0 |
0 |
0.145 |
12 |
|
[FAD]D:701 |
53 |
1 |
1007 |
cf |
D |
x,y,z |
1_555 |
106 |
43 |
24166 |
727.7 |
-8.8 |
0.363 |
24 |
0 |
0 |
0.145 |
13 |
|
[FAD]G:701 |
53 |
1 |
1006 |
cf |
G |
x,y,z |
1_555 |
105 |
42 |
24151 |
725.5 |
-8.8 |
0.379 |
24 |
0 |
0 |
0.145 |
14 |
|
[FAD]A:701 |
53 |
1 |
1004 |
cf |
A |
x,y,z |
1_555 |
104 |
43 |
24143 |
725.3 |
-8.9 |
0.363 |
24 |
0 |
0 |
0.145 |
| Average: |
726.6 |
-8.8 |
0.371 |
24 |
0 |
0 |
0.145 |
| 5 |
15 |
|
J |
77 |
20 |
24142 |
◊ |
G |
x,y,z |
1_555 |
76 |
20 |
24151 |
725.8 |
-2.3 |
0.503 |
16 |
4 |
0 |
0.024 |
16 |
|
D |
75 |
19 |
24166 |
◊ |
A |
x,y,z |
1_555 |
74 |
19 |
24143 |
716.6 |
-2.0 |
0.522 |
20 |
4 |
0 |
0.024 |
| Average: |
721.2 |
-2.2 |
0.512 |
18 |
4 |
0 |
0.024 |
| 6 |
17 |
|
[HEM]F:303 |
43 |
1 |
844 |
f |
F |
x,y,z |
1_555 |
100 |
32 |
15650 |
653.9 |
-27.3 |
0.480 |
3 |
0 |
0 |
0.389 |
18 |
|
[HEM]L:303 |
43 |
1 |
842 |
f |
L |
x,y,z |
1_555 |
95 |
32 |
15651 |
651.4 |
-27.3 |
0.456 |
3 |
0 |
0 |
0.389 |
19 |
|
[HEM]C:302 |
43 |
1 |
840 |
f |
C |
x,y,z |
1_555 |
95 |
32 |
15635 |
648.8 |
-27.2 |
0.455 |
3 |
0 |
0 |
0.389 |
20 |
|
[HEM]I:302 |
43 |
1 |
839 |
f |
I |
x,y,z |
1_555 |
95 |
32 |
15627 |
648.8 |
-27.2 |
0.448 |
3 |
0 |
0 |
0.389 |
| Average: |
650.7 |
-27.2 |
0.460 |
3 |
0 |
0 |
0.389 |
| 7 |
21 |
|
[HEM]L:302 |
43 |
1 |
812 |
f |
L |
x,y,z |
1_555 |
89 |
27 |
15651 |
584.3 |
-22.2 |
0.608 |
2 |
0 |
0 |
0.314 |
22 |
|
[HEM]F:302 |
43 |
1 |
813 |
f |
F |
x,y,z |
1_555 |
91 |
27 |
15650 |
583.3 |
-22.2 |
0.611 |
2 |
0 |
0 |
0.314 |
23 |
|
[HEM]C:301 |
43 |
1 |
813 |
f |
C |
x,y,z |
1_555 |
91 |
27 |
15635 |
583.1 |
-22.2 |
0.617 |
2 |
0 |
0 |
0.314 |
24 |
|
[HEM]I:301 |
43 |
1 |
815 |
f |
I |
x,y,z |
1_555 |
90 |
27 |
15627 |
582.8 |
-22.2 |
0.611 |
2 |
0 |
0 |
0.314 |
| Average: |
583.4 |
-22.2 |
0.612 |
2 |
0 |
0 |
0.314 |
| 8 |
25 |
|
F |
54 |
13 |
15650 |
◊ |
B |
x,y,z |
1_555 |
54 |
19 |
13046 |
548.8 |
-4.7 |
0.437 |
5 |
0 |
0 |
0.041 |
26 |
|
L |
54 |
13 |
15651 |
◊ |
H |
x,y,z |
1_555 |
54 |
19 |
13055 |
545.8 |
-4.7 |
0.443 |
4 |
0 |
0 |
0.041 |
27 |
|
C |
53 |
13 |
15635 |
◊ |
E |
x,y,z |
1_555 |
53 |
19 |
13053 |
542.2 |
-4.7 |
0.433 |
4 |
0 |
0 |
0.041 |
28 |
|
I |
55 |
13 |
15627 |
◊ |
K |
x,y,z |
1_555 |
50 |
18 |
13057 |
535.5 |
-4.6 |
0.436 |
4 |
0 |
0 |
0.041 |
| Average: |
543.1 |
-4.7 |
0.437 |
4 |
0 |
0 |
0.041 |
| 9 |
29 |
|
D |
31 |
10 |
24166 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
43 |
14 |
24142 |
360.2 |
-2.1 |
0.407 |
1 |
1 |
0 |
0.000 |
| 10 |
30 |
|
A |
37 |
14 |
24143 |
◊ |
J |
x,y,z-1 |
1_554 |
33 |
13 |
24142 |
311.5 |
-0.5 |
0.559 |
3 |
0 |
0 |
0.000 |
31 |
|
D |
29 |
12 |
24166 |
◊ |
G |
x-1,y,z |
1_455 |
28 |
11 |
24151 |
277.6 |
-0.9 |
0.490 |
3 |
0 |
0 |
0.000 |
| Average: |
294.6 |
-0.7 |
0.525 |
3 |
0 |
0 |
0.000 |
| 11 |
32 |
|
[LMT]C:303 |
22 |
1 |
771 |
◊ |
F |
x,y,z |
1_555 |
45 |
10 |
15650 |
269.1 |
0.4 |
0.699 |
0 |
0 |
0 |
0.000 |
33 |
|
[LMT]I:303 |
22 |
1 |
772 |
◊ |
L |
x,y,z |
1_555 |
46 |
10 |
15651 |
268.2 |
0.4 |
0.712 |
0 |
0 |
0 |
0.000 |
34 |
|
[LMT]L:301 |
22 |
1 |
774 |
◊ |
I |
x,y,z |
1_555 |
46 |
11 |
15627 |
266.4 |
0.5 |
0.710 |
0 |
0 |
0 |
0.000 |
35 |
|
[LMT]F:301 |
22 |
1 |
769 |
◊ |
C |
x,y,z |
1_555 |
47 |
11 |
15635 |
266.4 |
0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
| Average: |
267.5 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
| 12 |
36 |
|
[LMT]F:301 |
24 |
1 |
769 |
f |
F |
x,y,z |
1_555 |
17 |
6 |
15650 |
233.4 |
0.1 |
0.098 |
0 |
0 |
0 |
0.000 |
37 |
|
[LMT]L:301 |
25 |
1 |
774 |
f |
L |
x,y,z |
1_555 |
17 |
6 |
15651 |
232.3 |
0.1 |
0.101 |
0 |
0 |
0 |
0.000 |
38 |
|
[LMT]I:303 |
24 |
1 |
772 |
f |
I |
x,y,z |
1_555 |
17 |
6 |
15627 |
231.8 |
0.0 |
0.100 |
0 |
0 |
0 |
0.000 |
39 |
|
[LMT]C:303 |
24 |
1 |
771 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
15635 |
231.7 |
0.1 |
0.118 |
0 |
0 |
0 |
0.000 |
| Average: |
232.3 |
0.1 |
0.104 |
0 |
0 |
0 |
0.000 |
| 13 |
40 |
|
[SF4]B:303 |
8 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
23 |
14 |
13046 |
176.9 |
-21.1 |
0.375 |
1 |
0 |
0 |
0.161 |
41 |
|
[SF4]E:303 |
8 |
1 |
304 |
f |
E |
x,y,z |
1_555 |
23 |
13 |
13053 |
176.8 |
-21.0 |
0.381 |
1 |
0 |
0 |
0.161 |
42 |
|
[SF4]K:303 |
8 |
1 |
305 |
f |
K |
x,y,z |
1_555 |
22 |
14 |
13057 |
176.5 |
-21.1 |
0.375 |
1 |
0 |
0 |
0.161 |
43 |
|
[SF4]H:303 |
8 |
1 |
304 |
f |
H |
x,y,z |
1_555 |
23 |
14 |
13055 |
176.5 |
-21.1 |
0.385 |
1 |
0 |
0 |
0.161 |
| Average: |
176.7 |
-21.1 |
0.379 |
1 |
0 |
0 |
0.161 |
| 14 |
44 |
|
[F3S]K:302 |
7 |
1 |
301 |
f |
K |
x,y,z |
1_555 |
26 |
13 |
13057 |
176.5 |
-18.9 |
0.410 |
4 |
0 |
0 |
0.155 |
45 |
|
[F3S]B:302 |
7 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
26 |
12 |
13046 |
176.1 |
-18.8 |
0.412 |
4 |
0 |
0 |
0.155 |
46 |
|
[F3S]H:302 |
7 |
1 |
301 |
f |
H |
x,y,z |
1_555 |
24 |
13 |
13055 |
175.2 |
-18.7 |
0.361 |
4 |
0 |
0 |
0.155 |
47 |
|
[F3S]E:302 |
7 |
1 |
299 |
f |
E |
x,y,z |
1_555 |
28 |
13 |
13053 |
174.6 |
-18.7 |
0.427 |
4 |
0 |
0 |
0.155 |
| Average: |
175.6 |
-18.8 |
0.402 |
4 |
0 |
0 |
0.155 |
| 15 |
48 |
|
B |
23 |
10 |
13046 |
◊ |
G |
x-1,y,z-1 |
1_454 |
16 |
7 |
24151 |
134.2 |
1.4 |
0.768 |
0 |
1 |
0 |
0.000 |
| 16 |
49 |
|
D |
12 |
5 |
24166 |
◊ |
E |
x-1,y,z |
1_455 |
17 |
5 |
13053 |
130.6 |
-0.3 |
0.575 |
1 |
0 |
0 |
0.000 |
| 17 |
50 |
|
[FES]K:301 |
4 |
1 |
236 |
f |
K |
x,y,z |
1_555 |
9 |
9 |
13057 |
121.0 |
-16.4 |
0.633 |
2 |
0 |
0 |
0.130 |
51 |
|
[FES]B:301 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
9 |
9 |
13046 |
120.3 |
-16.4 |
0.624 |
2 |
0 |
0 |
0.130 |
52 |
|
[FES]H:301 |
4 |
1 |
235 |
f |
H |
x,y,z |
1_555 |
9 |
9 |
13055 |
120.1 |
-16.3 |
0.628 |
2 |
0 |
0 |
0.130 |
53 |
|
[FES]E:301 |
4 |
1 |
234 |
f |
E |
x,y,z |
1_555 |
10 |
9 |
13053 |
120.0 |
-16.3 |
0.630 |
2 |
0 |
0 |
0.130 |
| Average: |
120.4 |
-16.4 |
0.629 |
2 |
0 |
0 |
0.130 |
| 18 |
54 |
|
[MLA]D:702 |
7 |
1 |
226 |
f |
D |
x,y,z |
1_555 |
19 |
12 |
24166 |
110.9 |
-5.8 |
0.308 |
7 |
0 |
0 |
0.066 |
55 |
|
[MLA]A:702 |
7 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
24143 |
110.4 |
-5.7 |
0.312 |
7 |
0 |
0 |
0.066 |
56 |
|
[MLA]G:702 |
7 |
1 |
223 |
f |
G |
x,y,z |
1_555 |
20 |
12 |
24151 |
110.1 |
-5.8 |
0.294 |
7 |
0 |
0 |
0.066 |
57 |
|
[MLA]J:702 |
7 |
1 |
224 |
f |
J |
x,y,z |
1_555 |
20 |
12 |
24142 |
109.0 |
-5.2 |
0.421 |
7 |
0 |
0 |
0.066 |
| Average: |
110.1 |
-5.6 |
0.334 |
7 |
0 |
0 |
0.066 |
| 19 |
58 |
|
C |
6 |
2 |
15635 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
12 |
3 |
15651 |
74.9 |
-0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
| 20 |
59 |
|
[NA]G:703 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
14 |
10 |
24151 |
69.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.092 |
60 |
|
[NA]D:703 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
10 |
24166 |
69.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.092 |
61 |
|
[NA]J:703 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
13 |
9 |
24142 |
69.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.092 |
62 |
|
[NA]A:703 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
24143 |
69.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
69.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.092 |
| 21 |
63 |
|
A |
5 |
2 |
24143 |
◊ |
J |
x-1,y,z-1 |
1_454 |
8 |
4 |
24142 |
58.6 |
0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
| 22 |
64 |
|
F |
7 |
2 |
15650 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
15627 |
58.0 |
-0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
| 23 |
65 |
|
[MLA]D:702 |
6 |
1 |
226 |
f |
[FAD]D:701 |
x,y,z |
1_555 |
10 |
1 |
1007 |
52.2 |
-0.9 |
0.751 |
0 |
0 |
0 |
0.006 |
66 |
|
[MLA]G:702 |
6 |
1 |
223 |
f |
[FAD]G:701 |
x,y,z |
1_555 |
10 |
1 |
1006 |
51.7 |
-0.8 |
0.756 |
0 |
0 |
0 |
0.006 |
67 |
|
[MLA]J:702 |
6 |
1 |
224 |
f |
[FAD]J:701 |
x,y,z |
1_555 |
11 |
1 |
1006 |
51.3 |
-0.9 |
0.753 |
0 |
0 |
0 |
0.006 |
68 |
|
[MLA]A:702 |
6 |
1 |
224 |
f |
[FAD]A:701 |
x,y,z |
1_555 |
11 |
1 |
1004 |
51.3 |
-0.9 |
0.762 |
0 |
0 |
0 |
0.006 |
| Average: |
51.6 |
-0.9 |
0.755 |
0 |
0 |
0 |
0.006 |
| 24 |
69 |
|
[HEM]I:301 |
4 |
1 |
815 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
13055 |
32.8 |
-2.1 |
0.321 |
0 |
0 |
0 |
0.016 |
70 |
|
[HEM]L:302 |
4 |
1 |
812 |
◊ |
K |
x,y,z |
1_555 |
6 |
1 |
13057 |
32.7 |
-2.1 |
0.318 |
0 |
0 |
0 |
0.016 |
71 |
|
[HEM]C:301 |
4 |
1 |
813 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
13046 |
32.7 |
-2.1 |
0.317 |
0 |
0 |
0 |
0.016 |
72 |
|
[HEM]F:302 |
4 |
1 |
813 |
◊ |
E |
x,y,z |
1_555 |
6 |
1 |
13053 |
32.5 |
-2.1 |
0.318 |
0 |
0 |
0 |
0.016 |
| Average: |
32.7 |
-2.1 |
0.319 |
0 |
0 |
0 |
0.016 |
| 25 |
73 |
|
[HEM]C:302 |
3 |
1 |
840 |
f |
[HEM]C:301 |
x,y,z |
1_555 |
3 |
1 |
813 |
30.6 |
-1.0 |
0.776 |
0 |
0 |
0 |
0.013 |
74 |
|
[HEM]L:303 |
3 |
1 |
842 |
f |
[HEM]L:302 |
x,y,z |
1_555 |
3 |
1 |
812 |
30.5 |
-1.0 |
0.777 |
0 |
0 |
0 |
0.013 |
75 |
|
[HEM]F:303 |
3 |
1 |
844 |
f |
[HEM]F:302 |
x,y,z |
1_555 |
3 |
1 |
813 |
30.5 |
-1.0 |
0.778 |
0 |
0 |
0 |
0.013 |
76 |
|
[HEM]I:302 |
3 |
1 |
839 |
f |
[HEM]I:301 |
x,y,z |
1_555 |
3 |
1 |
815 |
30.4 |
-1.0 |
0.773 |
0 |
0 |
0 |
0.013 |
| Average: |
30.5 |
-1.0 |
0.776 |
0 |
0 |
0 |
0.013 |
| 26 |
77 |
|
F |
3 |
1 |
15650 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
15651 |
24.6 |
0.2 |
0.805 |
0 |
0 |
0 |
0.000 |
| 27 |
78 |
|
[HEM]I:301 |
2 |
1 |
815 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
15651 |
7.9 |
-0.3 |
0.541 |
0 |
0 |
0 |
0.003 |
79 |
|
[HEM]L:302 |
2 |
1 |
812 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
15627 |
7.8 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.003 |
80 |
|
[HEM]F:302 |
2 |
1 |
813 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15635 |
7.6 |
-0.2 |
0.541 |
0 |
0 |
0 |
0.003 |
81 |
|
[HEM]C:301 |
2 |
1 |
813 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
15650 |
7.3 |
-0.2 |
0.553 |
0 |
0 |
0 |
0.003 |
| Average: |
7.7 |
-0.2 |
0.542 |
0 |
0 |
0 |
0.003 |
| 28 |
82 |
|
[FAD]G:701 |
1 |
1 |
1006 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
13055 |
5.3 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.001 |
83 |
|
[FAD]A:701 |
1 |
1 |
1004 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13046 |
5.2 |
-0.2 |
0.366 |
0 |
0 |
0 |
0.001 |
84 |
|
[FAD]J:701 |
1 |
1 |
1006 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
13057 |
5.2 |
-0.2 |
0.364 |
0 |
0 |
0 |
0.001 |
85 |
|
[FAD]D:701 |
1 |
1 |
1007 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13053 |
5.2 |
-0.2 |
0.367 |
0 |
0 |
0 |
0.001 |
| Average: |
5.2 |
-0.1 |
0.416 |
0 |
0 |
0 |
0.001 |
| 29 |
86 |
|
D |
1 |
1 |
24166 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
24166 |
4.9 |
0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
| 30 |
87 |
|
[F3S]H:302 |
1 |
1 |
301 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
15627 |
2.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
88 |
|
[F3S]E:302 |
1 |
1 |
299 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
15650 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
89 |
|
[F3S]K:302 |
1 |
1 |
301 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
15651 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
90 |
|
[F3S]B:302 |
1 |
1 |
300 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
15635 |
1.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|