## |
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 |
199 |
54 |
17174 |
◊ |
A |
x,y,z |
1_555 |
198 |
56 |
17524 |
1882.8 |
-22.1 |
0.047 |
13 |
8 |
0 |
0.242 |
2 |
|
H |
191 |
54 |
17345 |
◊ |
G |
x,y,z |
1_555 |
201 |
55 |
17033 |
1862.0 |
-21.6 |
0.041 |
19 |
9 |
0 |
0.242 |
3 |
|
E |
204 |
56 |
17136 |
◊ |
D |
x,y,z |
1_555 |
198 |
55 |
17087 |
1858.1 |
-21.2 |
0.057 |
19 |
9 |
0 |
0.242 |
4 |
|
J |
198 |
53 |
16978 |
◊ |
I |
x,y,z |
1_555 |
198 |
52 |
17261 |
1826.3 |
-22.6 |
0.042 |
16 |
9 |
0 |
0.242 |
Average: |
1857.3 |
-21.9 |
0.047 |
17 |
9 |
0 |
0.242 |
2 |
5 |
|
E |
161 |
42 |
17136 |
◊ |
B |
x,y,z |
1_555 |
160 |
43 |
17174 |
1431.9 |
-11.7 |
0.249 |
15 |
21 |
0 |
0.198 |
6 |
|
I |
159 |
44 |
17261 |
◊ |
G |
x,y,z |
1_555 |
157 |
42 |
17033 |
1431.2 |
-12.2 |
0.208 |
16 |
18 |
0 |
0.198 |
7 |
|
D |
157 |
42 |
17087 |
◊ |
A |
x,y,z |
1_555 |
153 |
41 |
17524 |
1397.0 |
-12.7 |
0.175 |
16 |
18 |
0 |
0.198 |
8 |
|
J |
156 |
42 |
16978 |
◊ |
H |
x,y,z |
1_555 |
150 |
41 |
17345 |
1392.2 |
-11.8 |
0.210 |
13 |
17 |
0 |
0.198 |
Average: |
1413.1 |
-12.1 |
0.210 |
15 |
19 |
0 |
0.198 |
3 |
9 |
|
G |
84 |
24 |
17033 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
62 |
15 |
16978 |
716.4 |
0.1 |
0.686 |
7 |
6 |
0 |
0.000 |
10 |
|
B |
84 |
24 |
17174 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
63 |
15 |
17087 |
700.0 |
0.8 |
0.685 |
8 |
7 |
0 |
0.000 |
Average: |
708.2 |
0.5 |
0.686 |
8 |
7 |
0 |
0.000 |
4 |
11 |
|
J |
79 |
23 |
16978 |
◊ |
B |
x,y,z |
1_555 |
71 |
23 |
17174 |
626.1 |
6.9 |
0.950 |
9 |
8 |
0 |
0.000 |
5 |
12 |
|
G |
50 |
13 |
17033 |
◊ |
D |
x-1,y,z-1 |
1_454 |
56 |
18 |
17087 |
474.1 |
6.7 |
0.954 |
6 |
2 |
0 |
0.000 |
6 |
13 |
|
[FMN]J:3702 |
30 |
1 |
644 |
f |
J |
x,y,z |
1_555 |
59 |
18 |
16978 |
382.6 |
-8.7 |
0.347 |
19 |
0 |
0 |
0.286 |
14 |
|
[FMN]D:2701 |
30 |
1 |
640 |
f |
D |
x,y,z |
1_555 |
56 |
18 |
17087 |
380.0 |
-8.8 |
0.316 |
18 |
0 |
0 |
0.286 |
15 |
|
[FMN]H:1702 |
30 |
1 |
637 |
f |
H |
x,y,z |
1_555 |
53 |
18 |
17345 |
378.3 |
-8.5 |
0.356 |
19 |
0 |
0 |
0.286 |
16 |
|
[FMN]E:3701 |
30 |
1 |
629 |
f |
E |
x,y,z |
1_555 |
55 |
18 |
17136 |
377.4 |
-8.1 |
0.391 |
19 |
0 |
0 |
0.286 |
17 |
|
[FMN]I:2702 |
30 |
1 |
635 |
f |
I |
x,y,z |
1_555 |
53 |
17 |
17261 |
377.3 |
-8.3 |
0.360 |
17 |
0 |
0 |
0.286 |
18 |
|
[FMN]A:701 |
30 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
54 |
17 |
17524 |
376.3 |
-8.6 |
0.329 |
18 |
0 |
0 |
0.286 |
19 |
|
[FMN]B:1701 |
30 |
1 |
634 |
f |
B |
x,y,z |
1_555 |
55 |
18 |
17174 |
371.9 |
-7.7 |
0.422 |
16 |
0 |
0 |
0.286 |
20 |
|
[FMN]G:702 |
30 |
1 |
634 |
f |
G |
x,y,z |
1_555 |
48 |
17 |
17033 |
371.5 |
-7.7 |
0.368 |
17 |
0 |
0 |
0.286 |
Average: |
376.9 |
-8.3 |
0.361 |
18 |
0 |
0 |
0.286 |
7 |
21 |
|
J |
34 |
9 |
16978 |
◊ |
E |
x-1,y,z |
1_455 |
41 |
12 |
17136 |
331.1 |
1.3 |
0.711 |
1 |
1 |
0 |
0.000 |
8 |
22 |
|
I |
24 |
10 |
17261 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
9 |
17087 |
178.4 |
-0.1 |
0.567 |
2 |
2 |
0 |
0.000 |
9 |
23 |
|
G |
18 |
4 |
17033 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
7 |
17136 |
168.7 |
1.4 |
0.737 |
2 |
2 |
0 |
0.000 |
10 |
24 |
|
A |
23 |
10 |
17524 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
24 |
9 |
17136 |
157.6 |
-0.5 |
0.564 |
0 |
0 |
0 |
0.000 |
25 |
|
H |
12 |
7 |
17345 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
17261 |
94.6 |
-0.4 |
0.537 |
0 |
0 |
0 |
0.000 |
Average: |
126.1 |
-0.4 |
0.551 |
0 |
0 |
0 |
0.000 |
11 |
26 |
|
I |
19 |
6 |
17261 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
2 |
17174 |
139.4 |
-0.4 |
0.505 |
0 |
1 |
0 |
0.000 |
12 |
27 |
|
H |
16 |
4 |
17345 |
◊ |
E |
x,y,z |
1_555 |
15 |
5 |
17136 |
138.6 |
3.0 |
0.892 |
0 |
1 |
0 |
0.000 |
13 |
28 |
|
[FMN]G:702 |
14 |
1 |
634 |
◊ |
H |
x,y,z |
1_555 |
19 |
7 |
17345 |
133.3 |
-1.8 |
0.514 |
0 |
0 |
0 |
0.023 |
29 |
|
[FMN]D:2701 |
17 |
1 |
640 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
17136 |
132.9 |
-2.0 |
0.424 |
0 |
0 |
0 |
0.023 |
30 |
|
[FMN]I:2702 |
15 |
1 |
635 |
◊ |
J |
x,y,z |
1_555 |
25 |
8 |
16978 |
131.5 |
-1.5 |
0.483 |
0 |
0 |
0 |
0.023 |
31 |
|
[FMN]B:1701 |
15 |
1 |
634 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
17524 |
129.1 |
-1.3 |
0.510 |
0 |
0 |
0 |
0.023 |
32 |
|
[FMN]J:3702 |
14 |
1 |
644 |
◊ |
I |
x,y,z |
1_555 |
20 |
8 |
17261 |
127.7 |
-1.7 |
0.469 |
0 |
0 |
0 |
0.023 |
33 |
|
[FMN]H:1702 |
15 |
1 |
637 |
◊ |
G |
x,y,z |
1_555 |
19 |
6 |
17033 |
126.8 |
-0.8 |
0.598 |
0 |
0 |
0 |
0.023 |
34 |
|
[FMN]A:701 |
13 |
1 |
636 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
17174 |
121.6 |
-1.4 |
0.506 |
0 |
0 |
0 |
0.023 |
35 |
|
[FMN]E:3701 |
14 |
1 |
629 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
17087 |
119.4 |
-0.7 |
0.675 |
0 |
0 |
0 |
0.023 |
Average: |
127.8 |
-1.4 |
0.523 |
0 |
0 |
0 |
0.023 |
14 |
36 |
|
I |
14 |
3 |
17261 |
◊ |
A |
x-1,y,z-1 |
1_454 |
12 |
4 |
17524 |
125.2 |
1.9 |
0.827 |
1 |
3 |
0 |
0.000 |
15 |
37 |
|
H |
16 |
6 |
17345 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
19 |
9 |
16978 |
123.8 |
-1.1 |
0.360 |
1 |
0 |
0 |
0.000 |
38 |
|
A |
12 |
7 |
17524 |
◊ |
D |
-x+3,y-1/2,-z+2 |
2_847 |
15 |
8 |
17087 |
106.0 |
-0.6 |
0.510 |
1 |
0 |
0 |
0.000 |
Average: |
114.9 |
-0.8 |
0.435 |
1 |
0 |
0 |
0.000 |
16 |
39 |
|
B |
15 |
5 |
17174 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
17524 |
96.0 |
0.5 |
0.494 |
0 |
0 |
0 |
0.000 |
40 |
|
G |
3 |
2 |
17033 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
1 |
17345 |
26.3 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
Average: |
61.2 |
0.4 |
0.606 |
0 |
0 |
0 |
0.000 |
17 |
41 |
|
G |
10 |
2 |
17033 |
◊ |
A |
x-1,y,z-1 |
1_454 |
14 |
5 |
17524 |
95.3 |
2.2 |
0.871 |
2 |
3 |
0 |
0.000 |
18 |
42 |
|
H |
10 |
5 |
17345 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
17174 |
74.0 |
1.9 |
0.831 |
2 |
1 |
0 |
0.000 |
43 |
|
J |
7 |
3 |
16978 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
17136 |
52.0 |
1.4 |
0.843 |
1 |
0 |
0 |
0.000 |
Average: |
63.0 |
1.7 |
0.837 |
2 |
1 |
0 |
0.000 |
19 |
44 |
|
[CL]J:3505 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
7 |
16978 |
67.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.059 |
20 |
45 |
|
[FE]E:3503 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
17136 |
65.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.206 |
46 |
|
[FE]I:2503 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
10 |
7 |
17261 |
60.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.206 |
47 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
17524 |
59.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.206 |
48 |
|
[FE]J:3503 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
7 |
4 |
16978 |
59.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.206 |
49 |
|
[FE]H:1503 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
9 |
4 |
17345 |
57.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.206 |
50 |
|
[FE]D:2503 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
17087 |
57.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.206 |
51 |
|
[FE]G:503 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
8 |
7 |
17033 |
57.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.206 |
52 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
17174 |
56.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.206 |
Average: |
59.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.206 |
21 |
53 |
|
[FE]E:3501 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
17136 |
65.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.231 |
54 |
|
[FE]I:2501 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
14 |
9 |
17261 |
64.3 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.231 |
55 |
|
[FE]G:501 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
10 |
9 |
17033 |
62.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.231 |
56 |
|
[FE]D:2501 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
17087 |
62.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.231 |
57 |
|
[FE]H:1501 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
11 |
8 |
17345 |
62.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.231 |
58 |
|
[FE]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17524 |
61.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.231 |
59 |
|
[FE]B:1501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
17174 |
60.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.231 |
60 |
|
[FE]J:3501 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
10 |
6 |
16978 |
60.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.231 |
Average: |
62.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.231 |
22 |
61 |
|
[CL]H:1504 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
17345 |
62.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.057 |
23 |
62 |
|
[CL]J:3504 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
6 |
4 |
16978 |
57.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.056 |
63 |
|
[CL]D:2504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
17087 |
55.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
56.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.056 |
24 |
64 |
|
A |
4 |
2 |
17524 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
3 |
17174 |
46.5 |
1.8 |
0.858 |
1 |
1 |
0 |
0.000 |
65 |
|
H |
4 |
3 |
17345 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
17033 |
44.3 |
1.4 |
0.841 |
0 |
2 |
0 |
0.000 |
Average: |
45.4 |
1.6 |
0.850 |
1 |
2 |
0 |
0.000 |
25 |
66 |
|
G |
4 |
1 |
17033 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
4 |
1 |
17136 |
40.7 |
0.5 |
0.751 |
0 |
2 |
0 |
0.000 |
26 |
67 |
|
I |
3 |
1 |
17261 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
17524 |
28.4 |
0.6 |
0.823 |
1 |
0 |
0 |
0.000 |
27 |
68 |
|
[CL]J:3505 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
17345 |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.024 |
28 |
69 |
|
[FE]J:3503 |
1 |
1 |
137 |
f |
[FE]J:3501 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.041 |
29 |
70 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
[FE]A:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.045 |
30 |
71 |
|
A |
2 |
2 |
17524 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
2 |
17087 |
24.9 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
72 |
|
H |
1 |
1 |
17345 |
◊ |
J |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
16978 |
3.9 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
14.4 |
0.0 |
0.521 |
0 |
0 |
0 |
0.000 |
31 |
73 |
|
H |
2 |
1 |
17345 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
2 |
17136 |
24.6 |
0.9 |
0.867 |
0 |
0 |
0 |
0.000 |
32 |
74 |
|
[FE]D:2503 |
1 |
1 |
137 |
f |
[FE]D:2501 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.042 |
33 |
75 |
|
[FE]H:1503 |
1 |
1 |
137 |
f |
[FE]H:1501 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.037 |
34 |
76 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
[FE]B:1501 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.044 |
35 |
77 |
|
[FE]G:503 |
1 |
1 |
137 |
f |
[FE]G:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.044 |
36 |
78 |
|
[FE]E:3503 |
1 |
1 |
137 |
f |
[FE]E:3501 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.044 |
37 |
79 |
|
[FE]I:2503 |
1 |
1 |
137 |
f |
[FE]I:2501 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.041 |
38 |
80 |
|
[CL]H:1504 |
1 |
1 |
125 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
17261 |
13.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
81 |
|
[FMN]G:702 |
2 |
1 |
634 |
◊ |
[FE]H:1503 |
x,y,z |
1_555 |
1 |
1 |
137 |
11.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
82 |
|
[FMN]A:701 |
1 |
1 |
636 |
◊ |
[FE]B:1503 |
x,y,z |
1_555 |
1 |
1 |
137 |
9.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
83 |
|
[FMN]D:2701 |
3 |
1 |
640 |
◊ |
[FE]E:3503 |
x,y,z |
1_555 |
1 |
1 |
137 |
9.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
84 |
|
[FMN]E:3701 |
3 |
1 |
629 |
◊ |
[FE]D:2503 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
85 |
|
[FMN]B:1701 |
2 |
1 |
634 |
◊ |
[FE]A:503 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
86 |
|
[FMN]J:3702 |
2 |
1 |
644 |
◊ |
[FE]I:2503 |
x,y,z |
1_555 |
1 |
1 |
137 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
87 |
|
[FMN]H:1702 |
3 |
1 |
637 |
◊ |
[FE]G:503 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
8.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
40 |
88 |
|
H |
3 |
2 |
17345 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
17136 |
9.0 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
41 |
89 |
|
B |
2 |
1 |
17174 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
17087 |
2.7 |
-0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
|