| ## |
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 |
|
F |
128 |
35 |
22018 |
◊ |
A |
x,y,z |
1_555 |
128 |
36 |
21988 |
1214.7 |
-7.4 |
0.383 |
10 |
0 |
0 |
0.119 |
2 |
|
E |
129 |
35 |
21946 |
◊ |
C |
x,y,z |
1_555 |
126 |
36 |
21986 |
1201.6 |
-7.1 |
0.388 |
10 |
0 |
0 |
0.119 |
3 |
|
D |
126 |
35 |
22011 |
◊ |
B |
x,y,z |
1_555 |
130 |
35 |
21880 |
1193.7 |
-7.2 |
0.385 |
10 |
0 |
0 |
0.119 |
4 |
|
H |
124 |
35 |
21973 |
◊ |
G |
x,y,z |
1_555 |
129 |
35 |
22042 |
1189.6 |
-6.6 |
0.415 |
10 |
0 |
0 |
0.119 |
| Average: |
1199.9 |
-7.1 |
0.393 |
10 |
0 |
0 |
0.119 |
| 2 |
5 |
|
G |
89 |
21 |
22042 |
◊ |
C |
x,y-1,z |
1_545 |
87 |
21 |
21986 |
917.9 |
-13.8 |
0.025 |
8 |
6 |
0 |
0.233 |
6 |
|
F |
87 |
20 |
22018 |
◊ |
D |
x,y,z |
1_555 |
86 |
21 |
22011 |
904.2 |
-14.2 |
0.020 |
6 |
5 |
0 |
0.233 |
7 |
|
B |
88 |
20 |
21880 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
21988 |
897.9 |
-13.8 |
0.023 |
5 |
5 |
0 |
0.233 |
8 |
|
H |
87 |
21 |
21973 |
◊ |
E |
x,y-1,z |
1_545 |
86 |
20 |
21946 |
897.8 |
-13.8 |
0.024 |
4 |
4 |
0 |
0.233 |
| Average: |
904.5 |
-13.9 |
0.023 |
6 |
5 |
0 |
0.233 |
| 3 |
9 |
|
[FAD]G:607 |
52 |
1 |
1002 |
f |
G |
x,y,z |
1_555 |
104 |
39 |
22042 |
707.6 |
-7.4 |
0.518 |
13 |
0 |
0 |
0.343 |
10 |
|
[FAD]H:605 |
52 |
1 |
1001 |
f |
H |
x,y,z |
1_555 |
105 |
41 |
21973 |
706.1 |
-7.9 |
0.492 |
13 |
0 |
0 |
0.343 |
11 |
|
[FAD]B:604 |
52 |
1 |
1003 |
f |
B |
x,y,z |
1_555 |
107 |
42 |
21880 |
705.1 |
-8.1 |
0.489 |
13 |
0 |
0 |
0.343 |
12 |
|
[FAD]A:602 |
52 |
1 |
1002 |
f |
A |
x,y,z |
1_555 |
107 |
41 |
21988 |
704.1 |
-7.6 |
0.516 |
13 |
0 |
0 |
0.343 |
13 |
|
[FAD]F:603 |
52 |
1 |
999 |
f |
F |
x,y,z |
1_555 |
107 |
42 |
22018 |
703.1 |
-7.7 |
0.522 |
14 |
0 |
0 |
0.343 |
14 |
|
[FAD]E:606 |
52 |
1 |
997 |
f |
E |
x,y,z |
1_555 |
106 |
40 |
21946 |
702.4 |
-7.3 |
0.524 |
13 |
0 |
0 |
0.343 |
15 |
|
[FAD]C:600 |
52 |
1 |
994 |
f |
C |
x,y,z |
1_555 |
106 |
42 |
21986 |
701.9 |
-7.8 |
0.509 |
13 |
0 |
0 |
0.343 |
16 |
|
[FAD]D:601 |
51 |
1 |
996 |
f |
D |
x,y,z |
1_555 |
105 |
41 |
22011 |
701.7 |
-7.5 |
0.510 |
15 |
0 |
0 |
0.343 |
| Average: |
704.0 |
-7.7 |
0.510 |
13 |
0 |
0 |
0.343 |
| 4 |
17 |
|
E |
52 |
16 |
21946 |
◊ |
D |
x,y,z-1 |
1_554 |
38 |
8 |
22011 |
398.1 |
0.9 |
0.701 |
8 |
0 |
0 |
0.000 |
18 |
|
C |
35 |
8 |
21986 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
21880 |
385.8 |
-0.2 |
0.642 |
8 |
0 |
0 |
0.000 |
19 |
|
H |
36 |
8 |
21973 |
◊ |
F |
x,y,z-1 |
1_554 |
51 |
15 |
22018 |
385.0 |
0.5 |
0.671 |
7 |
0 |
0 |
0.000 |
20 |
|
G |
50 |
16 |
22042 |
◊ |
A |
x,y,z |
1_555 |
36 |
8 |
21988 |
381.3 |
0.8 |
0.674 |
10 |
0 |
0 |
0.000 |
| Average: |
387.5 |
0.5 |
0.672 |
8 |
0 |
0 |
0.000 |
| 5 |
21 |
|
E |
40 |
13 |
21946 |
◊ |
C |
x-1,y,z |
1_455 |
39 |
11 |
21986 |
385.8 |
3.0 |
0.865 |
6 |
1 |
0 |
0.000 |
22 |
|
A |
36 |
13 |
21988 |
◊ |
F |
x-1,y,z |
1_455 |
35 |
9 |
22018 |
348.0 |
2.5 |
0.854 |
4 |
0 |
0 |
0.000 |
| Average: |
366.9 |
2.8 |
0.860 |
5 |
1 |
0 |
0.000 |
| 6 |
23 |
|
[UDP]C:800 |
25 |
1 |
525 |
f |
C |
x,y,z |
1_555 |
55 |
23 |
21986 |
378.7 |
-6.1 |
0.686 |
10 |
0 |
0 |
0.268 |
24 |
|
[UDP]B:800 |
25 |
1 |
520 |
f |
B |
x,y,z |
1_555 |
54 |
26 |
21880 |
377.7 |
-6.6 |
0.661 |
7 |
0 |
0 |
0.268 |
25 |
|
[UDP]G:800 |
25 |
1 |
522 |
f |
G |
x,y,z |
1_555 |
55 |
23 |
22042 |
377.0 |
-6.4 |
0.673 |
9 |
0 |
0 |
0.268 |
26 |
|
[UDP]A:800 |
25 |
1 |
519 |
f |
A |
x,y,z |
1_555 |
53 |
22 |
21988 |
376.6 |
-6.4 |
0.669 |
8 |
0 |
0 |
0.268 |
27 |
|
[UDP]F:800 |
25 |
1 |
520 |
f |
F |
x,y,z |
1_555 |
54 |
22 |
22018 |
376.5 |
-6.3 |
0.684 |
9 |
0 |
0 |
0.268 |
28 |
|
[UDP]H:800 |
25 |
1 |
518 |
f |
H |
x,y,z |
1_555 |
54 |
23 |
21973 |
374.0 |
-6.5 |
0.660 |
9 |
0 |
0 |
0.268 |
29 |
|
[UDP]D:800 |
25 |
1 |
514 |
f |
D |
x,y,z |
1_555 |
54 |
23 |
22011 |
372.4 |
-6.8 |
0.678 |
8 |
0 |
0 |
0.268 |
30 |
|
[UDP]E:800 |
25 |
1 |
505 |
f |
E |
x,y,z |
1_555 |
54 |
24 |
21946 |
367.1 |
-6.2 |
0.659 |
9 |
0 |
0 |
0.268 |
| Average: |
375.0 |
-6.4 |
0.671 |
9 |
0 |
0 |
0.268 |
| 7 |
31 |
|
F |
31 |
8 |
22018 |
◊ |
B |
x,y-1,z |
1_545 |
31 |
8 |
21880 |
284.7 |
-0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
32 |
|
G |
29 |
8 |
22042 |
◊ |
E |
x,y,z |
1_555 |
30 |
8 |
21946 |
281.3 |
0.1 |
0.675 |
1 |
0 |
0 |
0.000 |
| Average: |
283.0 |
0.0 |
0.669 |
1 |
0 |
0 |
0.000 |
| 8 |
33 |
|
C |
30 |
10 |
21986 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
7 |
21880 |
255.9 |
1.7 |
0.804 |
3 |
1 |
0 |
0.000 |
| 9 |
34 |
|
D |
23 |
8 |
22011 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
9 |
21880 |
199.1 |
1.4 |
0.798 |
0 |
0 |
0 |
0.000 |
| 10 |
35 |
|
G |
22 |
8 |
22042 |
◊ |
A |
x-1,y,z |
1_455 |
20 |
8 |
21988 |
175.5 |
1.9 |
0.840 |
1 |
0 |
0 |
0.000 |
| 11 |
36 |
|
G |
15 |
6 |
22042 |
◊ |
H |
x-1,y,z |
1_455 |
19 |
7 |
21973 |
130.7 |
-0.7 |
0.521 |
1 |
0 |
0 |
0.000 |
| 12 |
37 |
|
[CL]C:1 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
21986 |
76.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.134 |
38 |
|
[CL]F:1 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
22018 |
76.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.134 |
39 |
|
[CL]H:1 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
21973 |
75.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.134 |
40 |
|
[CL]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
21988 |
75.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.134 |
| Average: |
76.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.134 |
| 13 |
41 |
|
[CL]F:512 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
22018 |
59.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.148 |
42 |
|
[CL]B:1 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
21880 |
54.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.148 |
43 |
|
[CL]E:1 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
21946 |
54.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.148 |
44 |
|
[CL]A:512 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21988 |
54.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.148 |
| Average: |
55.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.148 |
| 14 |
45 |
|
G |
5 |
2 |
22042 |
◊ |
E |
x,y-1,z |
1_545 |
5 |
2 |
21946 |
43.2 |
-1.2 |
0.136 |
0 |
0 |
0 |
0.012 |
46 |
|
D |
4 |
1 |
22011 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
21988 |
41.9 |
-1.2 |
0.094 |
0 |
0 |
0 |
0.012 |
47 |
|
H |
4 |
1 |
21973 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
21986 |
41.8 |
-1.2 |
0.098 |
0 |
0 |
0 |
0.012 |
48 |
|
F |
4 |
1 |
22018 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
21880 |
41.5 |
-1.1 |
0.106 |
0 |
0 |
0 |
0.012 |
| Average: |
42.1 |
-1.2 |
0.109 |
0 |
0 |
0 |
0.012 |
| 15 |
49 |
|
[CL]A:512 |
1 |
1 |
125 |
f |
[FAD]A:602 |
x,y,z |
1_555 |
5 |
1 |
1002 |
41.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.088 |
50 |
|
[CL]B:1 |
1 |
1 |
125 |
f |
[FAD]B:604 |
x,y,z |
1_555 |
6 |
1 |
1003 |
40.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
51 |
|
[CL]F:512 |
1 |
1 |
125 |
f |
[FAD]F:603 |
x,y,z |
1_555 |
5 |
1 |
999 |
39.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.088 |
52 |
|
[CL]E:1 |
1 |
1 |
125 |
f |
[FAD]E:606 |
x,y,z |
1_555 |
6 |
1 |
997 |
37.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
39.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.088 |
| 16 |
53 |
|
[FAD]C:600 |
6 |
1 |
994 |
f |
[UDP]C:800 |
x,y,z |
1_555 |
3 |
1 |
525 |
20.3 |
-1.0 |
0.563 |
0 |
0 |
0 |
0.022 |
54 |
|
[FAD]D:601 |
6 |
1 |
996 |
f |
[UDP]D:800 |
x,y,z |
1_555 |
2 |
1 |
514 |
17.8 |
-1.0 |
0.502 |
0 |
0 |
0 |
0.022 |
55 |
|
[FAD]H:605 |
6 |
1 |
1001 |
f |
[UDP]H:800 |
x,y,z |
1_555 |
3 |
1 |
518 |
17.0 |
-0.8 |
0.584 |
0 |
0 |
0 |
0.022 |
56 |
|
[FAD]G:607 |
6 |
1 |
1002 |
f |
[UDP]G:800 |
x,y,z |
1_555 |
3 |
1 |
522 |
16.5 |
-0.8 |
0.584 |
0 |
0 |
0 |
0.022 |
57 |
|
[FAD]F:603 |
6 |
1 |
999 |
f |
[UDP]F:800 |
x,y,z |
1_555 |
3 |
1 |
520 |
16.1 |
-0.8 |
0.587 |
0 |
0 |
0 |
0.022 |
58 |
|
[FAD]B:604 |
6 |
1 |
1003 |
f |
[UDP]B:800 |
x,y,z |
1_555 |
3 |
1 |
520 |
14.7 |
-0.7 |
0.589 |
0 |
0 |
0 |
0.022 |
59 |
|
[FAD]A:602 |
6 |
1 |
1002 |
f |
[UDP]A:800 |
x,y,z |
1_555 |
3 |
1 |
519 |
14.4 |
-0.7 |
0.593 |
0 |
0 |
0 |
0.022 |
60 |
|
[FAD]E:606 |
6 |
1 |
997 |
f |
[UDP]E:800 |
x,y,z |
1_555 |
1 |
1 |
505 |
13.7 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.022 |
| Average: |
16.3 |
-0.8 |
0.557 |
0 |
0 |
0 |
0.022 |
| 17 |
61 |
|
E |
2 |
1 |
21946 |
◊ |
D |
x-1,y,z-1 |
1_454 |
4 |
1 |
22011 |
17.2 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 18 |
62 |
|
H |
3 |
1 |
21973 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
21946 |
11.9 |
0.2 |
0.633 |
0 |
0 |
0 |
0.000 |
63 |
|
A |
2 |
1 |
21988 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
21880 |
5.9 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
64 |
|
F |
1 |
1 |
22018 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
22011 |
4.9 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
65 |
|
G |
2 |
2 |
22042 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21986 |
3.3 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
| Average: |
6.5 |
0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
| 19 |
66 |
|
G |
1 |
1 |
22042 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
21986 |
2.6 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|