## |
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 |
|
D |
94 |
24 |
8077 |
◊ |
C |
x,y,z |
1_555 |
94 |
25 |
7796 |
900.6 |
-8.9 |
0.483 |
7 |
0 |
0 |
0.242 |
2 |
|
H |
91 |
24 |
8059 |
◊ |
G |
x,y,z |
1_555 |
85 |
25 |
7819 |
854.0 |
-9.9 |
0.371 |
7 |
0 |
0 |
0.242 |
3 |
|
B |
85 |
23 |
7926 |
◊ |
A |
x,y,z |
1_555 |
87 |
23 |
7742 |
822.6 |
-10.5 |
0.301 |
7 |
0 |
0 |
0.242 |
4 |
|
F |
87 |
23 |
8027 |
◊ |
E |
x,y,z |
1_555 |
90 |
23 |
7737 |
820.6 |
-10.6 |
0.301 |
8 |
0 |
0 |
0.242 |
Average: |
849.4 |
-10.0 |
0.364 |
7 |
0 |
0 |
0.242 |
2 |
5 |
|
F |
79 |
19 |
8027 |
◊ |
G |
x,y,z |
1_555 |
65 |
16 |
7819 |
666.0 |
-5.8 |
0.562 |
7 |
0 |
0 |
0.145 |
6 |
|
B |
79 |
19 |
7926 |
◊ |
C |
x,y,z |
1_555 |
69 |
17 |
7796 |
665.7 |
-5.8 |
0.567 |
7 |
0 |
0 |
0.145 |
7 |
|
H |
80 |
20 |
8059 |
◊ |
E |
x,y,z |
1_555 |
70 |
17 |
7737 |
664.8 |
-5.6 |
0.552 |
7 |
2 |
0 |
0.145 |
8 |
|
D |
76 |
18 |
8077 |
◊ |
A |
x,y,z |
1_555 |
69 |
16 |
7742 |
652.3 |
-6.1 |
0.534 |
7 |
0 |
0 |
0.145 |
Average: |
662.2 |
-5.8 |
0.554 |
7 |
1 |
0 |
0.145 |
3 |
9 |
|
[HNI]A:201 |
43 |
1 |
832 |
f |
A |
x,y,z |
1_555 |
71 |
28 |
7742 |
600.1 |
-19.1 |
0.365 |
1 |
0 |
0 |
0.360 |
10 |
|
[HNI]G:201 |
43 |
1 |
831 |
f |
G |
x,y,z |
1_555 |
70 |
26 |
7819 |
587.7 |
-19.0 |
0.368 |
1 |
0 |
0 |
0.360 |
11 |
|
[HNI]C:201 |
43 |
1 |
835 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
7796 |
585.7 |
-19.4 |
0.278 |
1 |
0 |
0 |
0.360 |
12 |
|
[HNI]E:201 |
42 |
1 |
827 |
f |
E |
x,y,z |
1_555 |
70 |
26 |
7737 |
575.4 |
-18.3 |
0.345 |
2 |
0 |
0 |
0.360 |
Average: |
587.2 |
-18.9 |
0.339 |
1 |
0 |
0 |
0.360 |
4 |
13 |
|
[HEM]H:201 |
43 |
1 |
834 |
f |
H |
x,y,z |
1_555 |
61 |
24 |
8059 |
561.3 |
-19.5 |
0.224 |
0 |
0 |
0 |
0.350 |
14 |
|
[HEM]B:201 |
43 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
64 |
24 |
7926 |
560.7 |
-19.1 |
0.303 |
0 |
0 |
0 |
0.350 |
15 |
|
[HEM]D:201 |
42 |
1 |
832 |
f |
D |
x,y,z |
1_555 |
63 |
24 |
8077 |
559.2 |
-19.3 |
0.268 |
0 |
0 |
0 |
0.350 |
16 |
|
[HEM]F:201 |
42 |
1 |
834 |
f |
F |
x,y,z |
1_555 |
64 |
24 |
8027 |
550.7 |
-19.5 |
0.230 |
0 |
0 |
0 |
0.350 |
Average: |
558.0 |
-19.3 |
0.256 |
0 |
0 |
0 |
0.350 |
5 |
17 |
|
G |
29 |
10 |
7819 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
11 |
7796 |
295.1 |
-1.0 |
0.725 |
3 |
2 |
0 |
0.000 |
6 |
18 |
|
A |
34 |
11 |
7742 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
30 |
13 |
7926 |
295.1 |
-2.9 |
0.471 |
5 |
2 |
0 |
0.000 |
7 |
19 |
|
G |
31 |
9 |
7819 |
◊ |
E |
x,y,z |
1_555 |
30 |
9 |
7737 |
282.0 |
4.0 |
0.959 |
6 |
4 |
0 |
0.000 |
20 |
|
C |
29 |
9 |
7796 |
◊ |
A |
x,y,z |
1_555 |
27 |
9 |
7742 |
279.4 |
3.8 |
0.958 |
6 |
4 |
0 |
0.000 |
Average: |
280.7 |
3.9 |
0.959 |
6 |
4 |
0 |
0.000 |
8 |
21 |
|
H |
31 |
10 |
8059 |
◊ |
F |
x-1,y,z |
1_455 |
31 |
10 |
8027 |
279.9 |
0.2 |
0.733 |
3 |
2 |
0 |
0.000 |
22 |
|
B |
31 |
11 |
7926 |
◊ |
D |
x-1,y,z |
1_455 |
32 |
10 |
8077 |
274.1 |
0.7 |
0.772 |
4 |
3 |
0 |
0.000 |
Average: |
277.0 |
0.4 |
0.753 |
4 |
3 |
0 |
0.000 |
9 |
23 |
|
H |
23 |
9 |
8059 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
8 |
7819 |
221.6 |
-1.1 |
0.594 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
A |
19 |
7 |
7742 |
◊ |
G |
x-1,y,z-1 |
1_454 |
25 |
10 |
7819 |
196.6 |
-0.8 |
0.655 |
1 |
1 |
0 |
0.000 |
11 |
25 |
|
F |
18 |
6 |
8027 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
8 |
7819 |
186.6 |
-2.5 |
0.320 |
2 |
0 |
0 |
0.000 |
12 |
26 |
|
F |
19 |
6 |
8027 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
8059 |
173.7 |
-2.0 |
0.407 |
1 |
1 |
0 |
0.000 |
13 |
27 |
|
F |
17 |
5 |
8027 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
18 |
8 |
7742 |
149.2 |
-0.3 |
0.699 |
1 |
2 |
0 |
0.000 |
14 |
28 |
|
H |
18 |
7 |
8059 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
8 |
7737 |
144.7 |
1.0 |
0.811 |
2 |
1 |
0 |
0.000 |
15 |
29 |
|
E |
8 |
3 |
7737 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
7796 |
116.0 |
0.5 |
0.725 |
1 |
0 |
0 |
0.000 |
16 |
30 |
|
G |
13 |
5 |
7819 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
4 |
7926 |
111.1 |
0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
F |
16 |
4 |
8027 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7796 |
111.1 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
18 |
32 |
|
C |
12 |
4 |
7796 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
8077 |
100.3 |
-0.7 |
0.509 |
1 |
0 |
0 |
0.000 |
19 |
33 |
|
E |
13 |
4 |
7737 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
14 |
4 |
8077 |
100.3 |
-0.3 |
0.666 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
A |
11 |
4 |
7742 |
◊ |
[HEM]B:201 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
824 |
95.3 |
-3.7 |
0.421 |
1 |
0 |
0 |
0.000 |
21 |
35 |
|
[CMO]H:203 |
2 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
8059 |
82.4 |
-1.4 |
0.665 |
1 |
0 |
0 |
0.032 |
22 |
36 |
|
[CMO]D:203 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
8077 |
80.8 |
-1.3 |
0.686 |
0 |
0 |
0 |
0.024 |
23 |
37 |
|
H |
8 |
3 |
8059 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
7796 |
80.7 |
-0.1 |
0.683 |
1 |
1 |
0 |
0.000 |
24 |
38 |
|
[CMO]C:203 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
7796 |
78.4 |
-1.2 |
0.692 |
0 |
0 |
0 |
0.022 |
25 |
39 |
|
[2FU]F:204 |
4 |
1 |
227 |
c |
F |
x,y,z |
1_555 |
7 |
3 |
8027 |
77.4 |
3.2 |
0.348 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[CMO]B:203 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
7926 |
75.6 |
-1.2 |
0.692 |
0 |
0 |
0 |
0.021 |
27 |
41 |
|
[CMO]F:203 |
2 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
12 |
7 |
8027 |
74.5 |
-1.1 |
0.687 |
0 |
0 |
0 |
0.019 |
28 |
42 |
|
[CMO]E:203 |
2 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
7737 |
74.2 |
-1.1 |
0.712 |
0 |
0 |
0 |
0.019 |
29 |
43 |
|
[CMO]G:203 |
2 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
12 |
9 |
7819 |
74.2 |
-1.1 |
0.719 |
0 |
0 |
0 |
0.020 |
30 |
44 |
|
[CMO]B:202 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
7926 |
73.8 |
-1.2 |
0.678 |
0 |
0 |
0 |
0.021 |
31 |
45 |
|
[CMO]D:202 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
8077 |
73.0 |
-1.2 |
0.687 |
0 |
0 |
0 |
0.021 |
32 |
46 |
|
[CMO]F:202 |
2 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
22 |
9 |
8027 |
72.8 |
-1.2 |
0.683 |
0 |
0 |
0 |
0.020 |
33 |
47 |
|
D |
13 |
3 |
8077 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
2 |
7819 |
72.1 |
-0.5 |
0.579 |
1 |
1 |
0 |
0.000 |
34 |
48 |
|
[CMO]H:202 |
2 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
22 |
9 |
8059 |
71.6 |
-1.1 |
0.684 |
0 |
0 |
0 |
0.020 |
35 |
49 |
|
[CMO]A:202 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
7742 |
71.4 |
-1.1 |
0.716 |
0 |
0 |
0 |
0.019 |
36 |
50 |
|
[HNI]E:201 |
5 |
1 |
827 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
7796 |
67.9 |
-3.7 |
0.284 |
1 |
0 |
0 |
0.000 |
37 |
51 |
|
[2FU]B:204 |
3 |
1 |
227 |
cf |
D |
x,y,z |
1_555 |
5 |
3 |
8077 |
65.3 |
3.2 |
0.375 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[2FU]F:204 |
3 |
1 |
227 |
cf |
H |
x,y,z |
1_555 |
6 |
3 |
8059 |
57.7 |
2.8 |
0.369 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
[CMO]E:202 |
2 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
8 |
6 |
7737 |
56.0 |
-1.5 |
0.425 |
0 |
0 |
0 |
0.025 |
40 |
54 |
|
[CMO]C:202 |
2 |
1 |
136 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
7796 |
55.7 |
-1.6 |
0.431 |
0 |
0 |
0 |
0.029 |
41 |
55 |
|
[CMO]G:202 |
2 |
1 |
136 |
f |
G |
x,y,z |
1_555 |
8 |
6 |
7819 |
55.0 |
-0.9 |
0.659 |
0 |
0 |
0 |
0.017 |
42 |
56 |
|
[2FU]B:204 |
3 |
1 |
227 |
c |
B |
x,y,z |
1_555 |
6 |
2 |
7926 |
52.1 |
3.2 |
0.299 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
A |
6 |
3 |
7742 |
◊ |
[HNI]G:201 |
x-1,y,z-1 |
1_454 |
5 |
1 |
831 |
46.6 |
-2.2 |
0.500 |
1 |
0 |
0 |
0.000 |
44 |
58 |
|
[CMO]E:202 |
2 |
1 |
137 |
f |
[HNI]E:201 |
x,y,z |
1_555 |
21 |
1 |
827 |
45.8 |
-1.1 |
0.866 |
0 |
0 |
0 |
0.018 |
45 |
59 |
|
[CMO]G:202 |
2 |
1 |
136 |
f |
[HNI]G:201 |
x,y,z |
1_555 |
18 |
1 |
831 |
44.5 |
-1.0 |
0.866 |
0 |
0 |
0 |
0.018 |
46 |
60 |
|
[CMO]C:202 |
2 |
1 |
136 |
f |
[HNI]C:201 |
x,y,z |
1_555 |
21 |
1 |
835 |
44.5 |
-1.0 |
0.866 |
0 |
0 |
0 |
0.018 |
47 |
61 |
|
C |
4 |
2 |
7796 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
7926 |
38.6 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
48 |
62 |
|
D |
2 |
2 |
8077 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
5 |
3 |
8077 |
30.3 |
-0.6 |
0.306 |
0 |
0 |
0 |
0.000 |
49 |
63 |
|
H |
5 |
4 |
8059 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
8027 |
30.1 |
0.6 |
0.677 |
0 |
0 |
0 |
0.000 |
64 |
|
D |
8 |
5 |
8077 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
7926 |
29.2 |
1.0 |
0.841 |
0 |
0 |
0 |
0.000 |
Average: |
29.7 |
0.8 |
0.759 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[HEM]H:201 |
2 |
1 |
834 |
f |
[CMO]H:202 |
x,y,z |
1_555 |
2 |
1 |
137 |
29.7 |
-0.9 |
0.669 |
0 |
0 |
0 |
0.016 |
51 |
66 |
|
[HEM]D:201 |
2 |
1 |
832 |
f |
[CMO]D:202 |
x,y,z |
1_555 |
2 |
1 |
137 |
29.6 |
-0.9 |
0.664 |
0 |
0 |
0 |
0.016 |
52 |
67 |
|
[HEM]F:201 |
2 |
1 |
834 |
f |
[CMO]F:202 |
x,y,z |
1_555 |
2 |
1 |
137 |
28.1 |
-0.8 |
0.665 |
0 |
0 |
0 |
0.014 |
53 |
68 |
|
[HEM]B:201 |
2 |
1 |
824 |
f |
[CMO]B:202 |
x,y,z |
1_555 |
2 |
1 |
137 |
28.1 |
-0.8 |
0.650 |
0 |
0 |
0 |
0.015 |
54 |
69 |
|
E |
2 |
1 |
7737 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
7926 |
26.6 |
-0.5 |
0.384 |
0 |
0 |
0 |
0.000 |
55 |
70 |
|
[2FU]F:204 |
3 |
1 |
227 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7819 |
23.8 |
0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
F |
2 |
1 |
8027 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
7737 |
10.4 |
0.5 |
0.884 |
0 |
0 |
0 |
0.000 |
57 |
72 |
|
[HNI]G:201 |
1 |
1 |
831 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8027 |
4.6 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
73 |
|
[HNI]C:201 |
1 |
1 |
835 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7926 |
3.9 |
0.1 |
0.837 |
0 |
0 |
0 |
0.000 |
74 |
|
[HNI]A:201 |
1 |
1 |
832 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8077 |
0.3 |
0.0 |
0.802 |
0 |
0 |
0 |
0.000 |
Average: |
2.9 |
0.1 |
0.826 |
0 |
0 |
0 |
0.000 |
58 |
75 |
|
[HEM]F:201 |
4 |
1 |
834 |
f |
[CMO]F:203 |
x,y,z |
1_555 |
2 |
1 |
137 |
3.9 |
-0.1 |
0.866 |
0 |
0 |
0 |
0.002 |
59 |
76 |
|
H |
1 |
1 |
8059 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
7737 |
3.2 |
-0.1 |
0.423 |
0 |
0 |
0 |
0.000 |
77 |
|
A |
1 |
1 |
7742 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
8077 |
2.1 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
60 |
78 |
|
F |
1 |
1 |
8027 |
◊ |
[HNI]C:201 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
835 |
2.5 |
-0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
61 |
79 |
|
F |
1 |
1 |
8027 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
7926 |
2.1 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
62 |
80 |
|
[HEM]H:201 |
1 |
1 |
834 |
f |
[CMO]H:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.2 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
63 |
81 |
|
[HEM]B:201 |
1 |
1 |
824 |
f |
[CMO]B:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.3 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|