## |
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 |
93 |
23 |
7981 |
◊ |
C |
x,y,z |
1_555 |
87 |
23 |
7796 |
863.2 |
-9.7 |
0.380 |
8 |
0 |
0 |
0.277 |
2 |
|
F |
88 |
23 |
7949 |
◊ |
E |
x,y,z |
1_555 |
88 |
24 |
7693 |
842.7 |
-9.8 |
0.329 |
8 |
0 |
0 |
0.277 |
3 |
|
H |
92 |
23 |
7896 |
◊ |
G |
x,y,z |
1_555 |
87 |
24 |
7731 |
842.6 |
-10.9 |
0.312 |
8 |
0 |
0 |
0.277 |
4 |
|
B |
88 |
23 |
7897 |
◊ |
A |
x,y,z |
1_555 |
86 |
22 |
7736 |
829.7 |
-10.5 |
0.314 |
8 |
0 |
0 |
0.277 |
Average: |
844.6 |
-10.2 |
0.334 |
8 |
0 |
0 |
0.277 |
2 |
5 |
|
D |
84 |
20 |
7981 |
◊ |
A |
x,y,z |
1_555 |
67 |
16 |
7736 |
695.1 |
-5.0 |
0.633 |
7 |
2 |
0 |
0.144 |
6 |
|
H |
84 |
20 |
7896 |
◊ |
E |
x,y,z |
1_555 |
70 |
16 |
7693 |
689.8 |
-5.1 |
0.616 |
7 |
2 |
0 |
0.144 |
7 |
|
B |
83 |
19 |
7897 |
◊ |
C |
x,y,z |
1_555 |
68 |
17 |
7796 |
682.4 |
-5.7 |
0.588 |
6 |
0 |
0 |
0.144 |
8 |
|
F |
82 |
20 |
7949 |
◊ |
G |
x,y,z |
1_555 |
69 |
17 |
7731 |
668.8 |
-5.4 |
0.585 |
6 |
0 |
0 |
0.144 |
Average: |
684.0 |
-5.3 |
0.605 |
7 |
1 |
0 |
0.144 |
3 |
9 |
|
[HEM]E:142 |
43 |
1 |
834 |
f |
E |
x,y,z |
1_555 |
73 |
27 |
7693 |
584.0 |
-19.4 |
0.469 |
2 |
0 |
0 |
0.404 |
10 |
|
[HEM]G:142 |
43 |
1 |
837 |
f |
G |
x,y,z |
1_555 |
71 |
26 |
7731 |
581.0 |
-20.6 |
0.344 |
1 |
0 |
0 |
0.404 |
11 |
|
[HEM]C:142 |
43 |
1 |
840 |
f |
C |
x,y,z |
1_555 |
67 |
26 |
7796 |
578.6 |
-20.3 |
0.374 |
1 |
0 |
0 |
0.404 |
12 |
|
[HEM]A:142 |
43 |
1 |
836 |
f |
A |
x,y,z |
1_555 |
70 |
26 |
7736 |
577.9 |
-19.9 |
0.387 |
1 |
0 |
0 |
0.404 |
Average: |
580.4 |
-20.0 |
0.394 |
1 |
0 |
0 |
0.404 |
4 |
13 |
|
[HNI]B:147 |
43 |
1 |
829 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
7897 |
569.2 |
-18.0 |
0.299 |
0 |
0 |
0 |
0.350 |
14 |
|
[HNI]F:147 |
43 |
1 |
843 |
f |
F |
x,y,z |
1_555 |
63 |
24 |
7949 |
557.2 |
-17.5 |
0.252 |
0 |
0 |
0 |
0.350 |
15 |
|
[HNI]H:147 |
43 |
1 |
840 |
f |
H |
x,y,z |
1_555 |
65 |
25 |
7896 |
557.2 |
-17.7 |
0.257 |
0 |
0 |
0 |
0.350 |
16 |
|
[HNI]D:147 |
42 |
1 |
842 |
f |
D |
x,y,z |
1_555 |
63 |
24 |
7981 |
554.2 |
-17.0 |
0.288 |
0 |
0 |
0 |
0.350 |
Average: |
559.4 |
-17.6 |
0.274 |
0 |
0 |
0 |
0.350 |
5 |
17 |
|
A |
35 |
11 |
7736 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
32 |
13 |
7897 |
299.1 |
-2.7 |
0.532 |
5 |
2 |
0 |
0.000 |
6 |
18 |
|
G |
28 |
10 |
7731 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
12 |
7796 |
293.0 |
-1.0 |
0.725 |
3 |
2 |
0 |
0.000 |
7 |
19 |
|
C |
30 |
9 |
7796 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
7736 |
286.6 |
3.9 |
0.961 |
5 |
4 |
0 |
0.000 |
20 |
|
G |
31 |
9 |
7731 |
◊ |
E |
x,y,z |
1_555 |
30 |
9 |
7693 |
281.2 |
4.0 |
0.959 |
5 |
4 |
0 |
0.000 |
Average: |
283.9 |
3.9 |
0.960 |
5 |
4 |
0 |
0.000 |
8 |
21 |
|
H |
34 |
11 |
7896 |
◊ |
F |
x-1,y,z |
1_455 |
30 |
10 |
7949 |
259.7 |
0.1 |
0.650 |
3 |
1 |
0 |
0.000 |
22 |
|
B |
29 |
10 |
7897 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
10 |
7981 |
254.8 |
-0.5 |
0.612 |
2 |
1 |
0 |
0.000 |
Average: |
257.2 |
-0.2 |
0.631 |
3 |
1 |
0 |
0.000 |
9 |
23 |
|
H |
25 |
9 |
7896 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
7731 |
223.0 |
-0.5 |
0.661 |
0 |
1 |
0 |
0.000 |
10 |
24 |
|
F |
19 |
6 |
7949 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
9 |
7731 |
190.9 |
-2.8 |
0.302 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
F |
19 |
6 |
7949 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
7896 |
171.9 |
-1.9 |
0.414 |
1 |
1 |
0 |
0.000 |
12 |
26 |
|
A |
20 |
6 |
7736 |
◊ |
G |
x-1,y,z-1 |
1_454 |
23 |
8 |
7731 |
165.2 |
-2.4 |
0.466 |
0 |
0 |
0 |
0.000 |
13 |
27 |
|
F |
20 |
4 |
7949 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
5 |
7796 |
149.5 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
14 |
28 |
|
F |
14 |
5 |
7949 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
16 |
7 |
7736 |
133.8 |
0.1 |
0.729 |
2 |
2 |
0 |
0.000 |
15 |
29 |
|
E |
8 |
3 |
7693 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
7796 |
121.2 |
-0.9 |
0.579 |
1 |
0 |
0 |
0.000 |
16 |
30 |
|
H |
16 |
7 |
7896 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
7 |
7693 |
109.9 |
0.9 |
0.801 |
3 |
1 |
0 |
0.000 |
17 |
31 |
|
E |
13 |
4 |
7693 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
14 |
4 |
7981 |
98.2 |
-0.5 |
0.622 |
0 |
0 |
0 |
0.000 |
18 |
32 |
|
G |
11 |
4 |
7731 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
4 |
7897 |
98.1 |
0.8 |
0.779 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
A |
11 |
4 |
7736 |
◊ |
[HNI]B:147 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
829 |
95.2 |
-3.7 |
0.387 |
1 |
0 |
0 |
0.000 |
20 |
34 |
|
C |
12 |
4 |
7796 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
7981 |
93.7 |
-0.8 |
0.527 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
H |
9 |
3 |
7896 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
7796 |
90.3 |
-2.1 |
0.286 |
0 |
1 |
0 |
0.000 |
22 |
36 |
|
[2FU]F:3002 |
4 |
1 |
227 |
cf |
H |
x,y,z |
1_555 |
6 |
3 |
7896 |
79.0 |
3.0 |
0.181 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
[2FU]F:3002 |
4 |
1 |
227 |
c |
F |
x,y,z |
1_555 |
7 |
3 |
7949 |
73.9 |
3.5 |
0.000 |
1 |
0 |
0 |
0.000 |
24 |
38 |
|
[2FU]D:3001 |
4 |
1 |
227 |
c |
D |
x,y,z |
1_555 |
7 |
4 |
7981 |
72.7 |
3.0 |
0.106 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[HEM]E:142 |
5 |
1 |
834 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7796 |
69.2 |
-3.6 |
0.339 |
1 |
0 |
0 |
0.000 |
26 |
40 |
|
[2FU]D:3001 |
3 |
1 |
227 |
cf |
B |
x,y,z |
1_555 |
5 |
3 |
7897 |
61.7 |
2.8 |
0.187 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[CMO]A:3143 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
7736 |
59.9 |
-0.7 |
0.719 |
0 |
0 |
0 |
0.013 |
28 |
42 |
|
[CMO]E:5143 |
2 |
1 |
136 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
7693 |
59.6 |
-0.8 |
0.700 |
0 |
0 |
0 |
0.015 |
29 |
43 |
|
[CMO]C:4143 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
7796 |
59.4 |
-0.8 |
0.688 |
0 |
0 |
0 |
0.016 |
30 |
44 |
|
[CMO]G:6143 |
2 |
1 |
136 |
f |
G |
x,y,z |
1_555 |
9 |
7 |
7731 |
58.4 |
-0.8 |
0.694 |
0 |
0 |
0 |
0.015 |
31 |
45 |
|
D |
7 |
2 |
7981 |
◊ |
G |
x,y,z-1 |
1_554 |
5 |
2 |
7731 |
56.8 |
-0.8 |
0.432 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
D |
8 |
4 |
7981 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
7897 |
56.6 |
0.3 |
0.669 |
0 |
0 |
0 |
0.000 |
47 |
|
H |
4 |
2 |
7896 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
7949 |
22.3 |
0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
Average: |
39.5 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
A |
6 |
3 |
7736 |
◊ |
[HEM]G:142 |
x-1,y,z-1 |
1_454 |
4 |
1 |
837 |
48.2 |
-2.2 |
0.461 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
[CMO]A:3143 |
2 |
1 |
137 |
f |
[HEM]A:142 |
x,y,z |
1_555 |
21 |
1 |
836 |
45.2 |
-1.2 |
0.866 |
0 |
0 |
0 |
0.023 |
35 |
50 |
|
[CMO]E:5143 |
2 |
1 |
136 |
f |
[HEM]E:142 |
x,y,z |
1_555 |
20 |
1 |
834 |
45.0 |
-1.1 |
0.866 |
0 |
0 |
0 |
0.022 |
36 |
51 |
|
[CMO]C:4143 |
2 |
1 |
137 |
f |
[HEM]C:142 |
x,y,z |
1_555 |
21 |
1 |
840 |
44.9 |
-1.1 |
0.866 |
0 |
0 |
0 |
0.021 |
37 |
52 |
|
[CMO]G:6143 |
2 |
1 |
136 |
f |
[HEM]G:142 |
x,y,z |
1_555 |
20 |
1 |
837 |
43.8 |
-1.1 |
0.866 |
0 |
0 |
0 |
0.020 |
38 |
53 |
|
D |
4 |
2 |
7981 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
5 |
3 |
7981 |
36.3 |
-0.6 |
0.395 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
E |
2 |
1 |
7693 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7897 |
29.2 |
-0.6 |
0.284 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
C |
5 |
2 |
7796 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
3 |
7897 |
27.7 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
F |
2 |
1 |
7949 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7897 |
14.9 |
0.3 |
0.547 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
F |
2 |
1 |
7949 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
7693 |
11.5 |
0.5 |
0.895 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
[2FU]F:3002 |
2 |
1 |
227 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7731 |
10.5 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
[HEM]G:142 |
1 |
1 |
837 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7949 |
5.8 |
0.1 |
0.882 |
0 |
0 |
0 |
0.000 |
60 |
|
[HEM]C:142 |
1 |
1 |
840 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7897 |
5.6 |
0.1 |
0.880 |
0 |
0 |
0 |
0.000 |
61 |
|
[HEM]A:142 |
1 |
1 |
836 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7981 |
4.6 |
0.1 |
0.898 |
0 |
0 |
0 |
0.000 |
62 |
|
[HEM]E:142 |
1 |
1 |
834 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7896 |
3.6 |
0.1 |
0.879 |
0 |
0 |
0 |
0.000 |
Average: |
4.9 |
0.1 |
0.885 |
0 |
0 |
0 |
0.000 |
45 |
63 |
|
F |
1 |
1 |
7949 |
◊ |
[HEM]C:142 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
840 |
5.8 |
-0.1 |
0.824 |
0 |
0 |
0 |
0.000 |
46 |
64 |
|
A |
2 |
2 |
7736 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
7981 |
4.8 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
65 |
|
H |
1 |
1 |
7896 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
7693 |
2.8 |
-0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
Average: |
3.8 |
-0.1 |
0.484 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
G |
1 |
1 |
7731 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7981 |
2.3 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
|