## |
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 |
|
H |
94 |
24 |
7999 |
◊ |
G |
x,y,z |
1_555 |
88 |
25 |
7688 |
879.5 |
-9.2 |
0.421 |
9 |
0 |
0 |
0.274 |
2 |
|
D |
86 |
23 |
7930 |
◊ |
C |
x,y,z |
1_555 |
85 |
23 |
7792 |
831.9 |
-10.6 |
0.315 |
8 |
0 |
0 |
0.274 |
3 |
|
B |
86 |
23 |
7855 |
◊ |
A |
x,y,z |
1_555 |
86 |
23 |
7674 |
829.3 |
-10.1 |
0.317 |
8 |
0 |
0 |
0.274 |
4 |
|
F |
86 |
23 |
7996 |
◊ |
E |
x,y,z |
1_555 |
89 |
24 |
7670 |
828.7 |
-10.3 |
0.326 |
9 |
0 |
0 |
0.274 |
Average: |
842.4 |
-10.1 |
0.345 |
9 |
0 |
0 |
0.274 |
2 |
5 |
|
B |
77 |
18 |
7855 |
◊ |
C |
x,y,z |
1_555 |
68 |
16 |
7792 |
662.4 |
-6.4 |
0.507 |
6 |
0 |
0 |
0.140 |
6 |
|
F |
78 |
19 |
7996 |
◊ |
G |
x,y,z |
1_555 |
71 |
16 |
7688 |
659.4 |
-5.9 |
0.556 |
6 |
0 |
0 |
0.140 |
7 |
|
D |
80 |
19 |
7930 |
◊ |
A |
x,y,z |
1_555 |
67 |
16 |
7674 |
657.6 |
-6.4 |
0.533 |
3 |
0 |
0 |
0.140 |
8 |
|
H |
79 |
19 |
7999 |
◊ |
E |
x,y,z |
1_555 |
63 |
16 |
7670 |
646.9 |
-6.7 |
0.469 |
3 |
0 |
0 |
0.140 |
Average: |
656.6 |
-6.3 |
0.516 |
5 |
0 |
0 |
0.140 |
3 |
9 |
|
[HNI]A:142 |
43 |
1 |
842 |
f |
A |
x,y,z |
1_555 |
73 |
28 |
7674 |
598.3 |
-18.4 |
0.480 |
1 |
0 |
0 |
0.375 |
10 |
|
[HNI]C:142 |
43 |
1 |
841 |
f |
C |
x,y,z |
1_555 |
69 |
28 |
7792 |
594.7 |
-19.6 |
0.289 |
1 |
0 |
0 |
0.375 |
11 |
|
[HNI]G:142 |
43 |
1 |
828 |
f |
G |
x,y,z |
1_555 |
71 |
27 |
7688 |
594.6 |
-19.4 |
0.343 |
1 |
0 |
0 |
0.375 |
12 |
|
[HNI]E:142 |
43 |
1 |
824 |
f |
E |
x,y,z |
1_555 |
73 |
27 |
7670 |
589.1 |
-18.7 |
0.409 |
2 |
0 |
0 |
0.375 |
Average: |
594.2 |
-19.0 |
0.380 |
1 |
0 |
0 |
0.375 |
4 |
13 |
|
[HEM]B:147 |
43 |
1 |
830 |
f |
B |
x,y,z |
1_555 |
69 |
26 |
7855 |
573.7 |
-19.5 |
0.337 |
0 |
0 |
0 |
0.379 |
14 |
|
[HEM]D:147 |
43 |
1 |
831 |
f |
D |
x,y,z |
1_555 |
66 |
25 |
7930 |
568.7 |
-19.2 |
0.303 |
0 |
0 |
0 |
0.379 |
15 |
|
[HEM]H:147 |
43 |
1 |
829 |
f |
H |
x,y,z |
1_555 |
70 |
26 |
7999 |
564.8 |
-19.1 |
0.275 |
0 |
0 |
0 |
0.379 |
16 |
|
[HEM]F:147 |
43 |
1 |
837 |
f |
F |
x,y,z |
1_555 |
65 |
24 |
7996 |
554.6 |
-19.3 |
0.328 |
0 |
0 |
0 |
0.379 |
Average: |
565.4 |
-19.3 |
0.311 |
0 |
0 |
0 |
0.379 |
5 |
17 |
|
G |
30 |
10 |
7688 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
10 |
7792 |
299.4 |
-1.0 |
0.716 |
4 |
3 |
0 |
0.000 |
6 |
18 |
|
A |
34 |
11 |
7674 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
30 |
13 |
7855 |
297.9 |
-2.6 |
0.515 |
5 |
2 |
0 |
0.000 |
7 |
19 |
|
C |
29 |
8 |
7792 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
7674 |
278.6 |
4.0 |
0.962 |
6 |
4 |
0 |
0.000 |
20 |
|
G |
30 |
9 |
7688 |
◊ |
E |
x,y,z |
1_555 |
30 |
9 |
7670 |
276.9 |
4.0 |
0.963 |
6 |
4 |
0 |
0.000 |
Average: |
277.7 |
4.0 |
0.963 |
6 |
4 |
0 |
0.000 |
8 |
21 |
|
B |
28 |
10 |
7855 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
10 |
7930 |
276.1 |
0.6 |
0.762 |
3 |
2 |
0 |
0.000 |
22 |
|
H |
29 |
10 |
7999 |
◊ |
F |
x-1,y,z |
1_455 |
30 |
11 |
7996 |
274.9 |
0.3 |
0.749 |
3 |
2 |
0 |
0.000 |
Average: |
275.5 |
0.4 |
0.756 |
3 |
2 |
0 |
0.000 |
9 |
23 |
|
H |
24 |
8 |
7999 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
7 |
7688 |
198.5 |
-1.2 |
0.532 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
F |
20 |
7 |
7996 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
7999 |
167.3 |
-1.8 |
0.427 |
1 |
1 |
0 |
0.000 |
11 |
25 |
|
A |
18 |
7 |
7674 |
◊ |
G |
x-1,y,z-1 |
1_454 |
22 |
9 |
7688 |
154.0 |
-3.0 |
0.375 |
0 |
0 |
0 |
0.000 |
12 |
26 |
|
F |
15 |
6 |
7996 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
17 |
7 |
7674 |
141.6 |
0.1 |
0.738 |
2 |
0 |
0 |
0.000 |
13 |
27 |
|
H |
17 |
6 |
7999 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
6 |
7670 |
130.4 |
0.6 |
0.789 |
2 |
1 |
0 |
0.000 |
14 |
28 |
|
F |
17 |
4 |
7996 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
4 |
7792 |
129.1 |
0.6 |
0.761 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
F |
17 |
5 |
7996 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
9 |
7688 |
127.1 |
-1.1 |
0.589 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
E |
9 |
5 |
7670 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
7792 |
122.3 |
0.3 |
0.728 |
1 |
0 |
0 |
0.000 |
17 |
31 |
|
C |
10 |
3 |
7792 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
11 |
5 |
7930 |
112.8 |
-2.2 |
0.278 |
0 |
0 |
0 |
0.000 |
18 |
32 |
|
G |
13 |
5 |
7688 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
4 |
7855 |
100.0 |
0.9 |
0.799 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
A |
12 |
4 |
7674 |
◊ |
[HEM]B:147 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
830 |
94.2 |
-3.7 |
0.427 |
1 |
0 |
0 |
0.000 |
20 |
34 |
|
E |
10 |
3 |
7670 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
11 |
6 |
7930 |
85.0 |
0.2 |
0.689 |
1 |
0 |
0 |
0.000 |
21 |
35 |
|
H |
9 |
3 |
7999 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
7792 |
82.2 |
-0.9 |
0.522 |
0 |
0 |
0 |
0.000 |
22 |
36 |
|
[CMO]H:6148 |
2 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
7999 |
78.0 |
-1.3 |
0.662 |
1 |
0 |
0 |
0.031 |
23 |
37 |
|
[2FU]F:3002 |
4 |
1 |
229 |
cf |
F |
x,y,z |
1_555 |
7 |
4 |
7996 |
69.7 |
2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[HNI]E:142 |
5 |
1 |
824 |
◊ |
C |
x,y,z |
1_555 |
8 |
6 |
7792 |
69.2 |
-3.5 |
0.322 |
1 |
0 |
0 |
0.000 |
25 |
39 |
|
[2FU]F:3002 |
4 |
1 |
229 |
c |
H |
x,y,z |
1_555 |
4 |
2 |
7999 |
66.2 |
2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
D |
9 |
2 |
7930 |
◊ |
G |
x,y,z-1 |
1_554 |
7 |
3 |
7688 |
63.9 |
-0.7 |
0.540 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[2FU]B:3001 |
3 |
1 |
226 |
c |
D |
x,y,z |
1_555 |
7 |
3 |
7930 |
60.7 |
2.9 |
0.186 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[CMO]D:4148 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
7930 |
59.3 |
-1.2 |
0.625 |
0 |
0 |
0 |
0.021 |
29 |
43 |
|
[CMO]H:6149 |
2 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
7999 |
59.2 |
-1.0 |
0.652 |
0 |
0 |
0 |
0.018 |
30 |
44 |
|
[CMO]F:5148 |
2 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
7996 |
58.1 |
-1.0 |
0.641 |
0 |
0 |
0 |
0.020 |
31 |
45 |
|
[CMO]B:3148 |
2 |
1 |
138 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
7855 |
57.2 |
-1.1 |
0.625 |
0 |
0 |
0 |
0.021 |
32 |
46 |
|
[2FU]B:3001 |
3 |
1 |
226 |
cf |
B |
x,y,z |
1_555 |
3 |
1 |
7855 |
50.7 |
2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
A |
6 |
3 |
7674 |
◊ |
[HNI]G:142 |
x-1,y,z-1 |
1_454 |
5 |
1 |
828 |
47.9 |
-2.2 |
0.494 |
1 |
0 |
0 |
0.000 |
34 |
48 |
|
[CMO]F:5148 |
2 |
1 |
137 |
f |
[HEM]F:147 |
x,y,z |
1_555 |
20 |
1 |
837 |
42.4 |
-0.9 |
0.866 |
0 |
0 |
0 |
0.017 |
35 |
49 |
|
[CMO]B:3148 |
2 |
1 |
138 |
f |
[HEM]B:147 |
x,y,z |
1_555 |
18 |
1 |
830 |
42.4 |
-1.0 |
0.866 |
0 |
0 |
0 |
0.020 |
36 |
50 |
|
[CMO]D:4148 |
2 |
1 |
137 |
f |
[HEM]D:147 |
x,y,z |
1_555 |
19 |
1 |
831 |
41.6 |
-0.9 |
0.866 |
0 |
0 |
0 |
0.016 |
37 |
51 |
|
[CMO]H:6149 |
2 |
1 |
137 |
f |
[HEM]H:147 |
x,y,z |
1_555 |
18 |
1 |
829 |
41.5 |
-0.9 |
0.866 |
0 |
0 |
0 |
0.017 |
38 |
52 |
|
[2FU]F:3002 |
4 |
1 |
229 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7688 |
28.9 |
0.2 |
0.417 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
C |
2 |
2 |
7792 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
7855 |
24.9 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
D |
4 |
3 |
7930 |
◊ |
B |
x,y,z |
1_555 |
4 |
4 |
7855 |
23.9 |
0.3 |
0.616 |
0 |
0 |
0 |
0.000 |
55 |
|
H |
2 |
2 |
7999 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
7996 |
1.5 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
Average: |
12.7 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
D |
4 |
2 |
7930 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7930 |
23.8 |
-0.7 |
0.300 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
E |
2 |
1 |
7670 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
7855 |
20.6 |
-0.5 |
0.294 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
F |
2 |
1 |
7996 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
7855 |
15.3 |
-0.5 |
0.356 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
A |
3 |
2 |
7674 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
7930 |
10.8 |
-0.3 |
0.463 |
0 |
0 |
0 |
0.000 |
60 |
|
H |
1 |
1 |
7999 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
7670 |
10.2 |
-0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
Average: |
10.5 |
-0.2 |
0.407 |
0 |
0 |
0 |
0.000 |
45 |
61 |
|
[CMO]H:6148 |
1 |
1 |
137 |
f |
[HEM]H:147 |
x,y,z |
1_555 |
1 |
1 |
829 |
7.3 |
-0.2 |
0.539 |
0 |
0 |
0 |
0.004 |
46 |
62 |
|
[HNI]G:142 |
1 |
1 |
828 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7996 |
5.1 |
0.1 |
0.841 |
0 |
0 |
0 |
0.000 |
63 |
|
[HNI]C:142 |
1 |
1 |
841 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7855 |
3.3 |
0.1 |
0.834 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
0.1 |
0.838 |
0 |
0 |
0 |
0.000 |
47 |
64 |
|
[CMO]H:6149 |
1 |
1 |
137 |
f |
[CMO]H:6148 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.8 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.001 |
48 |
65 |
|
G |
1 |
1 |
7688 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7930 |
0.5 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
49 |
66 |
|
F |
1 |
1 |
7996 |
◊ |
[HNI]C:142 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
841 |
0.4 |
-0.0 |
0.808 |
0 |
0 |
0 |
0.000 |
|