| ## |
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 |
91 |
23 |
7959 |
◊ |
C |
x,y,z |
1_555 |
87 |
23 |
7872 |
851.8 |
-9.7 |
0.378 |
7 |
0 |
0 |
0.239 |
2 |
|
H |
90 |
22 |
7883 |
◊ |
G |
x,y,z |
1_555 |
87 |
24 |
7867 |
851.2 |
-9.7 |
0.367 |
7 |
0 |
0 |
0.239 |
3 |
|
F |
90 |
23 |
8113 |
◊ |
E |
x,y,z |
1_555 |
88 |
23 |
7788 |
825.6 |
-10.6 |
0.305 |
7 |
0 |
0 |
0.239 |
4 |
|
B |
85 |
22 |
7885 |
◊ |
A |
x,y,z |
1_555 |
85 |
22 |
7805 |
822.5 |
-10.3 |
0.320 |
7 |
0 |
0 |
0.239 |
| Average: |
837.8 |
-10.1 |
0.343 |
7 |
0 |
0 |
0.239 |
| 2 |
5 |
|
D |
84 |
20 |
7959 |
◊ |
A |
x,y,z |
1_555 |
68 |
17 |
7805 |
681.8 |
-5.2 |
0.617 |
8 |
2 |
0 |
0.217 |
6 |
|
F |
78 |
19 |
8113 |
◊ |
G |
x,y,z |
1_555 |
65 |
17 |
7867 |
670.7 |
-5.4 |
0.563 |
7 |
0 |
0 |
0.217 |
7 |
|
B |
82 |
20 |
7885 |
◊ |
C |
x,y,z |
1_555 |
69 |
17 |
7872 |
670.1 |
-5.8 |
0.576 |
7 |
0 |
0 |
0.217 |
8 |
|
H |
82 |
18 |
7883 |
◊ |
E |
x,y,z |
1_555 |
63 |
16 |
7788 |
645.5 |
-6.9 |
0.454 |
9 |
4 |
0 |
0.217 |
| Average: |
667.0 |
-5.8 |
0.552 |
8 |
2 |
0 |
0.217 |
| 3 |
9 |
|
[HEM]A:201 |
43 |
1 |
841 |
f |
A |
x,y,z |
1_555 |
72 |
28 |
7805 |
587.6 |
-20.7 |
0.371 |
2 |
0 |
0 |
0.388 |
10 |
|
[HEM]E:201 |
43 |
1 |
832 |
f |
E |
x,y,z |
1_555 |
73 |
27 |
7788 |
583.3 |
-19.6 |
0.443 |
2 |
0 |
0 |
0.388 |
11 |
|
[HEM]G:201 |
43 |
1 |
839 |
f |
G |
x,y,z |
1_555 |
70 |
26 |
7867 |
583.2 |
-19.6 |
0.462 |
1 |
0 |
0 |
0.388 |
12 |
|
[HEM]C:201 |
43 |
1 |
835 |
f |
C |
x,y,z |
1_555 |
73 |
26 |
7872 |
579.5 |
-20.8 |
0.352 |
2 |
0 |
0 |
0.388 |
| Average: |
583.4 |
-20.2 |
0.407 |
2 |
0 |
0 |
0.388 |
| 4 |
13 |
|
[HNI]B:201 |
43 |
1 |
823 |
f |
B |
x,y,z |
1_555 |
63 |
24 |
7885 |
563.5 |
-17.7 |
0.281 |
0 |
0 |
0 |
0.325 |
14 |
|
[HNI]H:201 |
43 |
1 |
835 |
f |
H |
x,y,z |
1_555 |
61 |
23 |
7883 |
553.9 |
-17.2 |
0.247 |
0 |
0 |
0 |
0.325 |
15 |
|
[HNI]F:201 |
43 |
1 |
836 |
f |
F |
x,y,z |
1_555 |
62 |
23 |
8113 |
549.4 |
-17.0 |
0.252 |
0 |
0 |
0 |
0.325 |
16 |
|
[HNI]D:202 |
43 |
1 |
824 |
f |
D |
x,y,z |
1_555 |
60 |
24 |
7959 |
542.5 |
-17.0 |
0.223 |
0 |
0 |
0 |
0.325 |
| Average: |
552.3 |
-17.2 |
0.251 |
0 |
0 |
0 |
0.325 |
| 5 |
17 |
|
G |
28 |
10 |
7867 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
11 |
7872 |
291.9 |
-1.0 |
0.699 |
3 |
2 |
0 |
0.000 |
| 6 |
18 |
|
A |
34 |
11 |
7805 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
33 |
13 |
7885 |
287.8 |
-3.1 |
0.478 |
5 |
2 |
0 |
0.000 |
| 7 |
19 |
|
C |
30 |
8 |
7872 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
7805 |
284.4 |
3.9 |
0.956 |
6 |
4 |
0 |
0.000 |
20 |
|
G |
30 |
8 |
7867 |
◊ |
E |
x,y,z |
1_555 |
30 |
8 |
7788 |
276.5 |
4.0 |
0.956 |
6 |
4 |
0 |
0.000 |
| Average: |
280.4 |
3.9 |
0.956 |
6 |
4 |
0 |
0.000 |
| 8 |
21 |
|
H |
30 |
10 |
7883 |
◊ |
F |
x-1,y,z |
1_455 |
28 |
10 |
8113 |
251.8 |
0.1 |
0.684 |
2 |
1 |
0 |
0.000 |
22 |
|
B |
30 |
11 |
7885 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
9 |
7959 |
245.7 |
-0.4 |
0.636 |
3 |
1 |
0 |
0.000 |
| Average: |
248.7 |
-0.1 |
0.660 |
3 |
1 |
0 |
0.000 |
| 9 |
23 |
|
H |
23 |
9 |
7883 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
7 |
7867 |
221.8 |
-0.6 |
0.613 |
0 |
1 |
0 |
0.000 |
| 10 |
24 |
|
F |
20 |
7 |
8113 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
8 |
7867 |
191.2 |
-2.9 |
0.275 |
0 |
0 |
0 |
0.000 |
| 11 |
25 |
|
A |
20 |
7 |
7805 |
◊ |
G |
x-1,y,z-1 |
1_454 |
22 |
10 |
7867 |
179.4 |
-1.3 |
0.568 |
0 |
0 |
0 |
0.000 |
| 12 |
26 |
|
F |
19 |
6 |
8113 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
7883 |
170.9 |
-2.0 |
0.383 |
1 |
0 |
0 |
0.000 |
| 13 |
27 |
|
F |
13 |
4 |
8113 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
7805 |
131.6 |
-0.2 |
0.691 |
2 |
1 |
0 |
0.000 |
| 14 |
28 |
|
F |
16 |
4 |
8113 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7872 |
113.1 |
-0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
| 15 |
29 |
|
H |
15 |
7 |
7883 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
7 |
7788 |
105.4 |
0.9 |
0.813 |
2 |
1 |
0 |
0.000 |
| 16 |
30 |
|
E |
8 |
3 |
7788 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
7872 |
99.4 |
-0.2 |
0.617 |
2 |
0 |
0 |
0.000 |
| 17 |
31 |
|
G |
13 |
5 |
7867 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
4 |
7885 |
96.3 |
0.8 |
0.787 |
0 |
0 |
0 |
0.000 |
| 18 |
32 |
|
A |
11 |
4 |
7805 |
◊ |
[HNI]B:201 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
823 |
95.6 |
-3.7 |
0.374 |
1 |
0 |
0 |
0.000 |
| 19 |
33 |
|
E |
13 |
4 |
7788 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
14 |
4 |
7959 |
93.5 |
-0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 20 |
34 |
|
H |
9 |
3 |
7883 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
7872 |
87.6 |
-0.7 |
0.553 |
1 |
1 |
0 |
0.000 |
| 21 |
35 |
|
C |
11 |
3 |
7872 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
7959 |
87.3 |
-0.7 |
0.501 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[2FU]F:204 |
5 |
1 |
229 |
c |
F |
x,y,z |
1_555 |
9 |
3 |
8113 |
85.7 |
3.3 |
0.194 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[CMO]C:203 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
7872 |
81.4 |
-1.3 |
0.678 |
0 |
0 |
0 |
0.023 |
| 24 |
38 |
|
[CMO]D:204 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
7959 |
80.1 |
-1.3 |
0.686 |
0 |
0 |
0 |
0.022 |
| 25 |
39 |
|
[CMO]H:203 |
2 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
7883 |
79.0 |
-1.3 |
0.682 |
1 |
0 |
0 |
0.033 |
| 26 |
40 |
|
[CMO]G:203 |
2 |
1 |
138 |
f |
G |
x,y,z |
1_555 |
15 |
10 |
7867 |
77.8 |
-1.2 |
0.703 |
0 |
0 |
0 |
0.023 |
| 27 |
41 |
|
[CMO]E:203 |
2 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
15 |
9 |
7788 |
77.8 |
-1.2 |
0.705 |
0 |
0 |
0 |
0.023 |
| 28 |
42 |
|
[CMO]B:203 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
7885 |
76.5 |
-1.2 |
0.694 |
0 |
0 |
0 |
0.021 |
| 29 |
43 |
|
[CMO]F:203 |
2 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
8113 |
76.1 |
-1.2 |
0.686 |
0 |
0 |
0 |
0.020 |
| 30 |
44 |
|
[CMO]H:202 |
2 |
1 |
138 |
f |
H |
x,y,z |
1_555 |
20 |
9 |
7883 |
75.0 |
-1.2 |
0.677 |
0 |
0 |
0 |
0.023 |
| 31 |
45 |
|
[CMO]D:203 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
7959 |
74.5 |
-1.2 |
0.692 |
0 |
0 |
0 |
0.021 |
| 32 |
46 |
|
[CMO]A:203 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
7805 |
74.2 |
-1.1 |
0.711 |
1 |
0 |
0 |
0.028 |
| 33 |
47 |
|
[CMO]F:202 |
2 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
22 |
9 |
8113 |
73.4 |
-1.2 |
0.679 |
0 |
0 |
0 |
0.021 |
| 34 |
48 |
|
[CMO]B:202 |
2 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
7885 |
73.4 |
-1.2 |
0.690 |
0 |
0 |
0 |
0.021 |
| 35 |
49 |
|
[2FU]F:204 |
3 |
1 |
229 |
cf |
H |
x,y,z |
1_555 |
6 |
3 |
7883 |
69.4 |
3.1 |
0.339 |
0 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[HEM]E:201 |
5 |
1 |
832 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7872 |
65.5 |
-3.5 |
0.357 |
1 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[2FU]D:201 |
4 |
1 |
228 |
cf |
B |
x,y,z |
1_555 |
4 |
2 |
7885 |
62.9 |
2.8 |
0.242 |
0 |
0 |
0 |
0.000 |
| 38 |
52 |
|
[CMO]C:202 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
7872 |
59.7 |
-1.4 |
0.491 |
0 |
0 |
0 |
0.023 |
| 39 |
53 |
|
[CMO]A:202 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
7805 |
58.7 |
-1.0 |
0.608 |
0 |
0 |
0 |
0.017 |
| 40 |
54 |
|
[2FU]D:201 |
3 |
1 |
228 |
c |
D |
x,y,z |
1_555 |
5 |
3 |
7959 |
58.6 |
3.0 |
0.377 |
0 |
0 |
0 |
0.000 |
| 41 |
55 |
|
[CMO]E:202 |
2 |
1 |
136 |
f |
E |
x,y,z |
1_555 |
8 |
7 |
7788 |
58.4 |
-0.8 |
0.701 |
0 |
0 |
0 |
0.015 |
| 42 |
56 |
|
[CMO]G:202 |
2 |
1 |
135 |
f |
G |
x,y,z |
1_555 |
9 |
7 |
7867 |
58.4 |
-0.7 |
0.702 |
0 |
0 |
0 |
0.013 |
| 43 |
57 |
|
A |
6 |
3 |
7805 |
◊ |
[HEM]G:201 |
x-1,y,z-1 |
1_454 |
4 |
1 |
839 |
47.1 |
-2.1 |
0.469 |
0 |
0 |
0 |
0.000 |
| 44 |
58 |
|
[CMO]A:202 |
2 |
1 |
135 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
20 |
1 |
841 |
46.1 |
-1.5 |
0.866 |
0 |
0 |
0 |
0.025 |
| 45 |
59 |
|
[CMO]C:202 |
2 |
1 |
137 |
f |
[HEM]C:201 |
x,y,z |
1_555 |
22 |
1 |
835 |
45.9 |
-1.3 |
0.866 |
0 |
0 |
0 |
0.023 |
| 46 |
60 |
|
H |
5 |
2 |
7883 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
8113 |
45.8 |
1.5 |
0.831 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
3 |
2 |
7959 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7885 |
11.3 |
0.5 |
0.848 |
0 |
0 |
0 |
0.000 |
| Average: |
28.6 |
1.0 |
0.839 |
0 |
0 |
0 |
0.000 |
| 47 |
62 |
|
[CMO]G:202 |
2 |
1 |
135 |
f |
[HEM]G:201 |
x,y,z |
1_555 |
20 |
1 |
839 |
45.8 |
-1.3 |
0.866 |
0 |
0 |
0 |
0.024 |
| 48 |
63 |
|
[CMO]E:202 |
2 |
1 |
136 |
f |
[HEM]E:201 |
x,y,z |
1_555 |
19 |
1 |
832 |
45.2 |
-1.3 |
0.866 |
0 |
0 |
0 |
0.025 |
| 49 |
64 |
|
D |
3 |
2 |
7959 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
7959 |
44.2 |
-0.6 |
0.294 |
0 |
0 |
0 |
0.000 |
| 50 |
65 |
|
D |
7 |
2 |
7959 |
◊ |
G |
x,y,z-1 |
1_554 |
3 |
1 |
7867 |
43.3 |
-1.1 |
0.247 |
0 |
0 |
0 |
0.000 |
| 51 |
66 |
|
C |
4 |
2 |
7872 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
2 |
7885 |
32.3 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
| 52 |
67 |
|
[HNI]F:201 |
2 |
1 |
836 |
f |
[CMO]F:202 |
x,y,z |
1_555 |
2 |
1 |
137 |
28.6 |
-0.9 |
0.656 |
0 |
0 |
0 |
0.015 |
| 53 |
68 |
|
E |
2 |
1 |
7788 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
7885 |
28.1 |
-0.6 |
0.332 |
0 |
0 |
0 |
0.000 |
| 54 |
69 |
|
[HNI]B:201 |
2 |
1 |
823 |
f |
[CMO]B:202 |
x,y,z |
1_555 |
2 |
1 |
137 |
28.0 |
-0.8 |
0.666 |
0 |
0 |
0 |
0.014 |
| 55 |
70 |
|
[HNI]H:201 |
2 |
1 |
835 |
f |
[CMO]H:202 |
x,y,z |
1_555 |
2 |
1 |
138 |
26.9 |
-0.5 |
0.659 |
0 |
0 |
0 |
0.009 |
| 56 |
71 |
|
[HNI]D:202 |
2 |
1 |
824 |
f |
[CMO]D:203 |
x,y,z |
1_555 |
2 |
1 |
137 |
25.8 |
-0.7 |
0.678 |
0 |
0 |
0 |
0.012 |
| 57 |
72 |
|
[2FU]F:204 |
2 |
1 |
229 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7867 |
9.3 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| 58 |
73 |
|
F |
2 |
1 |
8113 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
7788 |
9.0 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
| 59 |
74 |
|
F |
1 |
1 |
8113 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
7885 |
4.5 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
| 60 |
75 |
|
[HEM]G:201 |
1 |
1 |
839 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8113 |
3.9 |
0.1 |
0.890 |
0 |
0 |
0 |
0.000 |
76 |
|
[HEM]C:201 |
1 |
1 |
835 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7885 |
3.7 |
0.1 |
0.890 |
0 |
0 |
0 |
0.000 |
77 |
|
[HEM]A:201 |
1 |
1 |
841 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7959 |
1.8 |
0.0 |
0.863 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
0.1 |
0.881 |
0 |
0 |
0 |
0.000 |
| 61 |
78 |
|
[HNI]H:201 |
1 |
1 |
835 |
f |
[CMO]H:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
3.2 |
-0.1 |
0.638 |
0 |
0 |
0 |
0.002 |
| 62 |
79 |
|
[HNI]D:202 |
1 |
1 |
824 |
f |
[CMO]D:204 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.8 |
-0.1 |
0.638 |
0 |
0 |
0 |
0.002 |
| 63 |
80 |
|
[HNI]B:201 |
2 |
1 |
823 |
f |
[CMO]B:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.1 |
-0.1 |
0.675 |
0 |
0 |
0 |
0.001 |
| 64 |
81 |
|
[HNI]F:201 |
1 |
1 |
836 |
f |
[CMO]F:203 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.7 |
-0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
| 65 |
82 |
|
G |
1 |
1 |
7867 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7959 |
1.1 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 66 |
83 |
|
A |
1 |
1 |
7805 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
7959 |
0.3 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
|