| ## |
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 |
|
I |
115 |
35 |
8229 |
◊ |
C |
x,y,z |
1_555 |
115 |
34 |
8181 |
1205.0 |
-20.0 |
0.120 |
11 |
2 |
0 |
0.515 |
2 |
|
L |
114 |
36 |
8128 |
◊ |
F |
x,y,z |
1_555 |
117 |
35 |
8116 |
1202.6 |
-21.0 |
0.074 |
8 |
3 |
0 |
0.515 |
3 |
|
J |
113 |
34 |
8121 |
◊ |
A |
x,y,z |
1_555 |
118 |
36 |
8032 |
1198.2 |
-20.0 |
0.102 |
8 |
4 |
0 |
0.515 |
4 |
|
K |
112 |
34 |
8027 |
◊ |
H |
x,y,z |
1_555 |
109 |
33 |
8087 |
1180.2 |
-22.0 |
0.053 |
12 |
5 |
0 |
0.515 |
5 |
|
G |
113 |
33 |
8085 |
◊ |
D |
x,y,z |
1_555 |
116 |
35 |
8072 |
1176.4 |
-19.7 |
0.104 |
9 |
1 |
0 |
0.515 |
6 |
|
E |
107 |
33 |
8069 |
◊ |
B |
x,y,z |
1_555 |
106 |
33 |
8160 |
1166.9 |
-20.1 |
0.066 |
9 |
3 |
0 |
0.515 |
| Average: |
1188.2 |
-20.5 |
0.087 |
10 |
3 |
0 |
0.515 |
| 2 |
7 |
|
G |
38 |
10 |
8085 |
◊ |
F |
x,y,z |
1_555 |
45 |
13 |
8116 |
399.6 |
-7.0 |
0.206 |
2 |
0 |
0 |
0.192 |
8 |
|
D |
46 |
13 |
8072 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
8160 |
381.2 |
-6.3 |
0.253 |
3 |
0 |
0 |
0.192 |
9 |
|
K |
42 |
12 |
8027 |
◊ |
F |
x,y,z |
1_555 |
38 |
10 |
8116 |
363.5 |
-7.7 |
0.140 |
2 |
0 |
0 |
0.192 |
10 |
|
J |
40 |
9 |
8121 |
◊ |
C |
x,y,z |
1_555 |
42 |
13 |
8181 |
359.1 |
-7.0 |
0.201 |
3 |
0 |
0 |
0.192 |
11 |
|
J |
42 |
13 |
8121 |
◊ |
H |
x,y,z |
1_555 |
43 |
11 |
8087 |
352.7 |
-7.1 |
0.226 |
1 |
0 |
0 |
0.192 |
12 |
|
E |
34 |
9 |
8069 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
8032 |
352.1 |
-7.2 |
0.155 |
3 |
0 |
0 |
0.192 |
13 |
|
L |
39 |
11 |
8128 |
◊ |
A |
x,y,z |
1_555 |
36 |
8 |
8032 |
351.6 |
-7.0 |
0.166 |
1 |
0 |
0 |
0.192 |
14 |
|
H |
39 |
11 |
8087 |
◊ |
C |
x,y,z |
1_555 |
38 |
9 |
8181 |
327.9 |
-4.2 |
0.421 |
3 |
0 |
0 |
0.192 |
15 |
|
L |
37 |
10 |
8128 |
◊ |
E |
x,y,z |
1_555 |
31 |
8 |
8069 |
324.8 |
-5.6 |
0.270 |
2 |
0 |
0 |
0.192 |
16 |
|
K |
38 |
10 |
8027 |
◊ |
G |
x,y,z |
1_555 |
33 |
9 |
8085 |
321.7 |
-5.2 |
0.332 |
3 |
0 |
0 |
0.192 |
17 |
|
I |
36 |
8 |
8229 |
◊ |
D |
x,y,z |
1_555 |
38 |
10 |
8072 |
319.2 |
-4.8 |
0.378 |
1 |
0 |
0 |
0.192 |
18 |
|
I |
36 |
9 |
8229 |
◊ |
B |
x,y,z |
1_555 |
30 |
7 |
8160 |
318.0 |
-3.5 |
0.463 |
4 |
0 |
0 |
0.192 |
| Average: |
347.6 |
-6.0 |
0.268 |
2 |
0 |
0 |
0.192 |
| 3 |
19 |
|
C |
46 |
11 |
8181 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
8032 |
355.3 |
-1.3 |
0.723 |
3 |
2 |
0 |
0.105 |
20 |
|
I |
33 |
9 |
8229 |
◊ |
H |
x,y,z |
1_555 |
44 |
12 |
8087 |
354.6 |
-2.5 |
0.623 |
3 |
2 |
0 |
0.105 |
21 |
|
L |
33 |
9 |
8128 |
◊ |
K |
x,y,z |
1_555 |
46 |
12 |
8027 |
345.5 |
-2.7 |
0.543 |
3 |
2 |
0 |
0.105 |
22 |
|
F |
43 |
10 |
8116 |
◊ |
D |
x,y,z |
1_555 |
36 |
10 |
8072 |
343.7 |
-1.2 |
0.723 |
4 |
2 |
0 |
0.105 |
23 |
|
K |
32 |
9 |
8027 |
◊ |
J |
x,y,z |
1_555 |
42 |
10 |
8121 |
340.5 |
-1.7 |
0.669 |
4 |
2 |
0 |
0.105 |
24 |
|
H |
34 |
9 |
8087 |
◊ |
G |
x,y,z |
1_555 |
44 |
11 |
8085 |
337.1 |
-3.5 |
0.527 |
2 |
1 |
0 |
0.105 |
25 |
|
I |
45 |
10 |
8229 |
◊ |
G |
x,y,z |
1_555 |
35 |
11 |
8085 |
336.2 |
-2.6 |
0.621 |
2 |
1 |
0 |
0.105 |
26 |
|
B |
34 |
9 |
8160 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
8032 |
335.2 |
-2.3 |
0.614 |
2 |
1 |
0 |
0.105 |
27 |
|
F |
34 |
10 |
8116 |
◊ |
E |
x,y,z |
1_555 |
45 |
11 |
8069 |
334.2 |
-2.5 |
0.613 |
4 |
1 |
0 |
0.105 |
28 |
|
L |
43 |
12 |
8128 |
◊ |
J |
x,y,z |
1_555 |
36 |
9 |
8121 |
333.9 |
-2.7 |
0.593 |
3 |
1 |
0 |
0.105 |
29 |
|
E |
34 |
10 |
8069 |
◊ |
D |
x,y,z |
1_555 |
42 |
10 |
8072 |
332.3 |
-1.9 |
0.649 |
4 |
2 |
0 |
0.105 |
30 |
|
C |
34 |
9 |
8181 |
◊ |
B |
x,y,z |
1_555 |
42 |
10 |
8160 |
327.7 |
-2.3 |
0.617 |
3 |
2 |
0 |
0.105 |
| Average: |
339.7 |
-2.3 |
0.626 |
3 |
2 |
0 |
0.105 |
| 4 |
31 |
|
G |
36 |
14 |
8085 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
27 |
10 |
8121 |
251.3 |
3.4 |
0.931 |
1 |
0 |
0 |
0.000 |
| 5 |
32 |
|
D |
20 |
6 |
8072 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
22 |
6 |
8181 |
185.0 |
-0.4 |
0.708 |
2 |
1 |
0 |
0.000 |
33 |
|
F |
18 |
6 |
8116 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
6 |
8032 |
162.1 |
-0.9 |
0.618 |
2 |
0 |
0 |
0.000 |
| Average: |
173.6 |
-0.7 |
0.663 |
2 |
1 |
0 |
0.000 |
| 6 |
34 |
|
H |
17 |
6 |
8087 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
12 |
5 |
8121 |
140.5 |
-0.2 |
0.699 |
1 |
1 |
0 |
0.000 |
| 7 |
35 |
|
G |
14 |
5 |
8085 |
◊ |
K |
-x,y-1/2,-z-1 |
2_544 |
10 |
4 |
8027 |
115.6 |
-1.0 |
0.538 |
0 |
0 |
0 |
0.000 |
| 8 |
36 |
|
D |
15 |
5 |
8072 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
9 |
4 |
8128 |
98.8 |
0.4 |
0.767 |
1 |
1 |
0 |
0.000 |
37 |
|
I |
10 |
4 |
8229 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
4 |
8032 |
96.2 |
0.8 |
0.816 |
2 |
1 |
0 |
0.000 |
| Average: |
97.5 |
0.6 |
0.791 |
2 |
1 |
0 |
0.000 |
| 9 |
38 |
|
I |
8 |
3 |
8229 |
◊ |
L |
x-1,y,z-1 |
1_454 |
9 |
3 |
8128 |
91.8 |
0.7 |
0.772 |
0 |
0 |
0 |
0.000 |
| 10 |
39 |
|
D |
11 |
3 |
8072 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
4 |
8032 |
75.7 |
-0.2 |
0.667 |
2 |
0 |
0 |
0.000 |
40 |
|
D |
12 |
3 |
8072 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
9 |
3 |
8032 |
75.5 |
-0.1 |
0.681 |
2 |
0 |
0 |
0.000 |
| Average: |
75.6 |
-0.2 |
0.674 |
2 |
0 |
0 |
0.000 |
| 11 |
41 |
|
F |
8 |
3 |
8116 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
7 |
3 |
8121 |
66.7 |
0.6 |
0.784 |
0 |
0 |
0 |
0.000 |
42 |
|
G |
7 |
3 |
8085 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
3 |
8181 |
57.0 |
0.7 |
0.820 |
1 |
0 |
0 |
0.000 |
| Average: |
61.8 |
0.7 |
0.802 |
1 |
0 |
0 |
0.000 |
| 12 |
43 |
|
B |
10 |
5 |
8160 |
◊ |
K |
x-1,y,z |
1_455 |
9 |
5 |
8027 |
57.3 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| 13 |
44 |
|
[FE]H:201 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
9 |
5 |
8027 |
55.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.297 |
45 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
L |
x,y,z |
1_555 |
8 |
5 |
8128 |
55.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.297 |
46 |
|
[FE]G:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8072 |
54.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.297 |
47 |
|
[FE]I:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8181 |
54.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.297 |
48 |
|
[FE]J:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8032 |
54.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.297 |
49 |
|
[FE]E:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8160 |
54.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.297 |
50 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
8085 |
54.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.297 |
51 |
|
[FE]L:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
8116 |
53.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.297 |
52 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
8121 |
53.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.297 |
53 |
|
[FE]B:201 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
8069 |
53.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.297 |
54 |
|
[FE]K:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
8087 |
51.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.297 |
55 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
11 |
5 |
8229 |
51.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.297 |
| Average: |
53.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.297 |
| 14 |
56 |
|
[FE]E:201 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
8069 |
52.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.233 |
57 |
|
[FE]B:201 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8160 |
50.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.233 |
58 |
|
[FE]K:201 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
6 |
2 |
8027 |
50.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.233 |
59 |
|
[FE]F:201 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
8116 |
50.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.233 |
60 |
|
[FE]C:201 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8181 |
50.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.233 |
61 |
|
[FE]L:201 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
8128 |
49.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.233 |
62 |
|
[FE]A:201 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8032 |
49.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.233 |
63 |
|
[FE]H:201 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8087 |
49.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.233 |
64 |
|
[FE]J:201 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
8121 |
49.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.233 |
65 |
|
[FE]G:201 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
8085 |
48.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.233 |
66 |
|
[FE]I:201 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8229 |
47.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.233 |
67 |
|
[FE]D:201 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8072 |
47.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.233 |
| Average: |
49.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.233 |
| 15 |
68 |
|
G |
4 |
2 |
8085 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
3 |
2 |
8087 |
14.4 |
-0.4 |
0.483 |
0 |
0 |
0 |
0.000 |
| 16 |
69 |
|
C |
1 |
1 |
8181 |
◊ |
K |
x-1,y,z |
1_455 |
2 |
1 |
8027 |
14.0 |
0.3 |
0.819 |
0 |
0 |
0 |
0.000 |
| 17 |
70 |
|
[FE]D:201 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
8116 |
7.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
71 |
|
[FE]K:201 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
8121 |
5.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
72 |
|
[FE]A:201 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8181 |
5.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
73 |
|
[FE]C:201 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8160 |
5.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
74 |
|
[FE]I:201 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8087 |
4.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
75 |
|
[FE]L:201 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
8027 |
3.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
76 |
|
[FE]B:201 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8032 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
77 |
|
[FE]E:201 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8072 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.005 |
78 |
|
[FE]H:201 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8085 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.005 |
79 |
|
[FE]J:201 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
8128 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
3.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 18 |
80 |
|
D |
2 |
2 |
8072 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
1 |
1 |
8121 |
7.0 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
| 19 |
81 |
|
I |
1 |
1 |
8229 |
◊ |
F |
x-1,y,z-1 |
1_454 |
2 |
1 |
8116 |
4.5 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
| 20 |
82 |
|
K |
2 |
1 |
8027 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
8121 |
3.0 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
|