| ## |
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 |
|
B |
338 |
91 |
12226 |
◊ |
A |
x,y,z |
1_555 |
311 |
71 |
12215 |
3124.8 |
-34.3 |
0.327 |
44 |
6 |
0 |
0.813 |
2 |
|
H |
330 |
90 |
12189 |
◊ |
G |
x,y,z |
1_555 |
309 |
72 |
12100 |
3108.8 |
-36.4 |
0.312 |
44 |
5 |
0 |
0.813 |
3 |
|
D |
331 |
89 |
12315 |
◊ |
C |
x,y,z |
1_555 |
313 |
73 |
12125 |
3106.1 |
-35.1 |
0.351 |
43 |
8 |
0 |
0.813 |
4 |
|
L |
337 |
92 |
12290 |
◊ |
K |
x,y,z |
1_555 |
311 |
72 |
12149 |
3101.3 |
-33.8 |
0.369 |
44 |
7 |
0 |
0.813 |
5 |
|
N |
332 |
89 |
12248 |
◊ |
M |
x,y,z |
1_555 |
308 |
72 |
12279 |
3094.5 |
-37.7 |
0.201 |
40 |
5 |
0 |
0.813 |
6 |
|
P |
327 |
90 |
12103 |
◊ |
O |
x,y,z |
1_555 |
314 |
69 |
12265 |
3094.2 |
-37.5 |
0.261 |
41 |
5 |
0 |
0.813 |
7 |
|
F |
334 |
92 |
12312 |
◊ |
E |
x,y,z |
1_555 |
304 |
73 |
12133 |
3087.9 |
-35.4 |
0.320 |
41 |
6 |
0 |
0.813 |
8 |
|
J |
321 |
89 |
12242 |
◊ |
I |
x,y,z |
1_555 |
306 |
70 |
12250 |
3083.5 |
-36.6 |
0.247 |
42 |
6 |
0 |
0.813 |
| Average: |
3100.1 |
-35.9 |
0.298 |
42 |
6 |
0 |
0.813 |
| 2 |
9 |
|
N |
118 |
33 |
12248 |
◊ |
H |
x,y,z |
1_555 |
124 |
34 |
12189 |
1149.7 |
-12.5 |
0.425 |
5 |
0 |
0 |
1.000 |
10 |
|
P |
126 |
33 |
12103 |
◊ |
F |
x,y-1,z |
1_545 |
121 |
32 |
12312 |
1134.8 |
-13.7 |
0.386 |
4 |
0 |
0 |
1.000 |
11 |
|
J |
118 |
32 |
12242 |
◊ |
D |
x,y,z |
1_555 |
125 |
33 |
12315 |
1134.7 |
-15.9 |
0.259 |
4 |
0 |
0 |
1.000 |
12 |
|
L |
118 |
32 |
12290 |
◊ |
B |
x,y,z |
1_555 |
117 |
31 |
12226 |
1120.2 |
-14.2 |
0.311 |
5 |
0 |
0 |
1.000 |
| Average: |
1134.9 |
-14.1 |
0.345 |
5 |
0 |
0 |
1.000 |
| 3 |
13 |
|
I |
81 |
20 |
12250 |
◊ |
E |
x,y,z |
1_555 |
85 |
23 |
12133 |
815.8 |
-13.3 |
0.170 |
6 |
0 |
0 |
0.411 |
14 |
|
C |
89 |
22 |
12125 |
◊ |
O |
-y,x-y,z+1/3 |
2_555 |
79 |
20 |
12265 |
813.5 |
-13.3 |
0.176 |
5 |
0 |
0 |
0.411 |
15 |
|
A |
83 |
20 |
12215 |
◊ |
G |
-y+1,x-y+1,z+1/3 |
2_665 |
83 |
23 |
12100 |
811.5 |
-13.1 |
0.181 |
6 |
0 |
0 |
0.411 |
16 |
|
M |
82 |
19 |
12279 |
◊ |
K |
x,y,z |
1_555 |
87 |
22 |
12149 |
802.9 |
-12.5 |
0.200 |
6 |
0 |
0 |
0.411 |
| Average: |
810.9 |
-13.1 |
0.182 |
6 |
0 |
0 |
0.411 |
| 4 |
17 |
|
O |
87 |
30 |
12265 |
◊ |
M |
x,y,z |
1_555 |
91 |
30 |
12279 |
756.4 |
-7.9 |
0.512 |
3 |
0 |
0 |
0.107 |
18 |
|
I |
79 |
28 |
12250 |
◊ |
A |
x-1,y,z |
1_455 |
81 |
29 |
12215 |
705.9 |
-8.6 |
0.394 |
3 |
0 |
0 |
0.107 |
| Average: |
731.2 |
-8.3 |
0.453 |
3 |
0 |
0 |
0.107 |
| 5 |
19 |
|
C |
23 |
7 |
12125 |
◊ |
M |
-y,x-y,z+1/3 |
2_555 |
33 |
14 |
12279 |
245.5 |
-2.4 |
0.404 |
1 |
0 |
0 |
0.081 |
20 |
|
O |
36 |
12 |
12265 |
◊ |
K |
x,y,z |
1_555 |
20 |
6 |
12149 |
243.8 |
-4.2 |
0.248 |
1 |
0 |
0 |
0.081 |
21 |
|
E |
18 |
7 |
12133 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
13 |
12215 |
226.9 |
-1.9 |
0.396 |
1 |
0 |
0 |
0.081 |
22 |
|
I |
35 |
13 |
12250 |
◊ |
G |
-y,x-y+1,z+1/3 |
2_565 |
19 |
6 |
12100 |
207.0 |
-3.7 |
0.284 |
0 |
0 |
0 |
0.081 |
| Average: |
230.8 |
-3.0 |
0.333 |
1 |
0 |
0 |
0.081 |
| 6 |
23 |
|
H |
25 |
10 |
12189 |
◊ |
F |
x,y,z |
1_555 |
27 |
10 |
12312 |
243.8 |
-0.5 |
0.744 |
4 |
0 |
0 |
0.000 |
24 |
|
L |
27 |
10 |
12290 |
◊ |
D |
x,y,z |
1_555 |
27 |
10 |
12315 |
234.9 |
-0.4 |
0.757 |
4 |
0 |
0 |
0.000 |
| Average: |
239.3 |
-0.4 |
0.750 |
4 |
0 |
0 |
0.000 |
| 7 |
25 |
|
D |
21 |
8 |
12315 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
12250 |
143.6 |
1.8 |
0.895 |
5 |
5 |
0 |
0.017 |
26 |
|
O |
12 |
4 |
12265 |
◊ |
F |
x,y-1,z |
1_545 |
18 |
8 |
12312 |
143.0 |
1.8 |
0.890 |
5 |
6 |
0 |
0.017 |
27 |
|
J |
20 |
8 |
12242 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
12125 |
142.6 |
1.8 |
0.891 |
5 |
7 |
0 |
0.017 |
28 |
|
B |
20 |
8 |
12226 |
◊ |
K |
x,y,z |
1_555 |
12 |
4 |
12149 |
141.2 |
1.7 |
0.877 |
5 |
6 |
0 |
0.017 |
29 |
|
N |
20 |
8 |
12248 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
12100 |
139.3 |
1.7 |
0.878 |
4 |
5 |
0 |
0.017 |
30 |
|
L |
20 |
8 |
12290 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12215 |
137.6 |
2.0 |
0.908 |
5 |
6 |
0 |
0.017 |
31 |
|
P |
19 |
8 |
12103 |
◊ |
E |
x,y-1,z |
1_545 |
9 |
4 |
12133 |
137.6 |
2.0 |
0.908 |
5 |
7 |
0 |
0.017 |
32 |
|
H |
19 |
8 |
12189 |
◊ |
M |
x,y,z |
1_555 |
12 |
4 |
12279 |
137.2 |
2.9 |
0.950 |
5 |
6 |
0 |
0.017 |
| Average: |
140.3 |
2.0 |
0.900 |
5 |
6 |
0 |
0.017 |
| 8 |
33 |
|
L |
7 |
2 |
12290 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
12250 |
94.9 |
0.5 |
0.704 |
2 |
1 |
0 |
0.000 |
34 |
|
F |
9 |
3 |
12312 |
◊ |
M |
x,y,z |
1_555 |
12 |
3 |
12279 |
85.0 |
0.3 |
0.752 |
3 |
0 |
0 |
0.000 |
35 |
|
D |
9 |
3 |
12315 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
12215 |
83.0 |
0.1 |
0.716 |
1 |
0 |
0 |
0.000 |
36 |
|
O |
9 |
3 |
12265 |
◊ |
H |
x,y-1,z |
1_545 |
6 |
1 |
12189 |
66.6 |
0.2 |
0.710 |
1 |
0 |
0 |
0.000 |
| Average: |
82.4 |
0.3 |
0.720 |
2 |
0 |
0 |
0.000 |
| 9 |
37 |
|
C |
7 |
5 |
12125 |
◊ |
N |
-y,x-y,z+1/3 |
2_555 |
7 |
3 |
12248 |
65.1 |
-1.0 |
0.421 |
0 |
0 |
0 |
0.007 |
38 |
|
E |
6 |
4 |
12133 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
12226 |
64.5 |
-1.1 |
0.350 |
0 |
0 |
0 |
0.007 |
39 |
|
J |
6 |
2 |
12242 |
◊ |
G |
-y,x-y+1,z+1/3 |
2_565 |
6 |
4 |
12100 |
54.4 |
-1.2 |
0.342 |
0 |
0 |
0 |
0.007 |
40 |
|
P |
5 |
3 |
12103 |
◊ |
K |
x,y,z |
1_555 |
8 |
6 |
12149 |
33.9 |
-0.5 |
0.531 |
0 |
0 |
0 |
0.007 |
| Average: |
54.5 |
-0.9 |
0.411 |
0 |
0 |
0 |
0.007 |
| 10 |
41 |
|
[FE]I:301 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
5 |
3 |
12250 |
59.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.601 |
42 |
|
[FE]K:301 |
1 |
1 |
137 |
f |
K |
x,y,z |
1_555 |
4 |
3 |
12149 |
58.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.601 |
43 |
|
[FE]G:301 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
3 |
3 |
12100 |
58.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.601 |
44 |
|
[FE]E:301 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
12133 |
58.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.601 |
45 |
|
[FE]O:301 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
3 |
3 |
12265 |
58.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.601 |
46 |
|
[FE]M:301 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
5 |
3 |
12279 |
58.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.601 |
47 |
|
[FE]C:301 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
12125 |
57.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.601 |
48 |
|
[FE]A:301 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12215 |
57.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.601 |
| Average: |
58.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.601 |
| 11 |
49 |
|
[FE]M:301 |
1 |
1 |
137 |
◊ |
N |
x,y,z |
1_555 |
5 |
3 |
12248 |
25.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
50 |
|
[FE]A:301 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12226 |
24.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.026 |
51 |
|
[FE]E:301 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
12312 |
24.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
52 |
|
[FE]C:301 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
12315 |
23.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
53 |
|
[FE]O:301 |
1 |
1 |
137 |
◊ |
P |
x,y,z |
1_555 |
6 |
3 |
12103 |
23.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
54 |
|
[FE]I:301 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
12242 |
22.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
55 |
|
[FE]K:301 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
12290 |
21.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.026 |
56 |
|
[FE]G:301 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
12189 |
21.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.026 |
| Average: |
23.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
| 12 |
57 |
|
N |
2 |
1 |
12248 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
12265 |
17.1 |
-0.4 |
0.257 |
0 |
0 |
0 |
0.002 |
58 |
|
I |
1 |
1 |
12250 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
12226 |
16.9 |
-0.4 |
0.259 |
0 |
0 |
0 |
0.002 |
59 |
|
J |
2 |
1 |
12242 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
12215 |
16.6 |
-0.4 |
0.268 |
0 |
0 |
0 |
0.002 |
60 |
|
P |
2 |
1 |
12103 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
12279 |
15.8 |
-0.4 |
0.270 |
0 |
0 |
0 |
0.002 |
| Average: |
16.6 |
-0.4 |
0.263 |
0 |
0 |
0 |
0.002 |
|