## |
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 |
151 |
35 |
9689 |
◊ |
C |
-y-1/2,x+1/2,z+1/2 |
7_455 |
157 |
35 |
9578 |
1448.8 |
-5.3 |
0.442 |
28 |
7 |
0 |
0.411 |
2 |
|
E |
152 |
35 |
9583 |
◊ |
D |
x,y,z |
1_555 |
153 |
35 |
9610 |
1418.4 |
-2.6 |
0.645 |
27 |
7 |
0 |
0.411 |
3 |
|
F |
142 |
36 |
9664 |
◊ |
A |
x,y,z |
1_555 |
149 |
36 |
9601 |
1391.7 |
-7.1 |
0.361 |
24 |
10 |
0 |
0.411 |
Average: |
1419.6 |
-5.0 |
0.483 |
26 |
8 |
0 |
0.411 |
2 |
4 |
|
D |
73 |
19 |
9610 |
◊ |
B |
-y,x,z |
3_555 |
68 |
18 |
9689 |
693.4 |
-2.9 |
0.396 |
8 |
4 |
0 |
0.199 |
5 |
|
C |
74 |
21 |
9578 |
◊ |
A |
x,y,z |
1_555 |
68 |
16 |
9601 |
688.1 |
-4.2 |
0.277 |
7 |
2 |
0 |
0.199 |
6 |
|
C |
68 |
17 |
9578 |
◊ |
F |
-y-1,x,z |
3_455 |
70 |
19 |
9664 |
683.9 |
-3.5 |
0.255 |
8 |
3 |
0 |
0.199 |
7 |
|
E |
67 |
17 |
9583 |
◊ |
B |
x,y,z |
1_555 |
73 |
20 |
9689 |
681.3 |
-4.2 |
0.310 |
4 |
2 |
0 |
0.199 |
8 |
|
D |
68 |
16 |
9610 |
◊ |
E |
-y,x,z |
3_555 |
69 |
19 |
9583 |
681.3 |
-4.4 |
0.288 |
5 |
5 |
0 |
0.199 |
9 |
|
A |
70 |
19 |
9601 |
◊ |
F |
-y-1,x,z |
3_455 |
65 |
16 |
9664 |
653.9 |
-4.4 |
0.278 |
5 |
3 |
0 |
0.199 |
Average: |
680.3 |
-4.0 |
0.301 |
6 |
3 |
0 |
0.199 |
3 |
10 |
|
A |
59 |
12 |
9601 |
x |
A |
-y-1,x,z |
3_455 |
58 |
13 |
9601 |
518.4 |
-4.2 |
0.277 |
2 |
0 |
0 |
0.259 |
11 |
|
E |
58 |
14 |
9583 |
x |
E |
-y,x,z |
3_555 |
51 |
11 |
9583 |
512.9 |
-5.7 |
0.200 |
2 |
0 |
0 |
0.259 |
12 |
|
F |
52 |
12 |
9664 |
x |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
55 |
14 |
9689 |
510.9 |
-4.6 |
0.247 |
3 |
1 |
0 |
0.259 |
13 |
|
F |
59 |
14 |
9664 |
x |
C |
x,y,z |
1_555 |
52 |
11 |
9578 |
506.8 |
-4.2 |
0.276 |
3 |
0 |
0 |
0.259 |
14 |
|
D |
55 |
13 |
9610 |
x |
B |
x,y,z |
1_555 |
54 |
12 |
9689 |
491.6 |
-4.9 |
0.218 |
2 |
1 |
0 |
0.259 |
15 |
|
C |
53 |
14 |
9578 |
x |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
56 |
13 |
9610 |
481.8 |
-4.9 |
0.202 |
2 |
0 |
0 |
0.259 |
Average: |
503.7 |
-4.7 |
0.237 |
2 |
0 |
0 |
0.259 |
4 |
16 |
|
F |
22 |
10 |
9664 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
9610 |
211.3 |
0.5 |
0.626 |
2 |
1 |
0 |
0.000 |
17 |
|
E |
20 |
7 |
9583 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
9601 |
164.7 |
-0.3 |
0.580 |
2 |
0 |
0 |
0.000 |
Average: |
188.0 |
0.1 |
0.603 |
2 |
1 |
0 |
0.000 |
5 |
18 |
|
D |
22 |
7 |
9610 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
9601 |
191.9 |
1.0 |
0.739 |
3 |
0 |
0 |
0.000 |
6 |
19 |
|
B |
20 |
8 |
9689 |
◊ |
B |
-x-1,-y,z |
2_455 |
20 |
8 |
9689 |
126.4 |
0.3 |
0.632 |
0 |
0 |
0 |
0.000 |
7 |
20 |
|
C |
16 |
7 |
9578 |
◊ |
C |
-x-1,-y,z |
2_455 |
16 |
7 |
9578 |
82.5 |
0.5 |
0.665 |
0 |
0 |
0 |
0.000 |
8 |
21 |
|
[FE]B:202 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
10 |
7 |
9689 |
74.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.639 |
22 |
|
[FE]A:203 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
9601 |
73.8 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.639 |
23 |
|
[FE]E:203 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
9583 |
73.1 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.639 |
24 |
|
[FE]D:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
9610 |
71.3 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.639 |
25 |
|
[FE]F:201 |
1 |
1 |
137 |
cf |
F |
x,y,z |
1_555 |
9 |
6 |
9664 |
71.1 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.639 |
26 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
9578 |
70.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.639 |
Average: |
72.4 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.639 |
9 |
27 |
|
C |
8 |
3 |
9578 |
◊ |
B |
-y-1/2,x+1/2,z-1/2 |
7_454 |
10 |
6 |
9689 |
73.9 |
-0.4 |
0.507 |
0 |
0 |
0 |
0.000 |
10 |
28 |
|
[NI]A:201 |
1 |
1 |
115 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
9601 |
37.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.209 |
29 |
|
[NI]E:201 |
1 |
1 |
115 |
x |
E |
x,y,z |
1_555 |
5 |
2 |
9583 |
35.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.209 |
30 |
|
[NI]B:201 |
1 |
1 |
115 |
x |
D |
x,y,z |
1_555 |
4 |
2 |
9610 |
29.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.209 |
31 |
|
[NI]B:201 |
1 |
1 |
115 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
9689 |
27.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.209 |
32 |
|
F |
4 |
2 |
9664 |
x |
[NI]B:201 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
115 |
26.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.209 |
33 |
|
C |
4 |
2 |
9578 |
x |
[NI]B:201 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
115 |
25.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.209 |
Average: |
30.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.209 |
11 |
34 |
|
A |
5 |
2 |
9601 |
◊ |
A |
-x-1,-y-1,z |
2_445 |
4 |
2 |
9601 |
27.6 |
-1.6 |
0.085 |
0 |
0 |
0 |
0.032 |
35 |
|
E |
3 |
2 |
9583 |
◊ |
E |
-x,-y,z |
2_555 |
3 |
2 |
9583 |
24.4 |
-0.8 |
0.184 |
0 |
0 |
0 |
0.032 |
36 |
|
F |
3 |
2 |
9664 |
◊ |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
3 |
2 |
9610 |
19.9 |
-1.0 |
0.141 |
0 |
0 |
0 |
0.032 |
37 |
|
C |
2 |
1 |
9578 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
9689 |
11.9 |
-0.3 |
0.295 |
0 |
0 |
0 |
0.032 |
Average: |
20.9 |
-0.9 |
0.176 |
0 |
0 |
0 |
0.032 |
12 |
38 |
|
F |
3 |
3 |
9664 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
9583 |
20.4 |
0.4 |
0.732 |
0 |
0 |
0 |
0.000 |
13 |
39 |
|
[NI]C:201 |
1 |
1 |
115 |
x |
F |
x,y,z |
1_555 |
2 |
1 |
9664 |
19.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.054 |
40 |
|
[NI]C:201 |
1 |
1 |
115 |
x |
C |
x,y,z |
1_555 |
2 |
1 |
9578 |
15.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.054 |
41 |
|
[NI]A:202 |
1 |
1 |
115 |
x |
A |
x,y,z |
1_555 |
3 |
1 |
9601 |
14.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.054 |
42 |
|
[NI]C:201 |
1 |
1 |
115 |
x |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
9689 |
10.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.054 |
43 |
|
[NI]E:202 |
1 |
1 |
115 |
x |
E |
x,y,z |
1_555 |
2 |
1 |
9583 |
5.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.054 |
44 |
|
[NI]C:201 |
1 |
1 |
115 |
x |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
9610 |
1.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
11.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.054 |
|