## |
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 |
|
C |
125 |
30 |
9150 |
◊ |
D |
-z,x+1/2,-y+1/2 |
8_555 |
126 |
30 |
9101 |
1241.3 |
-17.3 |
0.071 |
10 |
2 |
0 |
0.232 |
2 |
|
B |
130 |
30 |
9143 |
◊ |
A |
x,y,z |
1_555 |
129 |
30 |
9319 |
1238.1 |
-17.4 |
0.073 |
11 |
2 |
0 |
0.232 |
Average: |
1239.7 |
-17.4 |
0.072 |
11 |
2 |
0 |
0.232 |
2 |
3 |
|
C |
75 |
20 |
9150 |
x |
A |
x,y,z |
1_555 |
71 |
20 |
9319 |
698.1 |
-2.0 |
0.542 |
11 |
6 |
0 |
0.127 |
4 |
|
C |
70 |
20 |
9150 |
x |
B |
-z,x+1/2,-y+1/2 |
8_555 |
71 |
20 |
9143 |
697.3 |
-2.0 |
0.549 |
12 |
6 |
0 |
0.127 |
5 |
|
A |
73 |
19 |
9319 |
x |
B |
-z,x+1/2,-y+1/2 |
8_555 |
66 |
19 |
9143 |
690.5 |
-2.2 |
0.524 |
10 |
6 |
0 |
0.127 |
6 |
|
D |
76 |
18 |
9101 |
x |
D |
-z,x+1/2,-y+1/2 |
8_555 |
70 |
19 |
9101 |
674.1 |
-1.2 |
0.592 |
14 |
7 |
0 |
0.127 |
Average: |
690.0 |
-1.9 |
0.552 |
12 |
6 |
0 |
0.127 |
3 |
7 |
|
A |
50 |
13 |
9319 |
x |
A |
-z,x+1/2,-y+1/2 |
8_555 |
59 |
16 |
9319 |
497.1 |
-3.9 |
0.412 |
5 |
4 |
0 |
0.105 |
8 |
|
D |
48 |
12 |
9101 |
x |
C |
x,y,z |
1_555 |
62 |
17 |
9150 |
496.4 |
-4.1 |
0.400 |
4 |
4 |
0 |
0.105 |
9 |
|
D |
61 |
17 |
9101 |
x |
B |
x,y,z |
1_555 |
48 |
12 |
9143 |
490.2 |
-4.0 |
0.402 |
4 |
4 |
0 |
0.105 |
10 |
|
C |
50 |
12 |
9150 |
x |
B |
x,y,z |
1_555 |
58 |
16 |
9143 |
484.9 |
-4.1 |
0.395 |
5 |
4 |
0 |
0.105 |
Average: |
492.1 |
-4.0 |
0.402 |
5 |
4 |
0 |
0.105 |
4 |
11 |
|
A |
25 |
7 |
9319 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
23 |
12 |
9101 |
215.2 |
0.9 |
0.759 |
3 |
0 |
0 |
0.000 |
5 |
12 |
|
C |
23 |
6 |
9150 |
◊ |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
17 |
7 |
9319 |
160.4 |
0.4 |
0.528 |
1 |
1 |
0 |
0.000 |
6 |
13 |
|
[BEN]A:1170 |
9 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
9319 |
113.8 |
2.5 |
0.123 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
7 |
3 |
9150 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
12 |
4 |
9101 |
87.5 |
0.6 |
0.744 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
A |
13 |
4 |
9319 |
◊ |
C |
-z-1/2,-x,y-1/2 |
7_454 |
9 |
4 |
9150 |
79.0 |
1.8 |
0.858 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
7 |
3 |
9150 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
7 |
4 |
9143 |
70.0 |
0.1 |
0.482 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[FE]D:6205 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9101 |
61.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.240 |
18 |
|
[FE]C:6205 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
9150 |
61.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.240 |
19 |
|
[FE]B:6205 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9143 |
60.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.240 |
20 |
|
[FE]A:6205 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9319 |
60.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
60.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.240 |
11 |
21 |
|
[FE]C:6204 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9150 |
61.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.240 |
22 |
|
[FE]B:6204 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9143 |
61.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.240 |
23 |
|
[FE]A:6204 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
9319 |
60.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.240 |
24 |
|
[FE]D:6204 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
9101 |
60.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
60.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.240 |
12 |
25 |
|
B |
6 |
2 |
9143 |
x |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
4 |
1 |
9143 |
57.4 |
0.4 |
0.725 |
3 |
3 |
0 |
0.000 |
13 |
26 |
|
A |
5 |
2 |
9319 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
8 |
5 |
9143 |
53.8 |
1.1 |
0.758 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9319 |
53.0 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.198 |
28 |
|
[MG]C:1001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
9150 |
52.8 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.198 |
29 |
|
[MG]B:1001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9143 |
52.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.198 |
30 |
|
[MG]D:1001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
9101 |
52.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.198 |
Average: |
52.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.198 |
15 |
31 |
|
[BEN]A:1170 |
5 |
1 |
278 |
f |
D |
x-1/2,-y+3/2,-z |
4_465 |
3 |
2 |
9101 |
30.2 |
-0.2 |
0.031 |
0 |
0 |
0 |
0.002 |
16 |
32 |
|
[FE]D:6205 |
1 |
1 |
137 |
f |
[FE]D:6204 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.048 |
17 |
33 |
|
[FE]B:6205 |
1 |
1 |
137 |
f |
[FE]B:6204 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.047 |
18 |
34 |
|
[FE]A:6205 |
1 |
1 |
137 |
f |
[FE]A:6204 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.046 |
19 |
35 |
|
[FE]C:6205 |
1 |
1 |
137 |
f |
[FE]C:6204 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.045 |
20 |
36 |
|
A |
1 |
1 |
9319 |
◊ |
D |
-z-1/2,-x+1,y-1/2 |
7_464 |
1 |
1 |
9101 |
13.9 |
1.0 |
0.957 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
[BEN]A:1170 |
3 |
1 |
278 |
◊ |
D |
-z-1/2,-x+1,y-1/2 |
7_464 |
3 |
2 |
9101 |
6.7 |
0.1 |
0.137 |
0 |
0 |
0 |
0.000 |
|