## |
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 |
141 |
37 |
9099 |
◊ |
C |
x,y,z |
1_555 |
138 |
37 |
9219 |
1289.6 |
-4.1 |
0.545 |
23 |
14 |
0 |
0.574 |
2 |
|
B |
146 |
37 |
9156 |
◊ |
A |
x,y,z |
1_555 |
143 |
37 |
9230 |
1267.8 |
-4.8 |
0.546 |
18 |
11 |
0 |
0.574 |
Average: |
1278.7 |
-4.5 |
0.546 |
21 |
13 |
0 |
0.574 |
2 |
3 |
|
A |
129 |
32 |
9230 |
x |
B |
-y+1,x-y,z |
2_655 |
100 |
26 |
9156 |
975.4 |
2.6 |
0.807 |
20 |
15 |
0 |
0.329 |
4 |
|
C |
124 |
33 |
9219 |
x |
A |
x,y,z |
1_555 |
104 |
25 |
9230 |
971.6 |
1.5 |
0.752 |
16 |
14 |
0 |
0.329 |
5 |
|
D |
118 |
32 |
9099 |
x |
D |
-y+1,x-y,z |
2_655 |
101 |
26 |
9099 |
965.3 |
1.8 |
0.706 |
16 |
14 |
0 |
0.329 |
6 |
|
C |
101 |
24 |
9219 |
x |
B |
-y+1,x-y,z |
2_655 |
121 |
32 |
9156 |
949.2 |
3.9 |
0.826 |
16 |
14 |
0 |
0.329 |
Average: |
965.4 |
2.4 |
0.773 |
17 |
14 |
0 |
0.329 |
3 |
7 |
|
D |
57 |
13 |
9099 |
x |
B |
-y+1,x-y,z |
2_655 |
52 |
13 |
9156 |
513.2 |
-0.3 |
0.628 |
10 |
6 |
0 |
0.489 |
8 |
|
D |
55 |
15 |
9099 |
x |
C |
-y+1,x-y,z |
2_655 |
55 |
13 |
9219 |
506.4 |
-1.0 |
0.579 |
9 |
7 |
0 |
0.489 |
9 |
|
C |
53 |
14 |
9219 |
x |
B |
x,y,z |
1_555 |
57 |
14 |
9156 |
495.8 |
-0.6 |
0.591 |
9 |
7 |
0 |
0.489 |
10 |
|
A |
57 |
15 |
9230 |
x |
A |
-y+1,x-y,z |
2_655 |
60 |
15 |
9230 |
490.7 |
-1.8 |
0.546 |
7 |
3 |
0 |
0.489 |
Average: |
501.5 |
-0.9 |
0.586 |
9 |
6 |
0 |
0.489 |
4 |
11 |
|
B |
34 |
11 |
9156 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
34 |
11 |
9156 |
340.9 |
-1.3 |
0.521 |
0 |
0 |
0 |
0.000 |
5 |
12 |
|
A |
16 |
3 |
9230 |
◊ |
B |
y-1/3,x-2/3,-z+1/3 |
10_445 |
16 |
6 |
9156 |
145.1 |
-0.0 |
0.581 |
1 |
2 |
0 |
0.011 |
6 |
13 |
|
D |
12 |
2 |
9099 |
◊ |
C |
y,x,-z |
4_555 |
10 |
2 |
9219 |
85.2 |
-1.7 |
0.274 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
D |
8 |
3 |
9099 |
◊ |
D |
y,x,-z |
4_555 |
8 |
3 |
9099 |
79.0 |
-0.6 |
0.456 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
B |
11 |
4 |
9156 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
10 |
3 |
9230 |
64.6 |
0.0 |
0.613 |
1 |
0 |
0 |
0.006 |
9 |
16 |
|
A |
5 |
2 |
9230 |
◊ |
C |
-y,x-y,z |
2_555 |
6 |
2 |
9219 |
57.3 |
-0.3 |
0.468 |
0 |
0 |
0 |
0.004 |
10 |
17 |
|
C |
5 |
3 |
9219 |
x |
D |
-y+1,x-y,z |
2_655 |
4 |
2 |
9099 |
54.6 |
1.4 |
0.885 |
2 |
2 |
0 |
0.000 |
18 |
|
C |
3 |
1 |
9219 |
x |
A |
-y+1,x-y,z |
2_655 |
5 |
3 |
9230 |
44.3 |
1.1 |
0.867 |
2 |
2 |
0 |
0.000 |
19 |
|
B |
4 |
2 |
9156 |
x |
B |
-y+1,x-y,z |
2_655 |
3 |
1 |
9156 |
43.1 |
1.4 |
0.887 |
2 |
2 |
0 |
0.000 |
20 |
|
D |
5 |
3 |
9099 |
x |
A |
x,y,z |
1_555 |
2 |
1 |
9230 |
42.1 |
1.0 |
0.871 |
2 |
2 |
0 |
0.000 |
Average: |
46.0 |
1.2 |
0.878 |
2 |
2 |
0 |
0.000 |
11 |
21 |
|
[FE]A:201 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9230 |
50.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.220 |
22 |
|
[FE]C:201 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
9219 |
49.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.220 |
Average: |
50.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.220 |
12 |
23 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
9099 |
50.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.313 |
24 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9156 |
49.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.313 |
Average: |
49.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.313 |
13 |
25 |
|
[FE2]D:203 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
11 |
5 |
9099 |
47.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.209 |
26 |
|
[FE2]C:202 |
1 |
1 |
137 |
x |
C |
x,y,z |
1_555 |
8 |
5 |
9219 |
39.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.209 |
27 |
|
[FE2]A:202 |
1 |
1 |
137 |
x |
A |
x,y,z |
1_555 |
5 |
2 |
9230 |
33.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.209 |
28 |
|
[FE2]A:202 |
1 |
1 |
137 |
x |
C |
x,y,z |
1_555 |
5 |
2 |
9219 |
31.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.209 |
29 |
|
[FE2]A:202 |
1 |
1 |
137 |
x |
B |
-y+1,x-y,z |
2_655 |
5 |
2 |
9156 |
31.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.209 |
Average: |
36.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.209 |
14 |
30 |
|
[CL]A:204 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
4 |
3 |
9230 |
46.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.511 |
31 |
|
[CL]D:204 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
4 |
3 |
9099 |
39.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.511 |
32 |
|
[CL]D:204 |
1 |
1 |
125 |
x |
C |
-y+1,x-y,z |
2_655 |
4 |
3 |
9219 |
38.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.511 |
33 |
|
[CL]D:204 |
1 |
1 |
125 |
x |
B |
-y+1,x-y,z |
2_655 |
4 |
3 |
9156 |
38.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.511 |
Average: |
40.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.511 |
15 |
34 |
|
[MG]A:203 |
1 |
1 |
98 |
fx |
[MG]A:203 |
-y+1,x-y,z |
2_655 |
1 |
1 |
98 |
44.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.301 |
16 |
35 |
|
[FE2]D:203 |
1 |
1 |
137 |
f |
[FE2]D:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
44.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.100 |
17 |
36 |
|
[MG]A:203 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
6 |
3 |
9230 |
36.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.518 |
37 |
|
[MG]B:202 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
6 |
3 |
9156 |
26.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.518 |
38 |
|
D |
7 |
3 |
9099 |
x |
[MG]B:202 |
-y+1,x-y,z |
2_655 |
1 |
1 |
98 |
26.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.518 |
39 |
|
[MG]B:202 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
7 |
3 |
9219 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.518 |
Average: |
28.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.518 |
18 |
40 |
|
[FE2]D:201 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
6 |
4 |
9099 |
36.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.128 |
41 |
|
[FE2]C:202 |
1 |
1 |
137 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
9230 |
36.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.128 |
42 |
|
[FE2]C:202 |
1 |
1 |
137 |
x |
B |
-y+1,x-y,z |
2_655 |
6 |
4 |
9156 |
33.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
35.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.128 |
19 |
43 |
|
A |
2 |
1 |
9230 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
2 |
1 |
9230 |
33.3 |
-1.1 |
0.110 |
0 |
0 |
0 |
0.000 |
20 |
44 |
|
C |
3 |
2 |
9219 |
x |
C |
-y,x-y,z |
2_555 |
7 |
3 |
9219 |
32.0 |
0.9 |
0.799 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
C |
8 |
2 |
9219 |
x |
[FE2]B:201 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
29.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.157 |
46 |
|
[FE2]D:202 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
5 |
2 |
9099 |
28.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.157 |
47 |
|
[FE2]B:201 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
9156 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.157 |
48 |
|
A |
7 |
2 |
9230 |
x |
[FE2]B:201 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
25.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.157 |
Average: |
27.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.157 |
22 |
49 |
|
[FE2]C:202 |
1 |
1 |
137 |
f |
[FE2]A:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
23 |
50 |
|
[FE]C:201 |
1 |
1 |
137 |
◊ |
B |
-y+1,x-y,z |
2_655 |
4 |
2 |
9156 |
9.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.040 |
51 |
|
[FE]A:201 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
9219 |
8.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
8.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.040 |
24 |
52 |
|
[FE2]A:202 |
1 |
1 |
137 |
f |
[FE2]B:201 |
-y+1,x-y,z |
2_655 |
1 |
1 |
137 |
7.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
53 |
|
D |
1 |
1 |
9099 |
x |
D |
-x+1,-x+y,-z |
6_655 |
1 |
1 |
9099 |
4.6 |
-0.1 |
0.357 |
0 |
0 |
0 |
0.000 |
|