## |
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 |
111 |
31 |
12642 |
◊ |
A |
x,y,z |
1_555 |
125 |
34 |
12668 |
1139.6 |
-3.9 |
0.483 |
17 |
8 |
0 |
0.000 |
2 |
|
B |
122 |
32 |
13066 |
◊ |
A |
x,y,z |
1_555 |
108 |
30 |
12668 |
1132.1 |
-5.7 |
0.335 |
16 |
4 |
0 |
0.000 |
3 |
|
C |
127 |
33 |
12642 |
◊ |
B |
x,y,z |
1_555 |
105 |
28 |
13066 |
1126.6 |
-4.5 |
0.381 |
18 |
5 |
0 |
0.000 |
Average: |
1132.8 |
-4.7 |
0.400 |
17 |
6 |
0 |
0.000 |
2 |
4 |
|
B |
46 |
13 |
13066 |
x |
B |
x-y,-y+1,-z+1 |
8_566 |
46 |
13 |
13066 |
397.3 |
-2.7 |
0.316 |
4 |
3 |
0 |
0.000 |
3 |
5 |
|
C |
40 |
11 |
12642 |
◊ |
C |
-y+1,-x+1,-z+5/6 |
10_665 |
39 |
11 |
12642 |
351.5 |
1.4 |
0.757 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
31 |
8 |
12642 |
◊ |
A |
-y+1,-x+1,-z+5/6 |
10_665 |
30 |
10 |
12668 |
257.4 |
1.4 |
0.784 |
2 |
2 |
0 |
0.000 |
5 |
7 |
|
A |
24 |
8 |
12668 |
◊ |
A |
-y+1,-x+1,-z+5/6 |
10_665 |
23 |
8 |
12668 |
205.5 |
-0.2 |
0.605 |
4 |
0 |
0 |
0.000 |
6 |
8 |
|
[EDO]C:402 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
12642 |
114.1 |
3.7 |
0.449 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
[EDO]A:405 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
12668 |
113.5 |
3.6 |
0.516 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
[EDO]A:404 |
4 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
12668 |
112.4 |
3.7 |
0.448 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
13066 |
105.6 |
3.3 |
0.461 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]C:403 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
12642 |
93.9 |
3.1 |
0.508 |
3 |
0 |
0 |
0.000 |
Average: |
99.8 |
3.2 |
0.484 |
3 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]C:405 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
12642 |
103.3 |
2.5 |
0.408 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
12668 |
101.8 |
2.6 |
0.415 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:407 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
12668 |
95.3 |
3.0 |
0.486 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]A:406 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
12668 |
88.9 |
2.2 |
0.258 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]C:406 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12642 |
83.8 |
1.9 |
0.236 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
13066 |
80.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.033 |
16 |
19 |
|
[EDO]A:403 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12668 |
76.2 |
2.4 |
0.280 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
9 |
2 |
12642 |
◊ |
C |
-y+2,-x+2,-z+5/6 |
10_775 |
8 |
2 |
12642 |
67.4 |
-0.9 |
0.360 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12668 |
67.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.051 |
22 |
|
[FE]C:400 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
12642 |
66.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.051 |
23 |
|
[FE]B:400 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13066 |
63.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.051 |
Average: |
65.9 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.051 |
19 |
24 |
|
[FE]A:400 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12668 |
61.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.050 |
25 |
|
[FE]C:401 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
12642 |
61.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.050 |
26 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13066 |
60.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
61.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.050 |
20 |
27 |
|
[EDO]C:404 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12668 |
58.3 |
0.7 |
0.737 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[EDO]A:403 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
13066 |
53.4 |
1.0 |
0.656 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[EDO]C:404 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
12642 |
51.4 |
1.7 |
0.279 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[EDO]A:402 |
4 |
1 |
184 |
f |
C |
-y+1,-x+1,-z+5/6 |
10_665 |
7 |
4 |
12642 |
49.8 |
1.9 |
0.944 |
2 |
0 |
0 |
0.000 |
24 |
31 |
|
[EDO]A:406 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
1 |
12642 |
48.9 |
1.0 |
0.653 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[EDO]B:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12668 |
40.9 |
0.4 |
0.694 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]C:403 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13066 |
39.8 |
0.4 |
0.709 |
1 |
0 |
0 |
0.000 |
Average: |
40.4 |
0.4 |
0.702 |
1 |
0 |
0 |
0.000 |
26 |
34 |
|
[FE]B:401 |
1 |
1 |
137 |
f |
[FE]B:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
30.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.017 |
27 |
35 |
|
[FE]C:401 |
1 |
1 |
137 |
f |
[FE]C:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.025 |
28 |
36 |
|
[FE]A:401 |
1 |
1 |
137 |
f |
[FE]A:400 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
37 |
|
[EDO]A:406 |
3 |
1 |
185 |
f |
[EDO]A:405 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.0 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]C:405 |
2 |
1 |
183 |
f |
[EDO]C:403 |
x,y,z |
1_555 |
2 |
1 |
182 |
28.1 |
1.9 |
0.500 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
B |
7 |
2 |
13066 |
◊ |
A |
x-y,-y+1,-z+1 |
8_566 |
5 |
1 |
12668 |
27.6 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
B |
6 |
4 |
13066 |
◊ |
B |
x-y+1,-y+2,-z+1 |
8_676 |
6 |
4 |
13066 |
19.2 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[EDO]A:405 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
12642 |
16.6 |
0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[EDO]A:407 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
13066 |
11.8 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
A |
2 |
1 |
12668 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
12642 |
10.1 |
0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[EDO]C:405 |
1 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
13066 |
0.8 |
0.0 |
0.830 |
0 |
0 |
0 |
0.000 |
|