## |
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 |
|
A |
102 |
24 |
8318 |
◊ |
A |
y,x,-z |
7_555 |
102 |
24 |
8318 |
832.1 |
-11.2 |
0.205 |
10 |
8 |
0 |
0.402 |
2 |
|
C |
98 |
23 |
8282 |
◊ |
B |
-y+1,x,z |
3_655 |
101 |
23 |
8425 |
822.7 |
-11.1 |
0.195 |
10 |
8 |
0 |
0.402 |
Average: |
827.4 |
-11.1 |
0.200 |
10 |
8 |
0 |
0.402 |
2 |
3 |
|
B |
51 |
12 |
8425 |
◊ |
A |
x,y,z |
1_555 |
66 |
16 |
8318 |
514.6 |
-3.7 |
0.459 |
9 |
8 |
0 |
0.277 |
4 |
|
C |
50 |
12 |
8282 |
◊ |
B |
x,y,z |
1_555 |
63 |
15 |
8425 |
511.9 |
-4.3 |
0.411 |
9 |
8 |
0 |
0.277 |
5 |
|
C |
66 |
16 |
8282 |
◊ |
A |
x,y,z |
1_555 |
49 |
12 |
8318 |
503.8 |
-5.9 |
0.315 |
7 |
8 |
0 |
0.277 |
Average: |
510.1 |
-4.6 |
0.395 |
8 |
8 |
0 |
0.277 |
3 |
6 |
|
B |
42 |
13 |
8425 |
x |
B |
-y+1,x,z |
3_655 |
46 |
11 |
8425 |
387.5 |
-3.5 |
0.497 |
6 |
0 |
0 |
0.241 |
7 |
|
C |
45 |
11 |
8282 |
x |
A |
-y+1,x,z |
3_655 |
42 |
14 |
8318 |
378.1 |
-3.7 |
0.481 |
6 |
0 |
0 |
0.241 |
8 |
|
C |
40 |
13 |
8282 |
x |
A |
y,x,-z |
7_555 |
47 |
11 |
8318 |
371.0 |
-3.6 |
0.518 |
6 |
0 |
0 |
0.241 |
Average: |
378.8 |
-3.6 |
0.499 |
6 |
0 |
0 |
0.241 |
4 |
9 |
|
[HEM]A:201 |
43 |
1 |
828 |
f |
[HEM]A:201 |
y,x,-z |
7_555 |
43 |
1 |
828 |
282.2 |
-13.1 |
0.999 |
0 |
0 |
0 |
0.157 |
10 |
|
[HEM]C:202 |
42 |
1 |
811 |
f |
[HEM]B:202 |
-y+1,x,z |
3_655 |
43 |
1 |
808 |
278.7 |
-13.1 |
0.999 |
0 |
0 |
0 |
0.157 |
Average: |
280.4 |
-13.1 |
0.999 |
0 |
0 |
0 |
0.157 |
5 |
11 |
|
[HEM]C:202 |
38 |
1 |
811 |
◊ |
C |
x,y,z |
1_555 |
38 |
13 |
8282 |
248.8 |
-7.6 |
0.342 |
0 |
0 |
0 |
0.178 |
12 |
|
[HEM]A:201 |
37 |
1 |
828 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
8318 |
246.8 |
-7.5 |
0.311 |
0 |
0 |
0 |
0.178 |
13 |
|
[HEM]B:202 |
39 |
1 |
808 |
◊ |
B |
x,y,z |
1_555 |
42 |
13 |
8425 |
242.8 |
-7.2 |
0.414 |
0 |
0 |
0 |
0.178 |
Average: |
246.1 |
-7.4 |
0.355 |
0 |
0 |
0 |
0.178 |
6 |
14 |
|
[HEM]A:201 |
38 |
1 |
828 |
◊ |
A |
y,x,-z |
7_555 |
38 |
13 |
8318 |
241.9 |
-7.8 |
0.347 |
0 |
0 |
0 |
0.180 |
15 |
|
C |
39 |
13 |
8282 |
◊ |
[HEM]B:202 |
-y+1,x,z |
3_655 |
39 |
1 |
808 |
237.0 |
-7.0 |
0.371 |
0 |
0 |
0 |
0.180 |
16 |
|
[HEM]C:202 |
38 |
1 |
811 |
◊ |
B |
-y+1,x,z |
3_655 |
39 |
13 |
8425 |
236.1 |
-7.0 |
0.362 |
0 |
0 |
0 |
0.180 |
Average: |
238.4 |
-7.3 |
0.360 |
0 |
0 |
0 |
0.180 |
7 |
17 |
|
A |
24 |
8 |
8318 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
26 |
8 |
8318 |
216.8 |
1.2 |
0.812 |
4 |
0 |
0 |
0.000 |
8 |
18 |
|
[PEG]A:204 |
7 |
1 |
262 |
◊ |
[PEG]A:204 |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
7 |
1 |
262 |
105.3 |
5.1 |
0.212 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
[PEG]C:201 |
6 |
1 |
268 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
8318 |
105.0 |
2.3 |
0.340 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
[PEG]B:203 |
6 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
8282 |
102.5 |
2.2 |
0.354 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[PEG]A:203 |
6 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8425 |
101.9 |
1.3 |
0.265 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[PEG]C:201 |
7 |
1 |
268 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
8282 |
98.4 |
0.5 |
0.169 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
[PEG]A:203 |
7 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
8318 |
93.0 |
1.8 |
0.256 |
1 |
0 |
0 |
0.000 |
14 |
24 |
|
[PEG]B:203 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
8425 |
89.1 |
0.3 |
0.149 |
1 |
0 |
0 |
0.005 |
15 |
25 |
|
[FE2]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
8318 |
75.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.634 |
26 |
|
[FE2]C:203 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
8282 |
75.1 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.634 |
27 |
|
[FE2]B:201 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8425 |
74.9 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.634 |
Average: |
75.1 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.634 |
16 |
28 |
|
B |
6 |
2 |
8425 |
◊ |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
6 |
2 |
8425 |
68.5 |
2.3 |
0.937 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
[BA]C:204 |
1 |
1 |
216 |
f |
[BA]A:205 |
-y+1,x,z |
3_655 |
1 |
1 |
216 |
67.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.055 |
18 |
30 |
|
[PEG]A:204 |
6 |
1 |
262 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
11 |
4 |
8318 |
67.5 |
1.1 |
0.282 |
1 |
0 |
0 |
0.000 |
19 |
31 |
|
[BA]B:204 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
8 |
2 |
8425 |
65.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.160 |
32 |
|
[BA]C:204 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
8 |
2 |
8282 |
46.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.160 |
33 |
|
C |
9 |
2 |
8282 |
x |
[BA]A:205 |
-y+1,x,z |
3_655 |
1 |
1 |
216 |
46.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.160 |
34 |
|
[BA]C:204 |
1 |
1 |
216 |
x |
A |
-y+1,x,z |
3_655 |
7 |
2 |
8318 |
46.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.160 |
35 |
|
[BA]A:205 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
9 |
3 |
8318 |
45.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
50.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.160 |
20 |
36 |
|
[PEG]A:204 |
6 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
8318 |
62.3 |
2.1 |
0.373 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
B |
4 |
2 |
8425 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
5 |
3 |
8318 |
57.9 |
0.4 |
0.732 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
C |
4 |
2 |
8282 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
4 |
2 |
8318 |
36.6 |
0.4 |
0.715 |
1 |
0 |
0 |
0.000 |
23 |
39 |
|
[CL]C:205 |
1 |
1 |
125 |
f |
[BA]A:205 |
-y+1,x,z |
3_655 |
1 |
1 |
216 |
26.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
[BA]A:205 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.034 |
25 |
41 |
|
[CL]B:205 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
6 |
2 |
8425 |
25.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.119 |
42 |
|
C |
6 |
2 |
8282 |
x |
[CL]A:206 |
-y+1,x,z |
3_655 |
1 |
1 |
125 |
24.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.119 |
43 |
|
[CL]C:205 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
6 |
2 |
8282 |
24.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.119 |
44 |
|
[CL]A:206 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
6 |
2 |
8318 |
24.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.119 |
45 |
|
[CL]C:205 |
1 |
1 |
125 |
x |
A |
-y+1,x,z |
3_655 |
6 |
2 |
8318 |
23.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
24.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.119 |
26 |
46 |
|
[CL]B:205 |
1 |
1 |
125 |
f |
[BA]B:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
24.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.100 |
27 |
47 |
|
[BA]C:204 |
1 |
1 |
216 |
f |
[CL]A:206 |
-y+1,x,z |
3_655 |
1 |
1 |
125 |
20.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.027 |
28 |
48 |
|
[CL]C:205 |
1 |
1 |
125 |
f |
[BA]C:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
20.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
49 |
|
B |
5 |
2 |
8425 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
5 |
2 |
8425 |
19.8 |
0.5 |
0.814 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
5 |
2 |
8282 |
◊ |
C |
-x+1,y,-z |
5_655 |
5 |
2 |
8282 |
15.2 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
5 |
2 |
8318 |
◊ |
A |
x,-y+1,-z |
6_565 |
5 |
2 |
8318 |
15.1 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
Average: |
16.7 |
0.4 |
0.814 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
B |
3 |
1 |
8425 |
◊ |
B |
y,x,-z+1 |
7_556 |
3 |
1 |
8425 |
10.9 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
31 |
53 |
|
[PEG]A:204 |
1 |
1 |
262 |
f |
C |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
2 |
1 |
8282 |
4.7 |
-0.1 |
0.302 |
0 |
0 |
0 |
0.003 |
|