## |
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 |
189 |
53 |
16992 |
◊ |
A |
x,y,z |
1_555 |
189 |
55 |
16823 |
1835.6 |
-7.3 |
0.425 |
24 |
3 |
0 |
0.176 |
2 |
2 |
|
[PP9]A:901 |
42 |
1 |
829 |
f |
A |
x,y,z |
1_555 |
77 |
31 |
16823 |
602.6 |
-19.9 |
0.175 |
5 |
0 |
0 |
0.437 |
3 |
|
[PP9]B:1105 |
42 |
1 |
843 |
f |
B |
x,y,z |
1_555 |
74 |
30 |
16992 |
594.1 |
-20.5 |
0.136 |
7 |
0 |
0 |
0.437 |
Average: |
598.4 |
-20.2 |
0.155 |
6 |
0 |
0 |
0.437 |
3 |
4 |
|
A |
54 |
17 |
16823 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
57 |
16 |
16823 |
492.0 |
4.7 |
0.871 |
11 |
0 |
0 |
0.000 |
5 |
|
B |
56 |
17 |
16992 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
51 |
19 |
16992 |
445.9 |
1.6 |
0.774 |
8 |
0 |
0 |
0.000 |
Average: |
468.9 |
3.2 |
0.823 |
10 |
0 |
0 |
0.000 |
4 |
6 |
|
[CHD]B:1103 |
24 |
1 |
591 |
f |
B |
x,y,z |
1_555 |
42 |
17 |
16992 |
363.5 |
0.6 |
0.156 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[CHD]A:701 |
27 |
1 |
586 |
f |
A |
x,y,z |
1_555 |
41 |
17 |
16823 |
349.5 |
1.4 |
0.168 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
21 |
8 |
16823 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
22 |
7 |
16992 |
232.4 |
0.6 |
0.688 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
24 |
10 |
16823 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
7 |
16992 |
187.4 |
0.8 |
0.666 |
3 |
3 |
0 |
0.000 |
10 |
|
A |
18 |
7 |
16823 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
19 |
8 |
16992 |
176.9 |
1.2 |
0.744 |
2 |
2 |
0 |
0.000 |
Average: |
182.2 |
1.0 |
0.705 |
3 |
3 |
0 |
0.000 |
8 |
11 |
|
[CHD]A:702 |
16 |
1 |
594 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
16823 |
180.7 |
1.8 |
0.284 |
0 |
0 |
0 |
0.000 |
12 |
|
[CHD]B:1104 |
18 |
1 |
593 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
16992 |
170.6 |
1.2 |
0.216 |
0 |
0 |
0 |
0.000 |
Average: |
175.7 |
1.5 |
0.250 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[CHD]A:702 |
11 |
1 |
594 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
17 |
4 |
16992 |
159.0 |
2.0 |
0.377 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
A |
15 |
5 |
16823 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
16992 |
148.8 |
-3.6 |
0.060 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[FES]B:502 |
4 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
16992 |
144.0 |
-16.9 |
0.355 |
2 |
0 |
0 |
0.332 |
16 |
|
[FES]A:501 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
16823 |
142.7 |
-16.9 |
0.362 |
0 |
0 |
0 |
0.332 |
Average: |
143.3 |
-16.9 |
0.358 |
1 |
0 |
0 |
0.332 |
12 |
17 |
|
A |
20 |
5 |
16823 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
7 |
16992 |
139.7 |
1.0 |
0.681 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
A |
20 |
4 |
16823 |
◊ |
[CHD]B:1104 |
x-1/2,-y+1/2,-z |
4_455 |
12 |
1 |
593 |
132.8 |
1.4 |
0.310 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[CHD]B:1104 |
10 |
1 |
593 |
◊ |
[CHD]B:1103 |
x,y,z |
1_555 |
14 |
1 |
591 |
99.8 |
1.6 |
0.203 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]A:601 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
16992 |
93.9 |
-1.0 |
0.422 |
2 |
0 |
0 |
0.018 |
16 |
21 |
|
[GOL]A:601 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
16823 |
92.1 |
-1.0 |
0.431 |
2 |
0 |
0 |
0.018 |
17 |
22 |
|
[CHD]A:702 |
9 |
1 |
594 |
◊ |
[CHD]A:701 |
x,y,z |
1_555 |
9 |
1 |
586 |
83.1 |
1.0 |
0.226 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[PP9]A:901 |
6 |
1 |
829 |
f |
[CHD]A:701 |
x,y,z |
1_555 |
10 |
1 |
586 |
73.3 |
-0.5 |
0.430 |
0 |
0 |
0 |
0.005 |
19 |
24 |
|
[PP9]B:1105 |
7 |
1 |
843 |
f |
[CHD]B:1103 |
x,y,z |
1_555 |
5 |
1 |
591 |
67.8 |
-0.6 |
0.533 |
0 |
0 |
0 |
0.006 |
20 |
25 |
|
[OXY]B:1001 |
2 |
1 |
116 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16992 |
57.4 |
0.2 |
0.604 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[PB]A:1101 |
1 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
16823 |
57.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.004 |
27 |
|
[PB]B:1102 |
1 |
1 |
147 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
16992 |
51.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
54.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
22 |
28 |
|
[PP9]A:901 |
17 |
1 |
829 |
f |
[PB]A:1101 |
x,y,z |
1_555 |
1 |
1 |
147 |
52.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
29 |
|
[PP9]B:1105 |
17 |
1 |
843 |
f |
[PB]B:1102 |
x,y,z |
1_555 |
1 |
1 |
147 |
52.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
Average: |
52.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
23 |
30 |
|
[OXY]B:1001 |
2 |
1 |
116 |
f |
[PP9]B:1105 |
x,y,z |
1_555 |
16 |
1 |
843 |
30.4 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[FES]B:502 |
2 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16823 |
15.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
32 |
|
[FES]A:501 |
2 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16992 |
12.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
13.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
25 |
33 |
|
[OXY]B:1001 |
2 |
1 |
116 |
f |
[PB]B:1102 |
x,y,z |
1_555 |
1 |
1 |
147 |
10.7 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[CHD]A:702 |
1 |
1 |
594 |
f |
[CHD]B:1104 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
593 |
10.1 |
0.7 |
0.574 |
0 |
0 |
0 |
0.000 |
|