## |
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 |
|
[LPE]C:2488 |
33 |
1 |
896 |
f |
C |
x,y,z |
1_555 |
83 |
26 |
9848 |
579.9 |
-8.7 |
0.436 |
1 |
0 |
0 |
0.072 |
2 |
2 |
|
[LPE]A:2483 |
33 |
1 |
902 |
f |
A |
x,y,z |
1_555 |
85 |
31 |
9614 |
579.3 |
-6.8 |
0.512 |
1 |
0 |
0 |
0.146 |
3 |
3 |
|
[LPE]B:2485 |
33 |
1 |
871 |
f |
B |
x,y,z |
1_555 |
84 |
27 |
9762 |
546.0 |
-5.7 |
0.552 |
2 |
0 |
0 |
0.133 |
4 |
4 |
|
B |
53 |
13 |
9762 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
9614 |
530.2 |
-6.0 |
0.472 |
9 |
1 |
0 |
0.000 |
5 |
|
C |
55 |
16 |
9848 |
◊ |
A |
x,y,z |
1_555 |
56 |
13 |
9614 |
529.8 |
-6.0 |
0.492 |
7 |
0 |
0 |
0.000 |
Average: |
530.0 |
-6.0 |
0.482 |
8 |
1 |
0 |
0.000 |
5 |
6 |
|
A |
47 |
16 |
9614 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
14 |
9762 |
509.5 |
-14.3 |
0.007 |
0 |
0 |
0 |
0.290 |
6 |
7 |
|
B |
44 |
19 |
9762 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
43 |
12 |
9614 |
440.7 |
-0.2 |
0.847 |
8 |
2 |
0 |
0.000 |
7 |
8 |
|
B |
29 |
11 |
9762 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
37 |
12 |
9848 |
304.2 |
-3.0 |
0.573 |
2 |
2 |
0 |
0.000 |
8 |
9 |
|
A |
28 |
8 |
9614 |
◊ |
C |
x-1,y,z |
1_455 |
31 |
9 |
9848 |
263.0 |
-2.3 |
0.601 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[DAO]B:1364 |
14 |
1 |
449 |
f |
B |
x,y,z |
1_555 |
39 |
16 |
9762 |
257.6 |
2.7 |
0.243 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
26 |
11 |
9762 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
9 |
9848 |
234.7 |
-0.2 |
0.817 |
3 |
1 |
0 |
0.000 |
11 |
12 |
|
C |
23 |
6 |
9848 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
20 |
6 |
9762 |
178.1 |
-1.2 |
0.524 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[EPE]C:901 |
13 |
1 |
405 |
f |
C |
x,y,z |
1_555 |
25 |
9 |
9848 |
175.1 |
4.3 |
0.109 |
3 |
0 |
0 |
0.000 |
13 |
14 |
|
[EPE]A:900 |
12 |
1 |
407 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
9614 |
163.4 |
4.2 |
0.121 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
B |
21 |
6 |
9762 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
6 |
9848 |
156.8 |
-2.0 |
0.550 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[IPA]C:1514 |
4 |
1 |
196 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
9848 |
120.8 |
2.9 |
0.470 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[IPA]A:1503 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
9614 |
115.9 |
3.2 |
0.469 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[IPA]C:1511 |
4 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
9848 |
115.5 |
2.4 |
0.364 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[IPA]C:1513 |
4 |
1 |
196 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9848 |
107.2 |
3.0 |
0.429 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
A |
13 |
4 |
9614 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
5 |
9614 |
103.2 |
-0.3 |
0.579 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[ACT]A:3321 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9614 |
101.8 |
-1.4 |
0.509 |
0 |
0 |
0 |
0.028 |
21 |
22 |
|
A |
8 |
3 |
9614 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
4 |
9848 |
96.9 |
-2.0 |
0.294 |
1 |
0 |
0 |
0.000 |
22 |
23 |
|
[ACT]C:3324 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
9848 |
90.8 |
-1.7 |
0.432 |
0 |
0 |
0 |
0.014 |
23 |
24 |
|
[ACT]B:3322 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
9762 |
89.6 |
-0.9 |
0.604 |
0 |
0 |
0 |
0.018 |
24 |
25 |
|
[IPA]B:1515 |
4 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
9762 |
89.5 |
2.3 |
0.279 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[ACT]A:3320 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
9614 |
85.8 |
-1.2 |
0.500 |
0 |
0 |
0 |
0.024 |
26 |
27 |
|
[ACT]B:3323 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
9762 |
83.7 |
-1.3 |
0.516 |
0 |
0 |
0 |
0.026 |
27 |
28 |
|
[LPE]A:2483 |
12 |
1 |
902 |
f |
[ACT]A:3320 |
x,y,z |
1_555 |
4 |
1 |
183 |
74.1 |
0.0 |
0.686 |
1 |
0 |
0 |
0.009 |
28 |
29 |
|
[CL]C:803 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
9848 |
70.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.498 |
30 |
|
[CL]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9762 |
66.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.498 |
31 |
|
[CL]A:801 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9614 |
65.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.498 |
Average: |
67.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.498 |
29 |
32 |
|
[LPE]C:2488 |
10 |
1 |
896 |
f |
[ACT]C:3324 |
x,y,z |
1_555 |
4 |
1 |
183 |
68.7 |
0.1 |
0.683 |
1 |
0 |
0 |
0.003 |
30 |
33 |
|
[LPE]B:2485 |
13 |
1 |
871 |
f |
[ACT]B:3322 |
x,y,z |
1_555 |
4 |
1 |
183 |
67.8 |
-1.0 |
0.563 |
0 |
0 |
0 |
0.021 |
31 |
34 |
|
[DAO]B:1364 |
6 |
1 |
449 |
f |
[LPE]B:2485 |
x,y,z |
1_555 |
5 |
1 |
871 |
58.9 |
1.3 |
0.219 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[LPE]B:2485 |
7 |
1 |
871 |
f |
[ACT]B:3323 |
x,y,z |
1_555 |
4 |
1 |
184 |
57.0 |
-0.4 |
0.609 |
0 |
0 |
0 |
0.009 |
33 |
36 |
|
[IPA]C:1513 |
2 |
1 |
196 |
f |
[LPE]C:2488 |
x,y,z |
1_555 |
4 |
1 |
896 |
43.2 |
1.2 |
0.514 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[LPE]A:2483 |
6 |
1 |
902 |
f |
[ACT]A:3321 |
x,y,z |
1_555 |
3 |
1 |
183 |
40.7 |
-0.3 |
0.608 |
0 |
0 |
0 |
0.006 |
35 |
38 |
|
B |
2 |
1 |
9762 |
◊ |
[IPA]C:1511 |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
197 |
35.5 |
0.9 |
0.330 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[EPE]A:900 |
2 |
1 |
407 |
f |
C |
x-1,y,z |
1_455 |
4 |
2 |
9848 |
27.6 |
0.6 |
0.368 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[DAO]B:1364 |
2 |
1 |
449 |
f |
[ACT]B:3323 |
x,y,z |
1_555 |
1 |
1 |
184 |
17.5 |
-0.6 |
0.226 |
0 |
0 |
0 |
0.011 |
38 |
41 |
|
[ACT]B:3323 |
3 |
1 |
184 |
f |
[ACT]B:3322 |
x,y,z |
1_555 |
3 |
1 |
183 |
17.4 |
0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[CL]B:802 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9614 |
2.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[CL]A:801 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9848 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
A |
1 |
1 |
9614 |
f |
[IPA]C:1511 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
197 |
1.9 |
-0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
|