| ## |
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 |
140 |
39 |
11174 |
◊ |
A |
x,y,z |
1_555 |
148 |
40 |
11167 |
1350.5 |
-13.9 |
0.137 |
13 |
8 |
0 |
0.245 |
2 |
|
D |
150 |
41 |
11032 |
◊ |
D |
-x+2,y,-z+1/2 |
3_755 |
148 |
40 |
11032 |
1341.6 |
-14.0 |
0.148 |
16 |
8 |
0 |
0.245 |
3 |
|
C |
146 |
42 |
11386 |
◊ |
C |
-x+2,y,-z+1/2 |
3_755 |
146 |
41 |
11386 |
1328.7 |
-13.0 |
0.166 |
12 |
6 |
0 |
0.245 |
| Average: |
1340.3 |
-13.6 |
0.150 |
14 |
7 |
0 |
0.245 |
| 2 |
4 |
|
D |
82 |
21 |
11032 |
◊ |
C |
x,y,z |
1_555 |
83 |
23 |
11386 |
759.1 |
-11.0 |
0.078 |
3 |
0 |
0 |
0.164 |
5 |
|
A |
80 |
22 |
11167 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
80 |
22 |
11167 |
756.5 |
-11.6 |
0.059 |
4 |
0 |
0 |
0.164 |
6 |
|
B |
82 |
23 |
11174 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
82 |
23 |
11174 |
755.4 |
-10.4 |
0.100 |
4 |
0 |
0 |
0.164 |
| Average: |
757.0 |
-11.0 |
0.079 |
4 |
0 |
0 |
0.164 |
| 3 |
7 |
|
A |
63 |
16 |
11167 |
◊ |
C |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
62 |
16 |
11386 |
574.6 |
-4.0 |
0.384 |
8 |
3 |
0 |
0.000 |
| 4 |
8 |
|
D |
39 |
12 |
11032 |
◊ |
B |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
34 |
10 |
11174 |
343.5 |
-1.9 |
0.462 |
6 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[IRP]A:300 |
23 |
1 |
480 |
f |
A |
x,y,z |
1_555 |
51 |
20 |
11167 |
282.8 |
-2.8 |
0.533 |
13 |
0 |
0 |
0.210 |
10 |
|
[IRP]B:300 |
23 |
1 |
479 |
f |
B |
x,y,z |
1_555 |
54 |
21 |
11174 |
281.9 |
-3.0 |
0.528 |
13 |
0 |
0 |
0.210 |
11 |
|
[IRP]D:300 |
23 |
1 |
477 |
f |
D |
x,y,z |
1_555 |
56 |
21 |
11032 |
280.6 |
-2.8 |
0.535 |
13 |
0 |
0 |
0.210 |
12 |
|
[IRP]C:300 |
23 |
1 |
477 |
f |
C |
x,y,z |
1_555 |
54 |
21 |
11386 |
277.3 |
-2.7 |
0.531 |
13 |
0 |
0 |
0.210 |
| Average: |
280.7 |
-2.8 |
0.532 |
13 |
0 |
0 |
0.210 |
| 6 |
13 |
|
B |
29 |
8 |
11174 |
◊ |
C |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
26 |
9 |
11386 |
273.8 |
-2.8 |
0.292 |
1 |
0 |
0 |
0.000 |
| 7 |
14 |
|
D |
26 |
5 |
11032 |
◊ |
C |
-x+2,y,-z+1/2 |
3_755 |
22 |
7 |
11386 |
217.0 |
-0.6 |
0.569 |
4 |
0 |
0 |
0.023 |
15 |
|
B |
21 |
5 |
11174 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
22 |
5 |
11167 |
207.0 |
-0.5 |
0.569 |
3 |
0 |
0 |
0.023 |
| Average: |
212.0 |
-0.6 |
0.569 |
4 |
0 |
0 |
0.023 |
| 8 |
16 |
|
B |
21 |
6 |
11174 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
4 |
11386 |
168.8 |
-0.7 |
0.422 |
2 |
0 |
0 |
0.000 |
| 9 |
17 |
|
[POP]B:400 |
9 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
32 |
15 |
11174 |
132.7 |
-0.7 |
0.588 |
6 |
0 |
0 |
0.038 |
| 10 |
18 |
|
[POP]D:400 |
9 |
1 |
263 |
f |
D |
x,y,z |
1_555 |
30 |
15 |
11032 |
132.2 |
-0.1 |
0.603 |
7 |
0 |
0 |
0.077 |
19 |
|
[POP]C:400 |
9 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
32 |
15 |
11386 |
131.5 |
-0.2 |
0.612 |
6 |
0 |
0 |
0.077 |
20 |
|
[POP]A:400 |
9 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
11167 |
130.6 |
-0.0 |
0.620 |
7 |
0 |
0 |
0.077 |
| Average: |
131.4 |
-0.1 |
0.612 |
7 |
0 |
0 |
0.077 |
| 11 |
21 |
|
D |
13 |
6 |
11032 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
16 |
9 |
11174 |
129.2 |
1.3 |
0.802 |
1 |
0 |
0 |
0.000 |
| 12 |
22 |
|
B |
12 |
5 |
11174 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
8_456 |
7 |
2 |
11167 |
80.1 |
0.1 |
0.600 |
1 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[POP]B:400 |
5 |
1 |
263 |
f |
[IRP]B:300 |
x,y,z |
1_555 |
7 |
1 |
479 |
48.3 |
-0.9 |
0.493 |
0 |
0 |
0 |
0.010 |
| 14 |
24 |
|
[POP]A:400 |
6 |
1 |
265 |
f |
[IRP]A:300 |
x,y,z |
1_555 |
6 |
1 |
480 |
48.0 |
-1.8 |
0.346 |
0 |
0 |
0 |
0.045 |
25 |
|
[POP]C:400 |
5 |
1 |
263 |
f |
[IRP]C:300 |
x,y,z |
1_555 |
7 |
1 |
477 |
47.6 |
-1.9 |
0.330 |
0 |
0 |
0 |
0.045 |
26 |
|
[POP]D:400 |
5 |
1 |
263 |
f |
[IRP]D:300 |
x,y,z |
1_555 |
6 |
1 |
477 |
47.4 |
-1.9 |
0.330 |
0 |
0 |
0 |
0.045 |
| Average: |
47.7 |
-1.9 |
0.335 |
0 |
0 |
0 |
0.045 |
| 15 |
27 |
|
[MG]A:406 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11167 |
37.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.093 |
28 |
|
[MG]C:406 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
11386 |
36.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.093 |
29 |
|
[MG]D:406 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11032 |
35.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.093 |
30 |
|
[MG]B:406 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11174 |
35.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
36.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.093 |
| 16 |
31 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
11167 |
33.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.085 |
32 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
11386 |
33.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.085 |
33 |
|
[MG]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
11174 |
33.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
34 |
|
[MG]D:405 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
11032 |
32.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
33.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.085 |
| 17 |
35 |
|
D |
4 |
2 |
11032 |
◊ |
C |
-x+5/2,y-1/2,-z+1/2 |
7_745 |
3 |
2 |
11386 |
32.9 |
1.3 |
0.898 |
0 |
1 |
0 |
0.000 |
| 18 |
36 |
|
[POP]C:400 |
4 |
1 |
263 |
f |
[MG]C:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.089 |
37 |
|
[POP]A:400 |
5 |
1 |
265 |
f |
[MG]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.089 |
38 |
|
[POP]D:400 |
3 |
1 |
263 |
f |
[MG]D:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
29.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.089 |
| 19 |
39 |
|
[POP]B:400 |
3 |
1 |
263 |
f |
[MG]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 20 |
40 |
|
[POP]D:400 |
5 |
1 |
263 |
f |
[MG]D:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.084 |
41 |
|
[POP]B:400 |
6 |
1 |
263 |
f |
[MG]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.084 |
42 |
|
[POP]A:400 |
6 |
1 |
265 |
f |
[MG]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.084 |
43 |
|
[POP]C:400 |
3 |
1 |
263 |
f |
[MG]C:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
26.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.084 |
| 21 |
44 |
|
[IRP]D:300 |
3 |
1 |
477 |
f |
[MG]D:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.090 |
45 |
|
[IRP]C:300 |
5 |
1 |
477 |
f |
[MG]C:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
46 |
|
[IRP]A:300 |
5 |
1 |
480 |
f |
[MG]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.090 |
47 |
|
[IRP]B:300 |
5 |
1 |
479 |
f |
[MG]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
26.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.090 |
| 22 |
48 |
|
[IRP]B:300 |
4 |
1 |
479 |
f |
[MG]B:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.046 |
49 |
|
[IRP]D:300 |
4 |
1 |
477 |
f |
[MG]D:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.046 |
50 |
|
[IRP]A:300 |
4 |
1 |
480 |
f |
[MG]A:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.046 |
51 |
|
[IRP]C:300 |
4 |
1 |
477 |
f |
[MG]C:406 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
19.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| 23 |
52 |
|
A |
1 |
1 |
11167 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
11386 |
12.5 |
0.5 |
0.826 |
0 |
0 |
0 |
0.000 |
| 24 |
53 |
|
D |
1 |
1 |
11032 |
◊ |
A |
-x+3/2,y-1/2,-z+1/2 |
7_645 |
1 |
1 |
11167 |
4.9 |
-0.0 |
0.519 |
0 |
0 |
0 |
0.000 |
| 25 |
54 |
|
C |
1 |
1 |
11386 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
11174 |
4.0 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
| 26 |
55 |
|
[MG]B:406 |
1 |
1 |
98 |
f |
[MG]B:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 27 |
56 |
|
[MG]D:406 |
1 |
1 |
98 |
f |
[MG]D:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 28 |
57 |
|
[MG]C:406 |
1 |
1 |
98 |
f |
[MG]C:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 29 |
58 |
|
[MG]A:406 |
1 |
1 |
98 |
f |
[MG]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.015 |
|