| ## |
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 |
94 |
31 |
7906 |
◊ |
A |
x,y,z |
1_555 |
96 |
30 |
7971 |
852.0 |
-6.8 |
0.172 |
4 |
4 |
0 |
0.144 |
| 2 |
2 |
|
D |
60 |
18 |
7945 |
◊ |
C |
x,y,z |
1_555 |
51 |
15 |
7906 |
480.9 |
4.5 |
0.798 |
6 |
7 |
0 |
0.000 |
| 3 |
3 |
|
B |
56 |
19 |
7855 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
7971 |
457.5 |
3.5 |
0.796 |
5 |
6 |
0 |
0.000 |
| 4 |
4 |
|
A |
47 |
13 |
7971 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
40 |
14 |
7855 |
423.2 |
-5.0 |
0.172 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
D |
46 |
17 |
7945 |
◊ |
B |
x,y,z |
1_555 |
49 |
17 |
7855 |
394.4 |
-4.1 |
0.266 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
D |
30 |
11 |
7945 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
11 |
7906 |
360.5 |
2.2 |
0.737 |
12 |
5 |
0 |
0.000 |
| 7 |
7 |
|
[ADP]B:181 |
25 |
1 |
550 |
f |
B |
x,y,z |
1_555 |
44 |
15 |
7855 |
315.1 |
-2.3 |
0.666 |
15 |
0 |
0 |
0.027 |
| 8 |
8 |
|
[ADP]D:183 |
25 |
1 |
553 |
f |
D |
x,y,z |
1_555 |
37 |
15 |
7945 |
312.4 |
-3.3 |
0.643 |
17 |
0 |
0 |
0.286 |
9 |
|
[ADP]C:182 |
26 |
1 |
557 |
f |
C |
x,y,z |
1_555 |
43 |
16 |
7906 |
308.0 |
-2.9 |
0.541 |
12 |
0 |
0 |
0.286 |
10 |
|
[ADP]A:180 |
25 |
1 |
542 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
7971 |
297.9 |
-3.3 |
0.525 |
15 |
0 |
0 |
0.286 |
| Average: |
306.1 |
-3.2 |
0.570 |
15 |
0 |
0 |
0.286 |
| 9 |
11 |
|
C |
30 |
10 |
7906 |
x |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
11 |
7906 |
288.6 |
-0.5 |
0.490 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
D |
35 |
10 |
7945 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
33 |
9 |
7855 |
266.3 |
1.6 |
0.737 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
A |
26 |
8 |
7971 |
◊ |
B |
x-1,y,z |
1_455 |
28 |
10 |
7855 |
247.6 |
0.3 |
0.450 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
D |
20 |
4 |
7945 |
◊ |
C |
x,y-1,z |
1_545 |
21 |
9 |
7906 |
178.1 |
0.1 |
0.577 |
3 |
2 |
0 |
0.000 |
| 13 |
15 |
|
D |
21 |
4 |
7945 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
5 |
7906 |
155.9 |
-0.7 |
0.476 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
C |
23 |
8 |
7906 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
7855 |
137.5 |
-1.5 |
0.368 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
D |
13 |
7 |
7945 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
7971 |
132.5 |
0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[ADP]B:181 |
9 |
1 |
550 |
◊ |
[ADP]A:180 |
x,y,z |
1_555 |
8 |
1 |
542 |
83.7 |
-1.5 |
0.600 |
0 |
0 |
0 |
0.000 |
19 |
|
[ADP]D:183 |
9 |
1 |
553 |
◊ |
[ADP]C:182 |
x,y,z |
1_555 |
11 |
1 |
557 |
82.6 |
-1.7 |
0.623 |
0 |
0 |
0 |
0.000 |
| Average: |
83.2 |
-1.6 |
0.612 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[CL]D:211 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
7945 |
70.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.145 |
21 |
|
[CL]B:199 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
7855 |
66.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.145 |
22 |
|
[CL]A:193 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7971 |
62.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.145 |
| Average: |
66.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.145 |
| 18 |
23 |
|
[MG]D:208 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
7945 |
54.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.124 |
24 |
|
[MG]B:196 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
7855 |
53.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.124 |
25 |
|
[MG]A:190 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7971 |
37.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.124 |
26 |
|
[MG]C:202 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
7906 |
37.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
45.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.124 |
| 19 |
27 |
|
D |
6 |
3 |
7945 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
4 |
7971 |
44.7 |
0.3 |
0.611 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[ADP]C:182 |
5 |
1 |
557 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
7945 |
41.0 |
0.0 |
0.442 |
0 |
0 |
0 |
0.000 |
29 |
|
[ADP]A:180 |
4 |
1 |
542 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
7855 |
35.8 |
0.4 |
0.439 |
0 |
0 |
0 |
0.000 |
| Average: |
38.4 |
0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[ADP]A:180 |
4 |
1 |
542 |
f |
[MG]A:190 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.180 |
31 |
|
[ADP]C:182 |
5 |
1 |
557 |
f |
[MG]C:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.180 |
32 |
|
[ADP]D:183 |
4 |
1 |
553 |
f |
[MG]D:208 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.180 |
33 |
|
[ADP]B:181 |
4 |
1 |
550 |
f |
[MG]B:196 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.180 |
| Average: |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.180 |
| 22 |
34 |
|
[ADP]D:183 |
4 |
1 |
553 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7906 |
35.7 |
0.4 |
0.459 |
0 |
0 |
0 |
0.000 |
35 |
|
[ADP]B:181 |
5 |
1 |
550 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
7971 |
34.9 |
0.2 |
0.490 |
0 |
0 |
0 |
0.000 |
| Average: |
35.3 |
0.3 |
0.474 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
B |
5 |
2 |
7855 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
7906 |
33.2 |
0.6 |
0.659 |
0 |
1 |
0 |
0.000 |
| 24 |
37 |
|
[ADP]A:180 |
1 |
1 |
542 |
f |
[CL]A:193 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.049 |
38 |
|
[ADP]B:181 |
3 |
1 |
550 |
f |
[CL]B:199 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.049 |
39 |
|
[ADP]D:183 |
3 |
1 |
553 |
f |
[CL]D:211 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
19.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.049 |
| 25 |
40 |
|
[MG]C:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7971 |
18.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.027 |
| 26 |
41 |
|
[ADP]C:182 |
1 |
1 |
557 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7971 |
14.8 |
-0.7 |
0.440 |
0 |
0 |
0 |
0.011 |
| 27 |
42 |
|
A |
3 |
1 |
7971 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
7971 |
11.0 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[CL]B:199 |
1 |
1 |
125 |
f |
[MG]B:196 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| 29 |
44 |
|
C |
1 |
1 |
7906 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
7855 |
10.0 |
0.3 |
0.775 |
0 |
0 |
0 |
0.000 |
| 30 |
45 |
|
[CL]A:193 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7906 |
9.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 31 |
46 |
|
D |
1 |
1 |
7945 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
7971 |
9.1 |
0.5 |
0.885 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
[CL]A:193 |
1 |
1 |
125 |
f |
[MG]A:190 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| 33 |
48 |
|
[CL]D:211 |
1 |
1 |
125 |
f |
[MG]D:208 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
|