## |
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 |
|
D |
302 |
79 |
17669 |
◊ |
C |
x,y,z |
1_555 |
296 |
77 |
17703 |
2989.7 |
-38.5 |
0.055 |
36 |
22 |
0 |
0.588 |
2 |
|
B |
306 |
78 |
17651 |
◊ |
A |
x,y,z |
1_555 |
288 |
77 |
17655 |
2941.7 |
-38.0 |
0.050 |
37 |
22 |
0 |
0.588 |
Average: |
2965.7 |
-38.2 |
0.053 |
37 |
22 |
0 |
0.588 |
2 |
3 |
|
C |
173 |
46 |
17703 |
◊ |
B |
x,y,z |
1_555 |
175 |
48 |
17651 |
1717.2 |
-24.7 |
0.083 |
8 |
3 |
0 |
0.413 |
4 |
|
D |
171 |
46 |
17669 |
◊ |
A |
x,y,z |
1_555 |
171 |
47 |
17655 |
1673.6 |
-24.4 |
0.080 |
6 |
2 |
0 |
0.413 |
Average: |
1695.4 |
-24.6 |
0.082 |
7 |
3 |
0 |
0.413 |
3 |
5 |
|
C |
62 |
15 |
17703 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
62 |
16 |
17703 |
549.1 |
1.1 |
0.823 |
4 |
4 |
0 |
0.000 |
4 |
6 |
|
B |
43 |
13 |
17651 |
x |
B |
-x-1,y-1/2,-z+1 |
2_446 |
35 |
9 |
17651 |
357.8 |
2.1 |
0.856 |
4 |
4 |
0 |
0.000 |
5 |
7 |
|
A |
47 |
11 |
17655 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
48 |
16 |
17651 |
352.8 |
-2.1 |
0.611 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
[ADP]C:401 |
26 |
1 |
564 |
cf |
C |
x,y,z |
1_555 |
48 |
20 |
17703 |
321.8 |
-5.2 |
0.583 |
12 |
0 |
0 |
0.296 |
9 |
|
[ADP]A:401 |
27 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
50 |
21 |
17655 |
318.6 |
-5.2 |
0.596 |
10 |
0 |
0 |
0.296 |
10 |
|
[ADP]D:401 |
26 |
1 |
562 |
f |
D |
x,y,z |
1_555 |
48 |
21 |
17669 |
317.3 |
-5.2 |
0.589 |
13 |
0 |
0 |
0.296 |
11 |
|
[ADP]B:401 |
26 |
1 |
561 |
cf |
B |
x,y,z |
1_555 |
48 |
20 |
17651 |
313.6 |
-4.7 |
0.608 |
9 |
0 |
0 |
0.296 |
Average: |
317.8 |
-5.1 |
0.594 |
11 |
0 |
0 |
0.296 |
7 |
12 |
|
D |
47 |
13 |
17669 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
40 |
11 |
17655 |
318.6 |
1.0 |
0.808 |
2 |
6 |
0 |
0.000 |
8 |
13 |
|
C |
33 |
11 |
17703 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
17655 |
252.4 |
-4.3 |
0.314 |
0 |
0 |
0 |
0.032 |
14 |
|
D |
32 |
10 |
17669 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
17651 |
248.3 |
-4.1 |
0.333 |
0 |
0 |
0 |
0.032 |
Average: |
250.4 |
-4.2 |
0.323 |
0 |
0 |
0 |
0.032 |
9 |
15 |
|
D |
23 |
6 |
17669 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
26 |
8 |
17703 |
208.7 |
1.3 |
0.803 |
2 |
2 |
0 |
0.000 |
10 |
16 |
|
C |
22 |
5 |
17703 |
◊ |
A |
x,y-1,z-1 |
1_544 |
22 |
5 |
17655 |
189.2 |
2.3 |
0.864 |
4 |
2 |
0 |
0.000 |
17 |
|
D |
21 |
5 |
17669 |
◊ |
B |
x,y-1,z-1 |
1_544 |
22 |
5 |
17651 |
170.1 |
2.1 |
0.859 |
2 |
0 |
0 |
0.000 |
Average: |
179.7 |
2.2 |
0.862 |
3 |
1 |
0 |
0.000 |
11 |
18 |
|
B |
19 |
5 |
17651 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
27 |
7 |
17655 |
176.6 |
0.7 |
0.709 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[ADP]B:401 |
15 |
1 |
561 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
17655 |
152.7 |
0.6 |
0.802 |
1 |
0 |
0 |
0.000 |
20 |
|
[ADP]C:401 |
16 |
1 |
564 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
17669 |
152.2 |
0.9 |
0.818 |
1 |
0 |
0 |
0.000 |
21 |
|
[ADP]D:401 |
15 |
1 |
562 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
17703 |
147.1 |
0.4 |
0.798 |
2 |
0 |
0 |
0.000 |
Average: |
150.7 |
0.6 |
0.806 |
1 |
0 |
0 |
0.001 |
13 |
22 |
|
[ADP]A:401 |
16 |
1 |
560 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
17651 |
146.2 |
0.6 |
0.811 |
2 |
0 |
0 |
0.003 |
14 |
23 |
|
A |
9 |
3 |
17655 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
7 |
1 |
17651 |
76.1 |
0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
D |
11 |
2 |
17669 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
7 |
2 |
17655 |
61.7 |
-0.7 |
0.423 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
C |
8 |
2 |
17703 |
◊ |
B |
x,y-1,z-1 |
1_544 |
6 |
2 |
17651 |
51.5 |
-1.1 |
0.371 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
5 |
1 |
17669 |
◊ |
A |
x,y-1,z-1 |
1_544 |
6 |
2 |
17655 |
42.6 |
-1.1 |
0.318 |
0 |
0 |
0 |
0.000 |
Average: |
47.0 |
-1.1 |
0.344 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17655 |
44.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.173 |
28 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
17703 |
43.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.173 |
29 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17651 |
41.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.173 |
30 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
17669 |
40.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.173 |
Average: |
42.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.173 |
18 |
31 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[ADP]B:401 |
x,y,z |
1_555 |
3 |
1 |
561 |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.140 |
32 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[ADP]D:401 |
x,y,z |
1_555 |
4 |
1 |
562 |
32.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.140 |
33 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
3 |
1 |
560 |
32.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.140 |
34 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[ADP]C:401 |
x,y,z |
1_555 |
4 |
1 |
564 |
32.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
32.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.140 |
19 |
35 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
4 |
17651 |
32.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.291 |
36 |
|
[ZN]C:404 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
4 |
17703 |
32.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.291 |
37 |
|
[ZN]C:404 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
4 |
17669 |
31.8 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.291 |
38 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
4 |
17655 |
31.5 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.291 |
Average: |
31.9 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.291 |
20 |
39 |
|
C |
2 |
2 |
17703 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
4 |
2 |
17651 |
30.6 |
1.2 |
0.873 |
1 |
1 |
0 |
0.000 |
21 |
40 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17703 |
4.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
41 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17655 |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
3.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
22 |
42 |
|
C |
1 |
1 |
17703 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
17655 |
1.0 |
0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
|