## |
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 |
384 |
88 |
14123 |
◊ |
A |
x,y,z |
1_555 |
396 |
92 |
14411 |
3791.0 |
-29.0 |
0.180 |
52 |
35 |
0 |
0.837 |
2 |
|
D |
378 |
89 |
13893 |
◊ |
C |
x,y,z |
1_555 |
367 |
88 |
14726 |
3612.1 |
-30.5 |
0.109 |
52 |
24 |
0 |
0.837 |
Average: |
3701.6 |
-29.7 |
0.145 |
52 |
30 |
0 |
0.837 |
2 |
3 |
|
C |
75 |
23 |
14726 |
◊ |
B |
x,y,z |
1_555 |
73 |
24 |
14123 |
711.2 |
-7.6 |
0.199 |
5 |
2 |
0 |
0.109 |
4 |
|
D |
70 |
23 |
13893 |
◊ |
A |
x,y,z |
1_555 |
71 |
22 |
14411 |
673.0 |
-6.2 |
0.280 |
5 |
2 |
0 |
0.109 |
Average: |
692.1 |
-6.9 |
0.240 |
5 |
2 |
0 |
0.109 |
3 |
5 |
|
D |
59 |
19 |
13893 |
◊ |
B |
x,y,z |
1_555 |
60 |
19 |
14123 |
624.9 |
-3.8 |
0.392 |
10 |
6 |
0 |
0.097 |
6 |
|
C |
57 |
18 |
14726 |
◊ |
A |
x,y,z |
1_555 |
59 |
18 |
14411 |
594.0 |
-3.6 |
0.408 |
7 |
6 |
0 |
0.097 |
Average: |
609.5 |
-3.7 |
0.400 |
9 |
6 |
0 |
0.097 |
4 |
7 |
|
C |
54 |
17 |
14726 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
54 |
15 |
13893 |
444.6 |
2.1 |
0.777 |
5 |
2 |
0 |
0.000 |
5 |
8 |
|
C |
35 |
10 |
14726 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
36 |
10 |
14726 |
307.4 |
-0.2 |
0.650 |
6 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
35 |
9 |
14123 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
31 |
9 |
14411 |
290.3 |
-0.2 |
0.645 |
5 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
20 |
6 |
14123 |
◊ |
B |
-x+1,y,-z |
2_655 |
19 |
6 |
14123 |
169.8 |
1.9 |
0.833 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
22 |
6 |
14726 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
19 |
5 |
14726 |
167.9 |
0.7 |
0.681 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
19 |
5 |
14411 |
◊ |
A |
-x,y,-z |
2_555 |
19 |
5 |
14411 |
143.6 |
-0.7 |
0.566 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[SIN]A:2106 |
8 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
23 |
15 |
14411 |
131.8 |
2.0 |
0.474 |
7 |
0 |
0 |
0.033 |
14 |
|
[SIN]D:2406 |
8 |
1 |
251 |
f |
D |
x,y,z |
1_555 |
23 |
15 |
13893 |
131.5 |
2.0 |
0.449 |
7 |
0 |
0 |
0.033 |
15 |
|
[SIN]B:2206 |
8 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
23 |
15 |
14123 |
129.2 |
2.0 |
0.476 |
7 |
0 |
0 |
0.033 |
Average: |
130.8 |
2.0 |
0.466 |
7 |
0 |
0 |
0.033 |
11 |
16 |
|
[PYR]C:2305 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
21 |
13 |
14726 |
126.4 |
4.3 |
0.584 |
4 |
0 |
0 |
0.000 |
17 |
|
[PYR]A:2105 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
18 |
13 |
14411 |
103.5 |
3.7 |
0.619 |
3 |
0 |
0 |
0.000 |
18 |
|
[PYR]B:2205 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
19 |
13 |
14123 |
102.9 |
3.7 |
0.613 |
3 |
0 |
0 |
0.000 |
19 |
|
[PYR]D:2405 |
6 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
20 |
14 |
13893 |
102.4 |
3.7 |
0.613 |
4 |
0 |
0 |
0.000 |
Average: |
108.8 |
3.8 |
0.607 |
4 |
0 |
0 |
0.000 |
12 |
20 |
|
B |
11 |
3 |
14123 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
13 |
3 |
14123 |
76.5 |
-0.5 |
0.523 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
D |
8 |
4 |
13893 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
8 |
4 |
13893 |
63.8 |
-0.5 |
0.508 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
D |
7 |
2 |
13893 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
13893 |
61.9 |
0.5 |
0.731 |
0 |
2 |
0 |
0.000 |
15 |
23 |
|
[MG]C:2301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
14726 |
50.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.154 |
24 |
|
[MG]B:2201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14123 |
37.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.154 |
25 |
|
[MG]D:2401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
13893 |
37.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.154 |
26 |
|
[MG]A:2101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
14411 |
37.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
40.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.154 |
16 |
27 |
|
D |
5 |
1 |
13893 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
14726 |
44.7 |
-0.3 |
0.379 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[SIN]D:2406 |
5 |
1 |
251 |
f |
[PYR]D:2405 |
x,y,z |
1_555 |
6 |
1 |
215 |
39.7 |
1.9 |
0.450 |
0 |
0 |
0 |
0.000 |
29 |
|
[SIN]A:2106 |
5 |
1 |
250 |
f |
[PYR]A:2105 |
x,y,z |
1_555 |
6 |
1 |
214 |
39.5 |
1.8 |
0.437 |
0 |
0 |
0 |
0.000 |
30 |
|
[SIN]B:2206 |
5 |
1 |
250 |
f |
[PYR]B:2205 |
x,y,z |
1_555 |
6 |
1 |
214 |
39.0 |
1.9 |
0.482 |
0 |
0 |
0 |
0.000 |
Average: |
39.4 |
1.9 |
0.456 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[SIN]B:2206 |
3 |
1 |
250 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14411 |
35.6 |
1.4 |
0.538 |
2 |
0 |
0 |
0.000 |
32 |
|
[SIN]A:2106 |
3 |
1 |
250 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14123 |
35.1 |
1.3 |
0.508 |
2 |
0 |
0 |
0.000 |
33 |
|
[SIN]D:2406 |
3 |
1 |
251 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14726 |
35.0 |
1.4 |
0.525 |
2 |
0 |
0 |
0.000 |
Average: |
35.2 |
1.4 |
0.524 |
2 |
0 |
0 |
0.000 |
19 |
34 |
|
[PYR]C:2305 |
4 |
1 |
215 |
f |
[MG]C:2301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.089 |
35 |
|
[PYR]D:2405 |
4 |
1 |
215 |
f |
[MG]D:2401 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.089 |
36 |
|
[PYR]B:2205 |
4 |
1 |
214 |
f |
[MG]B:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.089 |
37 |
|
[PYR]A:2105 |
4 |
1 |
214 |
f |
[MG]A:2101 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
28.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.089 |
20 |
38 |
|
[SIN]D:2406 |
3 |
1 |
251 |
f |
[MG]D:2401 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.032 |
39 |
|
[SIN]B:2206 |
3 |
1 |
250 |
f |
[MG]B:2201 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.032 |
40 |
|
[SIN]A:2106 |
3 |
1 |
250 |
f |
[MG]A:2101 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.032 |
21 |
41 |
|
A |
1 |
1 |
14411 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
14123 |
3.9 |
-0.1 |
0.430 |
0 |
0 |
0 |
0.000 |
|