## |
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 |
105 |
25 |
12365 |
◊ |
A |
x,y,z |
1_555 |
114 |
25 |
15127 |
1080.6 |
-4.2 |
0.510 |
17 |
3 |
0 |
0.025 |
2 |
|
D |
109 |
26 |
12189 |
◊ |
C |
x,y,z |
1_555 |
107 |
25 |
14539 |
1003.4 |
-4.9 |
0.482 |
15 |
3 |
0 |
0.025 |
Average: |
1042.0 |
-4.6 |
0.496 |
16 |
3 |
0 |
0.025 |
2 |
3 |
|
D |
46 |
12 |
12189 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
15127 |
467.2 |
-2.8 |
0.411 |
3 |
0 |
0 |
0.000 |
4 |
|
B |
43 |
11 |
12365 |
◊ |
C |
x,y,z |
1_555 |
41 |
15 |
14539 |
425.1 |
-3.1 |
0.358 |
4 |
0 |
0 |
0.000 |
Average: |
446.2 |
-2.9 |
0.384 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
[ADP]A:1101 |
27 |
1 |
545 |
f |
A |
x,y,z |
1_555 |
56 |
24 |
15127 |
356.6 |
-6.0 |
0.486 |
5 |
0 |
0 |
0.029 |
6 |
|
[ADP]C:1101 |
27 |
1 |
538 |
f |
C |
x,y,z |
1_555 |
51 |
22 |
14539 |
348.5 |
-6.7 |
0.500 |
6 |
0 |
0 |
0.029 |
Average: |
352.5 |
-6.3 |
0.493 |
6 |
0 |
0 |
0.029 |
4 |
7 |
|
C |
38 |
8 |
14539 |
◊ |
A |
x,y-1,z-1 |
1_544 |
40 |
10 |
15127 |
332.5 |
-3.0 |
0.376 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
39 |
11 |
12365 |
◊ |
D |
x-1,y,z+1 |
1_456 |
38 |
11 |
12189 |
331.3 |
-2.5 |
0.431 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
B |
14 |
4 |
12365 |
x |
B |
x-1,y,z |
1_455 |
25 |
8 |
12365 |
198.1 |
-1.3 |
0.315 |
2 |
1 |
0 |
0.000 |
7 |
10 |
|
A |
19 |
5 |
15127 |
x |
A |
x-1,y,z |
1_455 |
25 |
7 |
15127 |
184.6 |
1.2 |
0.778 |
1 |
1 |
0 |
0.000 |
8 |
11 |
|
A |
22 |
10 |
15127 |
◊ |
D |
x-1,y,z |
1_455 |
18 |
6 |
12189 |
181.9 |
-2.9 |
0.160 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]A:1106 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
15127 |
115.7 |
2.8 |
0.447 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
14 |
7 |
14539 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
4 |
12189 |
115.7 |
0.7 |
0.736 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
12 |
3 |
12365 |
◊ |
A |
x-1,y-1,z |
1_445 |
15 |
3 |
15127 |
103.4 |
-1.3 |
0.373 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
6 |
1 |
14539 |
◊ |
D |
x-1,y-1,z |
1_445 |
8 |
2 |
12189 |
60.2 |
-1.0 |
0.318 |
0 |
0 |
0 |
0.000 |
Average: |
81.8 |
-1.2 |
0.346 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]B:301 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
12365 |
89.7 |
2.5 |
0.271 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[AF3]C:1102 |
4 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
14539 |
87.0 |
2.0 |
0.529 |
4 |
0 |
0 |
0.000 |
14 |
18 |
|
[AF3]A:1102 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15127 |
78.1 |
1.6 |
0.706 |
4 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]C:1105 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
14539 |
77.9 |
1.7 |
0.364 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
B |
14 |
3 |
12365 |
f |
[EDO]D:303 |
x-1,y,z+1 |
1_456 |
4 |
1 |
185 |
72.1 |
2.1 |
0.829 |
3 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]C:1105 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
12189 |
71.9 |
2.1 |
0.284 |
3 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]D:303 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
12189 |
69.0 |
1.3 |
0.162 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
C |
9 |
3 |
14539 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15127 |
65.5 |
1.9 |
0.887 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
A |
8 |
4 |
15127 |
◊ |
D |
x-1,y,z+1 |
1_456 |
9 |
6 |
12189 |
59.5 |
-0.5 |
0.452 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
6 |
4 |
12365 |
◊ |
C |
x-1,y,z+1 |
1_456 |
6 |
2 |
14539 |
52.4 |
-0.9 |
0.310 |
0 |
0 |
0 |
0.000 |
Average: |
56.0 |
-0.7 |
0.381 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[MG]A:1105 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15127 |
57.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.019 |
22 |
27 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
12189 |
46.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.064 |
23 |
28 |
|
[AF3]C:1102 |
4 |
1 |
197 |
f |
[ADP]C:1101 |
x,y,z |
1_555 |
5 |
1 |
538 |
40.0 |
-2.0 |
0.327 |
0 |
0 |
0 |
0.006 |
24 |
29 |
|
[AF3]A:1102 |
4 |
1 |
189 |
f |
[ADP]A:1101 |
x,y,z |
1_555 |
5 |
1 |
545 |
39.5 |
-2.0 |
0.417 |
0 |
0 |
0 |
0.005 |
25 |
30 |
|
B |
8 |
3 |
12365 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
15127 |
39.4 |
1.1 |
0.815 |
1 |
1 |
0 |
0.000 |
26 |
31 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12189 |
39.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.045 |
27 |
32 |
|
[MG]C:1104 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
14539 |
39.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.012 |
33 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15127 |
37.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
38.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.012 |
28 |
34 |
|
D |
6 |
3 |
12189 |
x |
D |
x-1,y,z |
1_455 |
5 |
3 |
12189 |
32.7 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
B |
5 |
3 |
12365 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
4 |
15127 |
29.9 |
0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[MG]C:1103 |
1 |
1 |
98 |
f |
[ADP]C:1101 |
x,y,z |
1_555 |
5 |
1 |
538 |
29.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
37 |
|
[MG]A:1103 |
1 |
1 |
98 |
f |
[ADP]A:1101 |
x,y,z |
1_555 |
6 |
1 |
545 |
28.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
28.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.014 |
31 |
38 |
|
[MG]C:1103 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
14539 |
27.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.012 |
39 |
|
[MG]A:1103 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15127 |
27.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
27.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.012 |
32 |
40 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
[ADP]A:1101 |
x,y,z |
1_555 |
5 |
1 |
545 |
25.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.011 |
41 |
|
[MG]C:1104 |
1 |
1 |
98 |
f |
[ADP]C:1101 |
x,y,z |
1_555 |
5 |
1 |
538 |
24.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
24.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
42 |
|
[MG]C:1104 |
1 |
1 |
98 |
f |
[AF3]C:1102 |
x,y,z |
1_555 |
3 |
1 |
197 |
25.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.007 |
34 |
43 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
[AF3]A:1102 |
x,y,z |
1_555 |
4 |
1 |
189 |
25.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.007 |
35 |
44 |
|
[MG]A:1103 |
1 |
1 |
98 |
f |
[AF3]A:1102 |
x,y,z |
1_555 |
3 |
1 |
189 |
23.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
36 |
45 |
|
[MG]C:1103 |
1 |
1 |
98 |
f |
[AF3]C:1102 |
x,y,z |
1_555 |
3 |
1 |
197 |
22.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.006 |
37 |
46 |
|
D |
1 |
1 |
12189 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
12365 |
18.2 |
-0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
A |
3 |
2 |
15127 |
◊ |
[MG]D:301 |
x-1,y,z+1 |
1_456 |
1 |
1 |
98 |
18.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
C |
3 |
1 |
14539 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
12365 |
11.7 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
[MG]A:1103 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
41 |
50 |
|
[MG]C:1104 |
1 |
1 |
98 |
f |
[MG]C:1103 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.005 |
42 |
51 |
|
[EDO]B:301 |
2 |
1 |
181 |
f |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
12189 |
4.5 |
0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
|