## |
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 |
|
A |
419 |
101 |
24186 |
◊ |
A |
-x,y,-z |
2_555 |
416 |
101 |
24186 |
4107.1 |
-27.4 |
0.348 |
67 |
30 |
0 |
0.550 |
2 |
|
D |
418 |
102 |
24174 |
◊ |
B |
x,y,z |
1_555 |
422 |
103 |
24347 |
4106.3 |
-28.4 |
0.262 |
64 |
29 |
0 |
0.550 |
3 |
|
C |
426 |
102 |
24339 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
418 |
101 |
24565 |
4086.3 |
-30.7 |
0.185 |
65 |
28 |
0 |
0.550 |
Average: |
4099.9 |
-28.8 |
0.265 |
65 |
29 |
0 |
0.550 |
2 |
4 |
|
[NDP]D:601 |
46 |
1 |
916 |
f |
D |
x,y,z |
1_555 |
77 |
31 |
24174 |
589.8 |
-4.3 |
0.435 |
23 |
0 |
0 |
0.268 |
5 |
|
[NDP]A:601 |
46 |
1 |
919 |
f |
A |
x,y,z |
1_555 |
77 |
31 |
24186 |
589.5 |
-4.6 |
0.437 |
25 |
0 |
0 |
0.268 |
6 |
|
[NDP]E:601 |
47 |
1 |
919 |
f |
E |
x,y,z |
1_555 |
75 |
31 |
24565 |
588.7 |
-4.3 |
0.411 |
22 |
0 |
0 |
0.268 |
7 |
|
[NDP]B:601 |
47 |
1 |
911 |
f |
B |
x,y,z |
1_555 |
78 |
31 |
24347 |
587.2 |
-4.3 |
0.425 |
25 |
0 |
0 |
0.268 |
8 |
|
[NDP]C:601 |
46 |
1 |
916 |
f |
C |
x,y,z |
1_555 |
78 |
31 |
24339 |
586.8 |
-4.3 |
0.425 |
20 |
0 |
0 |
0.268 |
Average: |
588.4 |
-4.4 |
0.427 |
23 |
0 |
0 |
0.268 |
3 |
9 |
|
[MTX]B:604 |
33 |
1 |
699 |
f |
B |
x,y,z |
1_555 |
59 |
23 |
24347 |
456.7 |
-0.8 |
0.294 |
8 |
0 |
0 |
0.081 |
10 |
|
[MTX]D:604 |
33 |
1 |
696 |
f |
D |
x,y,z |
1_555 |
60 |
24 |
24174 |
456.6 |
-0.8 |
0.308 |
8 |
0 |
0 |
0.081 |
11 |
|
[MTX]E:604 |
33 |
1 |
698 |
f |
E |
x,y,z |
1_555 |
60 |
23 |
24565 |
454.4 |
-0.6 |
0.302 |
9 |
0 |
0 |
0.081 |
12 |
|
[MTX]C:604 |
33 |
1 |
698 |
f |
C |
x,y,z |
1_555 |
57 |
23 |
24339 |
453.5 |
-0.8 |
0.289 |
9 |
0 |
0 |
0.081 |
13 |
|
[MTX]A:604 |
33 |
1 |
696 |
f |
A |
x,y,z |
1_555 |
58 |
24 |
24186 |
443.9 |
-1.1 |
0.279 |
8 |
0 |
0 |
0.081 |
Average: |
453.0 |
-0.8 |
0.294 |
8 |
0 |
0 |
0.081 |
4 |
14 |
|
[OED]A:603 |
31 |
1 |
677 |
f |
A |
x,y,z |
1_555 |
66 |
26 |
24186 |
450.6 |
0.5 |
0.292 |
5 |
0 |
0 |
0.030 |
15 |
|
[OED]D:603 |
32 |
1 |
673 |
f |
D |
x,y,z |
1_555 |
66 |
25 |
24174 |
445.0 |
0.5 |
0.271 |
6 |
0 |
0 |
0.030 |
16 |
|
[OED]C:603 |
32 |
1 |
679 |
f |
C |
x,y,z |
1_555 |
64 |
25 |
24339 |
445.0 |
0.4 |
0.237 |
5 |
0 |
0 |
0.030 |
17 |
|
[OED]E:603 |
32 |
1 |
678 |
f |
E |
x,y,z |
1_555 |
65 |
25 |
24565 |
444.7 |
1.1 |
0.269 |
4 |
0 |
0 |
0.030 |
18 |
|
[OED]B:603 |
32 |
1 |
674 |
f |
B |
x,y,z |
1_555 |
64 |
25 |
24347 |
441.5 |
1.1 |
0.280 |
4 |
0 |
0 |
0.030 |
Average: |
445.4 |
0.7 |
0.270 |
5 |
0 |
0 |
0.030 |
5 |
19 |
|
E |
32 |
11 |
24565 |
x |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
10 |
24565 |
299.5 |
0.1 |
0.653 |
3 |
1 |
0 |
0.000 |
20 |
|
D |
36 |
9 |
24174 |
x |
C |
x,y,z |
1_555 |
34 |
11 |
24339 |
288.4 |
-0.4 |
0.578 |
2 |
0 |
0 |
0.000 |
Average: |
294.0 |
-0.2 |
0.615 |
3 |
1 |
0 |
0.000 |
6 |
21 |
|
[UFP]B:602 |
21 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
40 |
20 |
24347 |
249.2 |
-2.1 |
0.498 |
11 |
0 |
0 |
0.115 |
22 |
|
[UFP]E:602 |
21 |
1 |
463 |
f |
E |
x,y,z |
1_555 |
39 |
19 |
24565 |
248.9 |
-2.1 |
0.479 |
10 |
0 |
0 |
0.115 |
23 |
|
[UFP]D:602 |
21 |
1 |
459 |
f |
D |
x,y,z |
1_555 |
38 |
19 |
24174 |
248.0 |
-2.1 |
0.500 |
10 |
0 |
0 |
0.115 |
24 |
|
[UFP]C:602 |
21 |
1 |
460 |
f |
C |
x,y,z |
1_555 |
40 |
19 |
24339 |
247.2 |
-1.4 |
0.568 |
9 |
0 |
0 |
0.115 |
25 |
|
[UFP]A:602 |
21 |
1 |
456 |
f |
A |
x,y,z |
1_555 |
38 |
18 |
24186 |
246.0 |
-1.4 |
0.608 |
9 |
0 |
0 |
0.115 |
Average: |
247.9 |
-1.8 |
0.531 |
10 |
0 |
0 |
0.115 |
7 |
26 |
|
B |
27 |
9 |
24347 |
◊ |
A |
x,y,z |
1_555 |
22 |
4 |
24186 |
210.7 |
0.6 |
0.696 |
3 |
1 |
0 |
0.000 |
27 |
|
D |
23 |
5 |
24174 |
◊ |
A |
-x,y,-z |
2_555 |
29 |
11 |
24186 |
207.9 |
0.7 |
0.723 |
3 |
1 |
0 |
0.000 |
28 |
|
E |
21 |
4 |
24565 |
◊ |
D |
x,y,z |
1_555 |
29 |
9 |
24174 |
207.6 |
0.6 |
0.704 |
3 |
1 |
0 |
0.000 |
29 |
|
C |
28 |
10 |
24339 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
23 |
5 |
24347 |
206.0 |
0.7 |
0.703 |
3 |
1 |
0 |
0.000 |
30 |
|
C |
22 |
4 |
24339 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
9 |
24565 |
203.6 |
0.6 |
0.684 |
3 |
1 |
0 |
0.000 |
Average: |
207.2 |
0.6 |
0.702 |
3 |
1 |
0 |
0.000 |
8 |
31 |
|
E |
13 |
6 |
24565 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
24347 |
107.9 |
2.3 |
0.883 |
3 |
0 |
0 |
0.000 |
32 |
|
D |
15 |
7 |
24174 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
24186 |
106.1 |
2.3 |
0.891 |
3 |
0 |
0 |
0.000 |
33 |
|
C |
12 |
6 |
24339 |
◊ |
C |
-x,y,-z+1 |
2_556 |
13 |
6 |
24339 |
104.1 |
2.2 |
0.893 |
4 |
0 |
0 |
0.000 |
Average: |
106.0 |
2.2 |
0.889 |
3 |
0 |
0 |
0.000 |
9 |
34 |
|
C |
12 |
2 |
24339 |
◊ |
[UFP]E:602 |
x-1/2,y-1/2,z |
3_445 |
8 |
1 |
463 |
88.5 |
-2.3 |
0.301 |
3 |
0 |
0 |
0.064 |
35 |
|
[UFP]B:602 |
8 |
1 |
459 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
24174 |
87.6 |
-2.5 |
0.297 |
3 |
0 |
0 |
0.064 |
36 |
|
[UFP]C:602 |
7 |
1 |
460 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
12 |
2 |
24565 |
87.2 |
-2.4 |
0.257 |
3 |
0 |
0 |
0.064 |
37 |
|
[UFP]A:602 |
7 |
1 |
456 |
◊ |
A |
-x,y,-z |
2_555 |
12 |
2 |
24186 |
86.5 |
-2.2 |
0.293 |
3 |
0 |
0 |
0.064 |
38 |
|
[UFP]D:602 |
8 |
1 |
459 |
◊ |
B |
x,y,z |
1_555 |
11 |
2 |
24347 |
86.4 |
-2.3 |
0.300 |
3 |
0 |
0 |
0.064 |
Average: |
87.2 |
-2.4 |
0.290 |
3 |
0 |
0 |
0.064 |
10 |
39 |
|
[MTX]A:604 |
13 |
1 |
696 |
f |
[NDP]A:601 |
x,y,z |
1_555 |
10 |
1 |
919 |
80.2 |
0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
40 |
|
[MTX]D:604 |
13 |
1 |
696 |
f |
[NDP]D:601 |
x,y,z |
1_555 |
10 |
1 |
916 |
79.0 |
0.3 |
0.433 |
0 |
0 |
0 |
0.000 |
41 |
|
[MTX]B:604 |
13 |
1 |
699 |
f |
[NDP]B:601 |
x,y,z |
1_555 |
10 |
1 |
911 |
78.6 |
0.3 |
0.432 |
0 |
0 |
0 |
0.000 |
42 |
|
[MTX]C:604 |
13 |
1 |
698 |
f |
[NDP]C:601 |
x,y,z |
1_555 |
10 |
1 |
916 |
78.4 |
0.3 |
0.438 |
0 |
0 |
0 |
0.000 |
43 |
|
[MTX]E:604 |
13 |
1 |
698 |
f |
[NDP]E:601 |
x,y,z |
1_555 |
10 |
1 |
919 |
77.4 |
0.4 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
78.7 |
0.3 |
0.437 |
0 |
0 |
0 |
0.000 |
11 |
44 |
|
[OED]D:603 |
13 |
1 |
673 |
f |
[UFP]D:602 |
x,y,z |
1_555 |
13 |
1 |
459 |
79.8 |
3.3 |
0.648 |
1 |
0 |
0 |
0.000 |
45 |
|
[OED]C:603 |
13 |
1 |
679 |
f |
[UFP]C:602 |
x,y,z |
1_555 |
13 |
1 |
460 |
79.7 |
3.2 |
0.630 |
1 |
0 |
0 |
0.000 |
46 |
|
[OED]E:603 |
13 |
1 |
678 |
f |
[UFP]E:602 |
x,y,z |
1_555 |
13 |
1 |
463 |
79.4 |
3.3 |
0.653 |
1 |
0 |
0 |
0.000 |
47 |
|
[OED]B:603 |
13 |
1 |
674 |
f |
[UFP]B:602 |
x,y,z |
1_555 |
13 |
1 |
459 |
79.0 |
3.2 |
0.650 |
1 |
0 |
0 |
0.000 |
48 |
|
[OED]A:603 |
13 |
1 |
677 |
f |
[UFP]A:602 |
x,y,z |
1_555 |
13 |
1 |
456 |
79.0 |
3.2 |
0.647 |
1 |
0 |
0 |
0.000 |
Average: |
79.4 |
3.2 |
0.645 |
1 |
0 |
0 |
0.000 |
12 |
49 |
|
[NDP]C:601 |
1 |
1 |
916 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
24174 |
13.6 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
50 |
|
[NDP]E:601 |
1 |
1 |
919 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
24565 |
11.9 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
Average: |
12.7 |
0.1 |
0.569 |
0 |
0 |
0 |
0.000 |
13 |
51 |
|
[OED]B:603 |
1 |
1 |
674 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24174 |
1.4 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
52 |
|
[OED]D:603 |
1 |
1 |
673 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24347 |
1.2 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
|