| ## |
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 |
427 |
105 |
23858 |
◊ |
A |
x,y,z |
1_555 |
421 |
102 |
23928 |
4096.7 |
-30.8 |
0.215 |
60 |
27 |
0 |
0.507 |
2 |
|
D |
415 |
102 |
23820 |
◊ |
C |
x,y,z |
1_555 |
423 |
102 |
23716 |
4056.1 |
-29.2 |
0.325 |
57 |
28 |
0 |
0.507 |
3 |
|
E |
419 |
102 |
23491 |
◊ |
E |
-x+3,y,-z+3 |
2_858 |
416 |
102 |
23491 |
4029.2 |
-27.3 |
0.628 |
59 |
28 |
0 |
0.507 |
| Average: |
4060.7 |
-29.1 |
0.389 |
59 |
28 |
0 |
0.507 |
| 2 |
4 |
|
[NDP]A:601 |
47 |
1 |
914 |
f |
A |
x,y,z |
1_555 |
74 |
31 |
23928 |
597.3 |
-4.3 |
0.419 |
23 |
0 |
0 |
0.246 |
5 |
|
[NDP]E:601 |
47 |
1 |
919 |
f |
E |
x,y,z |
1_555 |
73 |
32 |
23491 |
593.3 |
-4.3 |
0.500 |
22 |
0 |
0 |
0.246 |
6 |
|
[NDP]D:601 |
46 |
1 |
918 |
f |
D |
x,y,z |
1_555 |
75 |
32 |
23820 |
592.9 |
-4.4 |
0.436 |
22 |
0 |
0 |
0.246 |
7 |
|
[NDP]B:601 |
47 |
1 |
915 |
f |
B |
x,y,z |
1_555 |
73 |
31 |
23858 |
589.7 |
-4.1 |
0.434 |
25 |
0 |
0 |
0.246 |
8 |
|
[NDP]C:601 |
46 |
1 |
916 |
f |
C |
x,y,z |
1_555 |
71 |
32 |
23716 |
579.1 |
-3.6 |
0.472 |
20 |
0 |
0 |
0.246 |
| Average: |
590.5 |
-4.1 |
0.452 |
22 |
0 |
0 |
0.246 |
| 3 |
9 |
|
[MTX]B:604 |
33 |
1 |
700 |
f |
B |
x,y,z |
1_555 |
52 |
22 |
23858 |
451.6 |
-1.3 |
0.207 |
9 |
0 |
0 |
0.093 |
10 |
|
[MTX]C:604 |
33 |
1 |
695 |
f |
C |
x,y,z |
1_555 |
55 |
22 |
23716 |
451.2 |
-0.4 |
0.325 |
10 |
0 |
0 |
0.093 |
11 |
|
[MTX]A:604 |
33 |
1 |
698 |
f |
A |
x,y,z |
1_555 |
53 |
21 |
23928 |
445.1 |
-1.4 |
0.179 |
11 |
0 |
0 |
0.093 |
12 |
|
[MTX]D:604 |
33 |
1 |
700 |
f |
D |
x,y,z |
1_555 |
56 |
23 |
23820 |
443.7 |
-1.0 |
0.266 |
10 |
0 |
0 |
0.093 |
13 |
|
[MTX]E:604 |
33 |
1 |
699 |
f |
E |
x,y,z |
1_555 |
53 |
21 |
23491 |
442.1 |
-1.0 |
0.292 |
9 |
0 |
0 |
0.093 |
| Average: |
446.8 |
-1.0 |
0.254 |
10 |
0 |
0 |
0.093 |
| 4 |
14 |
|
[OEJ]A:603 |
32 |
1 |
658 |
f |
A |
x,y,z |
1_555 |
69 |
25 |
23928 |
443.1 |
-2.2 |
0.196 |
7 |
0 |
0 |
0.072 |
15 |
|
[OEJ]D:603 |
32 |
1 |
658 |
f |
D |
x,y,z |
1_555 |
67 |
24 |
23820 |
441.2 |
-0.8 |
0.290 |
6 |
0 |
0 |
0.072 |
16 |
|
[OEJ]E:603 |
32 |
1 |
657 |
f |
E |
x,y,z |
1_555 |
67 |
26 |
23491 |
439.4 |
-0.9 |
0.343 |
6 |
0 |
0 |
0.072 |
17 |
|
[OEJ]C:603 |
33 |
1 |
650 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
23716 |
438.7 |
-1.1 |
0.279 |
4 |
0 |
0 |
0.072 |
18 |
|
[OEJ]B:603 |
32 |
1 |
651 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
23858 |
433.5 |
-1.0 |
0.259 |
6 |
0 |
0 |
0.072 |
| Average: |
439.2 |
-1.2 |
0.274 |
6 |
0 |
0 |
0.072 |
| 5 |
19 |
|
A |
38 |
12 |
23928 |
x |
A |
-x+5/2,y-1/2,-z+2 |
4_747 |
39 |
10 |
23928 |
328.6 |
0.6 |
0.716 |
2 |
1 |
0 |
0.000 |
20 |
|
B |
38 |
13 |
23858 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
40 |
9 |
23716 |
312.0 |
-0.9 |
0.527 |
2 |
0 |
0 |
0.000 |
| Average: |
320.3 |
-0.2 |
0.621 |
2 |
1 |
0 |
0.000 |
| 6 |
21 |
|
[UFP]D:602 |
21 |
1 |
467 |
f |
D |
x,y,z |
1_555 |
39 |
19 |
23820 |
255.8 |
-1.9 |
0.564 |
11 |
0 |
0 |
0.105 |
22 |
|
[UFP]E:602 |
20 |
1 |
461 |
f |
E |
x,y,z |
1_555 |
41 |
18 |
23491 |
249.9 |
-1.5 |
0.633 |
9 |
0 |
0 |
0.105 |
23 |
|
[UFP]A:602 |
21 |
1 |
455 |
f |
A |
x,y,z |
1_555 |
38 |
18 |
23928 |
246.1 |
-1.6 |
0.557 |
8 |
0 |
0 |
0.105 |
24 |
|
[UFP]B:602 |
21 |
1 |
462 |
f |
B |
x,y,z |
1_555 |
37 |
17 |
23858 |
245.6 |
-2.4 |
0.479 |
9 |
0 |
0 |
0.105 |
25 |
|
[UFP]C:602 |
21 |
1 |
460 |
f |
C |
x,y,z |
1_555 |
39 |
18 |
23716 |
245.5 |
-1.4 |
0.604 |
9 |
0 |
0 |
0.105 |
| Average: |
248.6 |
-1.8 |
0.567 |
9 |
0 |
0 |
0.105 |
| 7 |
26 |
|
E |
22 |
4 |
23491 |
◊ |
D |
x,y,z |
1_555 |
28 |
10 |
23820 |
217.8 |
0.7 |
0.760 |
4 |
1 |
0 |
0.000 |
27 |
|
C |
28 |
10 |
23716 |
◊ |
A |
x,y,z |
1_555 |
21 |
4 |
23928 |
216.1 |
0.7 |
0.752 |
4 |
1 |
0 |
0.000 |
28 |
|
B |
22 |
4 |
23858 |
◊ |
A |
-x+2,y,-z+2 |
2_757 |
30 |
10 |
23928 |
215.6 |
0.6 |
0.728 |
4 |
1 |
0 |
0.000 |
29 |
|
D |
22 |
4 |
23820 |
◊ |
B |
x,y,z |
1_555 |
28 |
10 |
23858 |
211.7 |
0.6 |
0.733 |
4 |
1 |
0 |
0.000 |
30 |
|
E |
26 |
10 |
23491 |
◊ |
C |
-x+3,y,-z+3 |
2_858 |
21 |
4 |
23716 |
211.0 |
1.7 |
0.811 |
4 |
1 |
0 |
0.000 |
| Average: |
214.4 |
0.9 |
0.757 |
4 |
1 |
0 |
0.000 |
| 8 |
31 |
|
B |
19 |
10 |
23858 |
◊ |
B |
-x+2,y,-z+2 |
2_757 |
19 |
10 |
23858 |
112.3 |
2.7 |
0.909 |
4 |
0 |
0 |
0.000 |
32 |
|
D |
11 |
5 |
23820 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
23928 |
88.8 |
2.0 |
0.893 |
3 |
0 |
0 |
0.000 |
33 |
|
E |
13 |
8 |
23491 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
23716 |
66.9 |
1.0 |
0.833 |
2 |
0 |
0 |
0.000 |
| Average: |
89.3 |
1.9 |
0.878 |
3 |
0 |
0 |
0.000 |
| 9 |
34 |
|
[UFP]B:602 |
8 |
1 |
462 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
23928 |
91.9 |
-2.4 |
0.318 |
3 |
0 |
0 |
0.060 |
35 |
|
[UFP]A:602 |
8 |
1 |
455 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
23858 |
81.9 |
-2.5 |
0.339 |
3 |
0 |
0 |
0.060 |
| Average: |
86.9 |
-2.4 |
0.328 |
3 |
0 |
0 |
0.060 |
| 10 |
36 |
|
[UFP]E:602 |
8 |
1 |
461 |
◊ |
E |
-x+3,y,-z+3 |
2_858 |
13 |
2 |
23491 |
88.1 |
-2.1 |
0.339 |
2 |
0 |
0 |
0.069 |
37 |
|
[UFP]C:602 |
8 |
1 |
460 |
◊ |
D |
x,y,z |
1_555 |
13 |
2 |
23820 |
86.8 |
-1.9 |
0.336 |
6 |
0 |
0 |
0.069 |
38 |
|
[UFP]D:602 |
8 |
1 |
467 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
23716 |
81.8 |
-2.1 |
0.346 |
3 |
0 |
0 |
0.069 |
| Average: |
85.6 |
-2.0 |
0.340 |
4 |
0 |
0 |
0.069 |
| 11 |
39 |
|
[MTX]D:604 |
13 |
1 |
700 |
f |
[NDP]D:601 |
x,y,z |
1_555 |
10 |
1 |
918 |
83.6 |
0.2 |
0.409 |
0 |
0 |
0 |
0.000 |
40 |
|
[MTX]C:604 |
13 |
1 |
695 |
f |
[NDP]C:601 |
x,y,z |
1_555 |
10 |
1 |
916 |
83.1 |
0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
41 |
|
[MTX]B:604 |
13 |
1 |
700 |
f |
[NDP]B:601 |
x,y,z |
1_555 |
10 |
1 |
915 |
80.4 |
0.2 |
0.413 |
0 |
0 |
0 |
0.000 |
42 |
|
[MTX]E:604 |
13 |
1 |
699 |
f |
[NDP]E:601 |
x,y,z |
1_555 |
10 |
1 |
919 |
78.8 |
0.4 |
0.429 |
0 |
0 |
0 |
0.000 |
43 |
|
[MTX]A:604 |
13 |
1 |
698 |
f |
[NDP]A:601 |
x,y,z |
1_555 |
10 |
1 |
914 |
77.4 |
0.3 |
0.414 |
0 |
0 |
0 |
0.000 |
| Average: |
80.7 |
0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
| 12 |
44 |
|
[OEJ]C:603 |
13 |
1 |
650 |
f |
[UFP]C:602 |
x,y,z |
1_555 |
13 |
1 |
460 |
80.2 |
3.3 |
0.651 |
1 |
0 |
0 |
0.000 |
45 |
|
[OEJ]A:603 |
13 |
1 |
658 |
f |
[UFP]A:602 |
x,y,z |
1_555 |
14 |
1 |
455 |
79.2 |
3.1 |
0.638 |
1 |
0 |
0 |
0.000 |
46 |
|
[OEJ]B:603 |
12 |
1 |
651 |
f |
[UFP]B:602 |
x,y,z |
1_555 |
12 |
1 |
462 |
78.0 |
3.1 |
0.649 |
1 |
0 |
0 |
0.000 |
| Average: |
79.1 |
3.2 |
0.646 |
1 |
0 |
0 |
0.000 |
| 13 |
47 |
|
[OEJ]D:603 |
12 |
1 |
658 |
f |
[UFP]D:602 |
x,y,z |
1_555 |
14 |
1 |
467 |
79.2 |
3.3 |
0.666 |
1 |
0 |
0 |
0.000 |
48 |
|
[OEJ]E:603 |
12 |
1 |
657 |
f |
[UFP]E:602 |
x,y,z |
1_555 |
12 |
1 |
461 |
76.5 |
3.0 |
0.644 |
1 |
0 |
0 |
0.000 |
| Average: |
77.9 |
3.2 |
0.655 |
1 |
0 |
0 |
0.000 |
| 14 |
49 |
|
[NDP]A:601 |
1 |
1 |
914 |
◊ |
A |
-x+5/2,y-1/2,-z+2 |
4_747 |
3 |
1 |
23928 |
16.7 |
0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
50 |
|
[NDP]B:601 |
1 |
1 |
915 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
23716 |
15.5 |
0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
| Average: |
16.1 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
| 15 |
51 |
|
[OEJ]C:603 |
1 |
1 |
650 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
23820 |
2.1 |
0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
52 |
|
[OEJ]B:603 |
1 |
1 |
651 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23928 |
0.3 |
0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
53 |
|
[OEJ]E:603 |
1 |
1 |
657 |
◊ |
E |
-x+3,y,-z+3 |
2_858 |
1 |
1 |
23491 |
0.1 |
0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
| Average: |
0.8 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
|