## |
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 |
244 |
68 |
15328 |
◊ |
C |
x,y,z |
1_555 |
247 |
72 |
15344 |
2408.6 |
-32.4 |
0.016 |
27 |
2 |
0 |
0.553 |
2 |
|
B |
244 |
68 |
15451 |
◊ |
A |
x,y,z |
1_555 |
242 |
68 |
15449 |
2402.2 |
-32.1 |
0.018 |
30 |
2 |
0 |
0.553 |
3 |
|
F |
247 |
71 |
15296 |
◊ |
E |
x,y,z |
1_555 |
246 |
69 |
15344 |
2401.9 |
-32.2 |
0.021 |
32 |
2 |
0 |
0.553 |
4 |
|
H |
240 |
66 |
15387 |
◊ |
G |
x,y,z |
1_555 |
240 |
67 |
15499 |
2381.1 |
-32.8 |
0.016 |
28 |
2 |
0 |
0.553 |
Average: |
2398.5 |
-32.4 |
0.018 |
29 |
2 |
0 |
0.553 |
2 |
5 |
|
H |
118 |
34 |
15387 |
◊ |
F |
x,y,z |
1_555 |
122 |
35 |
15296 |
1217.6 |
1.9 |
0.814 |
21 |
8 |
0 |
0.215 |
6 |
|
C |
118 |
34 |
15344 |
◊ |
A |
x,y,z |
1_555 |
117 |
34 |
15449 |
1210.4 |
-0.6 |
0.690 |
18 |
9 |
0 |
0.215 |
7 |
|
D |
120 |
34 |
15328 |
◊ |
B |
x,y,z |
1_555 |
117 |
34 |
15451 |
1200.7 |
0.2 |
0.741 |
20 |
8 |
0 |
0.215 |
8 |
|
G |
119 |
34 |
15499 |
◊ |
E |
x,y,z |
1_555 |
120 |
35 |
15344 |
1193.5 |
-1.6 |
0.670 |
19 |
8 |
0 |
0.215 |
Average: |
1205.6 |
-0.1 |
0.729 |
20 |
8 |
0 |
0.215 |
3 |
9 |
|
D |
90 |
24 |
15328 |
◊ |
F |
-x+1,-y,z-1/2 |
2_654 |
88 |
24 |
15296 |
817.0 |
-3.9 |
0.525 |
4 |
0 |
0 |
0.000 |
4 |
10 |
|
A |
91 |
27 |
15449 |
◊ |
H |
x-1/2,-y+1/2,-z |
8_455 |
87 |
26 |
15387 |
789.2 |
-3.6 |
0.559 |
8 |
0 |
0 |
0.000 |
11 |
|
B |
86 |
25 |
15451 |
◊ |
G |
-x+1/2,y-1/2,-z-1/2 |
7_544 |
85 |
26 |
15499 |
755.4 |
-3.5 |
0.553 |
7 |
0 |
0 |
0.000 |
Average: |
772.3 |
-3.5 |
0.556 |
8 |
0 |
0 |
0.000 |
5 |
12 |
|
E |
77 |
21 |
15344 |
◊ |
C |
x,y,z |
1_555 |
89 |
24 |
15344 |
704.6 |
-3.9 |
0.512 |
6 |
0 |
0 |
0.000 |
6 |
13 |
|
D |
37 |
14 |
15328 |
◊ |
A |
x,y,z |
1_555 |
37 |
15 |
15449 |
399.0 |
-8.2 |
0.031 |
2 |
0 |
0 |
0.086 |
14 |
|
H |
40 |
15 |
15387 |
◊ |
E |
x,y,z |
1_555 |
36 |
15 |
15344 |
397.7 |
-8.3 |
0.032 |
0 |
0 |
0 |
0.086 |
15 |
|
C |
37 |
15 |
15344 |
◊ |
B |
x,y,z |
1_555 |
35 |
14 |
15451 |
397.5 |
-8.1 |
0.029 |
2 |
0 |
0 |
0.086 |
16 |
|
G |
37 |
15 |
15499 |
◊ |
F |
x,y,z |
1_555 |
37 |
14 |
15296 |
396.3 |
-8.4 |
0.027 |
0 |
0 |
0 |
0.086 |
Average: |
397.6 |
-8.3 |
0.030 |
1 |
0 |
0 |
0.086 |
7 |
17 |
|
[96G]E:401 |
26 |
1 |
612 |
f |
E |
x,y,z |
1_555 |
53 |
18 |
15344 |
373.5 |
-7.2 |
0.317 |
7 |
0 |
0 |
0.363 |
18 |
|
[96G]B:401 |
26 |
1 |
614 |
f |
B |
x,y,z |
1_555 |
53 |
19 |
15451 |
372.4 |
-6.8 |
0.323 |
7 |
0 |
0 |
0.363 |
19 |
|
[96G]A:401 |
26 |
1 |
613 |
f |
A |
x,y,z |
1_555 |
51 |
18 |
15449 |
369.7 |
-6.6 |
0.324 |
5 |
0 |
0 |
0.363 |
20 |
|
[96G]H:401 |
26 |
1 |
615 |
f |
H |
x,y,z |
1_555 |
47 |
16 |
15387 |
368.6 |
-6.8 |
0.310 |
6 |
0 |
0 |
0.363 |
21 |
|
[96G]G:401 |
26 |
1 |
612 |
f |
G |
x,y,z |
1_555 |
53 |
20 |
15499 |
366.6 |
-6.5 |
0.353 |
5 |
0 |
0 |
0.363 |
22 |
|
[96G]C:401 |
26 |
1 |
613 |
f |
C |
x,y,z |
1_555 |
51 |
18 |
15344 |
366.3 |
-6.8 |
0.318 |
6 |
0 |
0 |
0.363 |
23 |
|
[96G]F:401 |
26 |
1 |
612 |
f |
F |
x,y,z |
1_555 |
53 |
20 |
15296 |
363.3 |
-6.9 |
0.321 |
7 |
0 |
0 |
0.363 |
24 |
|
[96G]D:401 |
26 |
1 |
608 |
f |
D |
x,y,z |
1_555 |
48 |
17 |
15328 |
360.3 |
-6.7 |
0.299 |
6 |
0 |
0 |
0.363 |
Average: |
367.6 |
-6.8 |
0.321 |
6 |
0 |
0 |
0.363 |
8 |
25 |
|
[FDP]G:402 |
19 |
1 |
464 |
f |
G |
x,y,z |
1_555 |
41 |
18 |
15499 |
305.1 |
-4.1 |
0.664 |
11 |
0 |
0 |
0.365 |
26 |
|
[FDP]H:402 |
19 |
1 |
462 |
f |
H |
x,y,z |
1_555 |
38 |
16 |
15387 |
304.3 |
-3.8 |
0.673 |
14 |
0 |
0 |
0.365 |
27 |
|
[FDP]B:402 |
19 |
1 |
461 |
f |
B |
x,y,z |
1_555 |
38 |
17 |
15451 |
302.9 |
-3.8 |
0.671 |
14 |
0 |
0 |
0.365 |
28 |
|
[FDP]D:402 |
19 |
1 |
455 |
f |
D |
x,y,z |
1_555 |
39 |
17 |
15328 |
302.4 |
-3.7 |
0.658 |
15 |
0 |
0 |
0.365 |
29 |
|
[FDP]A:402 |
19 |
1 |
457 |
f |
A |
x,y,z |
1_555 |
40 |
17 |
15449 |
301.8 |
-3.5 |
0.675 |
13 |
0 |
0 |
0.365 |
30 |
|
[FDP]E:402 |
19 |
1 |
457 |
f |
E |
x,y,z |
1_555 |
40 |
18 |
15344 |
301.2 |
-3.6 |
0.666 |
15 |
0 |
0 |
0.365 |
Average: |
303.0 |
-3.7 |
0.668 |
14 |
0 |
0 |
0.365 |
9 |
31 |
|
[FDP]F:402 |
19 |
1 |
453 |
f |
F |
x,y,z |
1_555 |
41 |
17 |
15296 |
303.1 |
-0.9 |
0.782 |
14 |
0 |
0 |
0.086 |
32 |
|
[FDP]C:402 |
19 |
1 |
449 |
f |
C |
x,y,z |
1_555 |
39 |
17 |
15344 |
299.7 |
-0.9 |
0.775 |
14 |
0 |
0 |
0.086 |
Average: |
301.4 |
-0.9 |
0.779 |
14 |
0 |
0 |
0.086 |
10 |
33 |
|
A |
27 |
13 |
15449 |
◊ |
A |
x,-y,-z |
4_555 |
27 |
13 |
15449 |
188.3 |
-0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
14 |
6 |
15451 |
◊ |
B |
x,-y,-z-1 |
4_554 |
14 |
6 |
15451 |
100.2 |
-0.3 |
0.591 |
0 |
0 |
0 |
0.000 |
35 |
|
G |
4 |
1 |
15499 |
◊ |
G |
-x+1,y,-z-1/2 |
3_654 |
4 |
1 |
15499 |
43.1 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
Average: |
110.5 |
-0.1 |
0.640 |
0 |
0 |
0 |
0.000 |
11 |
36 |
|
D |
17 |
6 |
15328 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
20 |
7 |
15344 |
167.6 |
1.0 |
0.763 |
2 |
0 |
0 |
0.000 |
12 |
37 |
|
C |
18 |
7 |
15344 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
18 |
7 |
15344 |
149.3 |
2.4 |
0.877 |
0 |
0 |
0 |
0.000 |
13 |
38 |
|
[96G]C:401 |
4 |
1 |
613 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
15449 |
73.1 |
-0.8 |
0.499 |
0 |
0 |
0 |
0.026 |
39 |
|
[96G]F:401 |
5 |
1 |
612 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
15387 |
72.2 |
-0.8 |
0.531 |
0 |
0 |
0 |
0.026 |
40 |
|
[96G]B:401 |
5 |
1 |
614 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
15328 |
70.8 |
-0.7 |
0.549 |
0 |
0 |
0 |
0.026 |
41 |
|
[96G]G:401 |
4 |
1 |
612 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
15344 |
69.8 |
-0.8 |
0.483 |
0 |
0 |
0 |
0.026 |
42 |
|
[96G]A:401 |
5 |
1 |
613 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
15344 |
68.8 |
-0.5 |
0.591 |
0 |
0 |
0 |
0.026 |
43 |
|
[96G]D:401 |
4 |
1 |
608 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
15451 |
68.5 |
-0.7 |
0.519 |
0 |
0 |
0 |
0.026 |
44 |
|
[96G]H:401 |
4 |
1 |
615 |
◊ |
F |
x,y,z |
1_555 |
12 |
6 |
15296 |
68.0 |
-0.5 |
0.554 |
0 |
0 |
0 |
0.026 |
45 |
|
[96G]E:401 |
3 |
1 |
612 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
15499 |
67.1 |
-0.5 |
0.535 |
0 |
0 |
0 |
0.026 |
Average: |
69.8 |
-0.7 |
0.533 |
0 |
0 |
0 |
0.026 |
14 |
46 |
|
[96G]D:401 |
9 |
1 |
608 |
◊ |
[96G]B:401 |
x,y,z |
1_555 |
10 |
1 |
614 |
72.1 |
-1.5 |
0.674 |
0 |
0 |
0 |
0.031 |
47 |
|
[96G]H:401 |
9 |
1 |
615 |
◊ |
[96G]F:401 |
x,y,z |
1_555 |
9 |
1 |
612 |
72.0 |
-1.6 |
0.657 |
0 |
0 |
0 |
0.031 |
48 |
|
[96G]G:401 |
9 |
1 |
612 |
◊ |
[96G]E:401 |
x,y,z |
1_555 |
9 |
1 |
612 |
71.8 |
-1.6 |
0.639 |
0 |
0 |
0 |
0.031 |
49 |
|
[96G]C:401 |
9 |
1 |
613 |
◊ |
[96G]A:401 |
x,y,z |
1_555 |
9 |
1 |
613 |
71.7 |
-1.4 |
0.668 |
0 |
0 |
0 |
0.031 |
Average: |
71.9 |
-1.5 |
0.659 |
0 |
0 |
0 |
0.031 |
15 |
50 |
|
F |
8 |
3 |
15296 |
◊ |
C |
x,-y,-z |
4_555 |
7 |
3 |
15344 |
52.2 |
-0.7 |
0.453 |
0 |
0 |
0 |
0.000 |
16 |
51 |
|
[FDP]F:402 |
4 |
1 |
453 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
15344 |
51.1 |
-0.1 |
0.617 |
2 |
0 |
0 |
0.012 |
52 |
|
[FDP]C:402 |
4 |
1 |
449 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
15328 |
49.7 |
0.0 |
0.623 |
2 |
0 |
0 |
0.012 |
Average: |
50.4 |
-0.0 |
0.620 |
2 |
0 |
0 |
0.012 |
17 |
53 |
|
[FDP]A:402 |
4 |
1 |
457 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15451 |
50.7 |
0.3 |
0.681 |
2 |
0 |
0 |
0.007 |
54 |
|
[FDP]D:402 |
4 |
1 |
455 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
15344 |
49.8 |
0.3 |
0.667 |
2 |
0 |
0 |
0.007 |
55 |
|
[FDP]H:402 |
4 |
1 |
462 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
15499 |
49.2 |
0.5 |
0.706 |
2 |
0 |
0 |
0.007 |
56 |
|
[FDP]E:402 |
4 |
1 |
457 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
15296 |
49.2 |
0.5 |
0.699 |
2 |
0 |
0 |
0.007 |
57 |
|
[FDP]G:402 |
5 |
1 |
464 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
15387 |
48.4 |
1.7 |
0.849 |
2 |
0 |
0 |
0.007 |
58 |
|
[FDP]B:402 |
5 |
1 |
461 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15449 |
47.6 |
1.7 |
0.850 |
2 |
0 |
0 |
0.007 |
Average: |
49.1 |
0.8 |
0.742 |
2 |
0 |
0 |
0.007 |
18 |
59 |
|
D |
3 |
2 |
15328 |
◊ |
D |
-x+1,y,-z-1/2 |
3_654 |
4 |
2 |
15328 |
29.7 |
0.6 |
0.817 |
0 |
0 |
0 |
0.000 |
19 |
60 |
|
E |
6 |
2 |
15344 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
1 |
1 |
15344 |
18.1 |
0.6 |
0.738 |
0 |
0 |
0 |
0.000 |
20 |
61 |
|
H |
1 |
1 |
15387 |
◊ |
H |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
15387 |
16.3 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
|