## |
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 |
224 |
58 |
23598 |
◊ |
C |
x,y,z |
1_555 |
229 |
60 |
23443 |
2168.7 |
-18.7 |
0.146 |
21 |
0 |
0 |
0.437 |
2 |
|
B |
224 |
57 |
23556 |
◊ |
A |
x,y,z |
1_555 |
226 |
60 |
23416 |
2137.8 |
-17.5 |
0.180 |
20 |
0 |
0 |
0.437 |
Average: |
2153.2 |
-18.1 |
0.163 |
21 |
0 |
0 |
0.437 |
2 |
3 |
|
D |
99 |
23 |
23598 |
◊ |
A |
x,y,z |
1_555 |
99 |
22 |
23416 |
867.8 |
-6.3 |
0.390 |
9 |
4 |
0 |
0.122 |
4 |
|
C |
96 |
24 |
23443 |
◊ |
B |
x,y,z |
1_555 |
95 |
23 |
23556 |
816.1 |
-5.9 |
0.388 |
8 |
4 |
0 |
0.122 |
Average: |
842.0 |
-6.1 |
0.389 |
9 |
4 |
0 |
0.122 |
3 |
5 |
|
C |
85 |
22 |
23443 |
◊ |
A |
x,y,z |
1_555 |
81 |
21 |
23416 |
791.6 |
-6.8 |
0.264 |
8 |
0 |
0 |
0.122 |
6 |
|
D |
83 |
20 |
23598 |
◊ |
B |
x,y,z |
1_555 |
82 |
22 |
23556 |
784.4 |
-6.9 |
0.282 |
8 |
2 |
0 |
0.122 |
Average: |
788.0 |
-6.8 |
0.273 |
8 |
1 |
0 |
0.122 |
4 |
7 |
|
[ATP]A:4601 |
31 |
1 |
645 |
f |
A |
x,y,z |
1_555 |
64 |
24 |
23416 |
430.0 |
-5.0 |
0.418 |
10 |
0 |
0 |
0.313 |
8 |
|
[ATP]B:1601 |
30 |
1 |
648 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
23556 |
427.3 |
-5.5 |
0.401 |
11 |
0 |
0 |
0.313 |
9 |
|
[ATP]D:3601 |
30 |
1 |
646 |
f |
D |
x,y,z |
1_555 |
65 |
24 |
23598 |
426.8 |
-5.2 |
0.425 |
9 |
0 |
0 |
0.313 |
10 |
|
[ATP]C:2601 |
30 |
1 |
648 |
f |
C |
x,y,z |
1_555 |
63 |
23 |
23443 |
425.8 |
-5.0 |
0.425 |
11 |
0 |
0 |
0.313 |
Average: |
427.5 |
-5.2 |
0.417 |
10 |
0 |
0 |
0.313 |
5 |
11 |
|
D |
40 |
14 |
23598 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
47 |
16 |
23443 |
361.0 |
-0.5 |
0.579 |
2 |
2 |
0 |
0.000 |
12 |
|
B |
35 |
14 |
23556 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
31 |
12 |
23416 |
263.9 |
-0.7 |
0.573 |
1 |
2 |
0 |
0.000 |
Average: |
312.4 |
-0.6 |
0.576 |
2 |
2 |
0 |
0.000 |
6 |
13 |
|
C |
47 |
15 |
23443 |
◊ |
C |
-x+1,y,-z |
2_655 |
47 |
15 |
23443 |
358.9 |
-0.9 |
0.601 |
6 |
0 |
0 |
0.000 |
7 |
14 |
|
D |
40 |
14 |
23598 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
40 |
13 |
23556 |
355.7 |
-0.6 |
0.597 |
5 |
1 |
0 |
0.000 |
8 |
15 |
|
[ATP]B:1602 |
27 |
1 |
581 |
f |
B |
x,y,z |
1_555 |
38 |
13 |
23556 |
317.9 |
1.4 |
0.744 |
11 |
0 |
0 |
0.109 |
16 |
|
[ATP]A:4602 |
28 |
1 |
577 |
f |
A |
x,y,z |
1_555 |
39 |
13 |
23416 |
316.7 |
1.0 |
0.694 |
10 |
0 |
0 |
0.109 |
17 |
|
[ATP]D:3602 |
27 |
1 |
578 |
f |
D |
x,y,z |
1_555 |
39 |
14 |
23598 |
316.2 |
1.3 |
0.739 |
12 |
0 |
0 |
0.109 |
18 |
|
[ATP]C:2602 |
27 |
1 |
576 |
f |
C |
x,y,z |
1_555 |
38 |
13 |
23443 |
313.6 |
1.5 |
0.737 |
10 |
0 |
0 |
0.109 |
Average: |
316.1 |
1.3 |
0.728 |
11 |
0 |
0 |
0.109 |
9 |
19 |
|
C |
29 |
9 |
23443 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
40 |
14 |
23416 |
284.6 |
0.3 |
0.613 |
5 |
2 |
0 |
0.000 |
20 |
|
D |
36 |
13 |
23598 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
9 |
23556 |
269.1 |
-0.9 |
0.554 |
1 |
1 |
0 |
0.000 |
Average: |
276.9 |
-0.3 |
0.583 |
3 |
2 |
0 |
0.000 |
10 |
21 |
|
[MLT]D:3701 |
9 |
1 |
253 |
f |
D |
x,y,z |
1_555 |
31 |
15 |
23598 |
155.4 |
1.3 |
0.550 |
9 |
0 |
0 |
0.063 |
22 |
|
[MLT]C:2701 |
9 |
1 |
253 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
23443 |
154.3 |
1.8 |
0.612 |
7 |
0 |
0 |
0.063 |
23 |
|
[MLT]B:1701 |
9 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
27 |
13 |
23556 |
154.2 |
1.4 |
0.555 |
8 |
0 |
0 |
0.063 |
24 |
|
[MLT]A:701 |
9 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
23416 |
150.2 |
1.4 |
0.593 |
7 |
0 |
0 |
0.063 |
Average: |
153.6 |
1.5 |
0.578 |
8 |
0 |
0 |
0.063 |
11 |
25 |
|
[FUM]C:2700 |
8 |
1 |
253 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
23443 |
146.5 |
2.6 |
0.003 |
3 |
0 |
0 |
0.000 |
26 |
|
[FUM]A:700 |
8 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
23416 |
146.2 |
2.6 |
0.003 |
3 |
0 |
0 |
0.000 |
27 |
|
[FUM]B:1700 |
8 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
23556 |
145.9 |
2.6 |
0.045 |
3 |
0 |
0 |
0.000 |
28 |
|
[FUM]D:3700 |
8 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
26 |
11 |
23598 |
144.6 |
2.7 |
0.003 |
3 |
0 |
0 |
0.000 |
Average: |
145.8 |
2.6 |
0.013 |
3 |
0 |
0 |
0.000 |
12 |
29 |
|
A |
14 |
4 |
23416 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
17 |
4 |
23443 |
129.9 |
-0.7 |
0.461 |
2 |
0 |
0 |
0.000 |
13 |
30 |
|
C |
9 |
3 |
23443 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
2 |
23556 |
79.6 |
1.7 |
0.854 |
2 |
3 |
0 |
0.000 |
14 |
31 |
|
[FUM]C:2700 |
8 |
1 |
253 |
f |
D |
x,y,z |
1_555 |
10 |
2 |
23598 |
71.4 |
1.2 |
0.660 |
0 |
0 |
0 |
0.000 |
32 |
|
[FUM]D:3700 |
8 |
1 |
254 |
f |
C |
x,y,z |
1_555 |
10 |
2 |
23443 |
70.8 |
1.2 |
0.654 |
0 |
0 |
0 |
0.000 |
33 |
|
[FUM]B:1700 |
8 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
23416 |
70.2 |
1.2 |
0.666 |
0 |
0 |
0 |
0.000 |
34 |
|
[FUM]A:700 |
8 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
23556 |
68.8 |
1.2 |
0.671 |
0 |
0 |
0 |
0.000 |
Average: |
70.3 |
1.2 |
0.663 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
[ATP]C:2602 |
6 |
1 |
576 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
23556 |
58.4 |
-1.1 |
0.480 |
0 |
0 |
0 |
0.018 |
36 |
|
[ATP]A:4602 |
6 |
1 |
577 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
23598 |
56.9 |
-0.7 |
0.523 |
0 |
0 |
0 |
0.018 |
37 |
|
[ATP]D:3602 |
6 |
1 |
578 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
23416 |
52.1 |
-0.7 |
0.528 |
0 |
0 |
0 |
0.018 |
38 |
|
[ATP]B:1602 |
6 |
1 |
581 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
23443 |
50.0 |
-0.6 |
0.534 |
0 |
0 |
0 |
0.018 |
Average: |
54.4 |
-0.8 |
0.516 |
0 |
0 |
0 |
0.018 |
16 |
39 |
|
[MN]C:2604 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
23443 |
52.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.135 |
40 |
|
[MN]D:3604 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
23598 |
52.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.135 |
41 |
|
[MN]B:1604 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
23556 |
51.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.135 |
42 |
|
[MN]A:4604 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
23416 |
50.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
51.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.135 |
17 |
43 |
|
D |
9 |
5 |
23598 |
◊ |
D |
-x,y,-z |
2_555 |
8 |
5 |
23598 |
46.2 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
18 |
44 |
|
[MN]A:4604 |
1 |
1 |
123 |
f |
[MLT]A:701 |
x,y,z |
1_555 |
5 |
1 |
253 |
36.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.057 |
45 |
|
[MN]B:1604 |
1 |
1 |
123 |
f |
[MLT]B:1701 |
x,y,z |
1_555 |
5 |
1 |
252 |
36.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.057 |
46 |
|
[MN]D:3604 |
1 |
1 |
123 |
f |
[MLT]D:3701 |
x,y,z |
1_555 |
5 |
1 |
253 |
35.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.057 |
47 |
|
[MN]C:2604 |
1 |
1 |
123 |
f |
[MLT]C:2701 |
x,y,z |
1_555 |
4 |
1 |
253 |
35.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
35.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.057 |
19 |
48 |
|
C |
5 |
2 |
23443 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
23556 |
32.5 |
-0.4 |
0.417 |
0 |
0 |
0 |
0.000 |
20 |
49 |
|
C |
3 |
1 |
23443 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
23416 |
29.9 |
0.4 |
0.564 |
0 |
0 |
0 |
0.000 |
50 |
|
D |
3 |
2 |
23598 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
23556 |
16.8 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.000 |
Average: |
23.3 |
-0.1 |
0.428 |
0 |
0 |
0 |
0.000 |
21 |
51 |
|
[ATP]C:2601 |
2 |
1 |
648 |
f |
[MLT]C:2701 |
x,y,z |
1_555 |
3 |
1 |
253 |
14.6 |
0.4 |
0.495 |
0 |
0 |
0 |
0.000 |
52 |
|
[ATP]B:1601 |
2 |
1 |
648 |
f |
[MLT]B:1701 |
x,y,z |
1_555 |
3 |
1 |
252 |
14.2 |
0.4 |
0.501 |
0 |
0 |
0 |
0.000 |
53 |
|
[ATP]D:3601 |
2 |
1 |
646 |
f |
[MLT]D:3701 |
x,y,z |
1_555 |
3 |
1 |
253 |
13.6 |
0.4 |
0.497 |
0 |
0 |
0 |
0.000 |
54 |
|
[ATP]A:4601 |
2 |
1 |
645 |
f |
[MLT]A:701 |
x,y,z |
1_555 |
3 |
1 |
253 |
12.4 |
0.4 |
0.468 |
0 |
0 |
0 |
0.000 |
Average: |
13.7 |
0.4 |
0.490 |
0 |
0 |
0 |
0.000 |
22 |
55 |
|
B |
3 |
1 |
23556 |
◊ |
[ATP]A:4601 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
645 |
4.1 |
0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
56 |
|
[ATP]D:3601 |
1 |
1 |
646 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
23443 |
1.3 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
2.7 |
0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
|