| ## |
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 |
175 |
47 |
23321 |
◊ |
B |
x,y,z |
1_555 |
167 |
47 |
23209 |
1667.0 |
-17.6 |
0.044 |
32 |
8 |
0 |
0.419 |
2 |
|
C |
169 |
47 |
23069 |
◊ |
A |
x,y,z |
1_555 |
173 |
48 |
23129 |
1655.5 |
-19.6 |
0.036 |
33 |
6 |
0 |
0.419 |
| Average: |
1661.2 |
-18.6 |
0.040 |
33 |
7 |
0 |
0.419 |
| 2 |
3 |
|
B |
124 |
33 |
23209 |
◊ |
A |
x,y,z |
1_555 |
129 |
33 |
23129 |
1105.8 |
-4.9 |
0.432 |
13 |
10 |
0 |
0.129 |
4 |
|
D |
108 |
31 |
23321 |
◊ |
C |
x,y,z |
1_555 |
121 |
32 |
23069 |
1027.4 |
-4.9 |
0.417 |
17 |
9 |
0 |
0.129 |
| Average: |
1066.6 |
-4.9 |
0.425 |
15 |
10 |
0 |
0.129 |
| 3 |
5 |
|
D |
50 |
13 |
23321 |
◊ |
C |
x,y,z-1 |
1_554 |
61 |
17 |
23069 |
514.0 |
4.9 |
0.904 |
7 |
8 |
0 |
0.000 |
| 4 |
6 |
|
C |
57 |
17 |
23069 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
18 |
23321 |
470.6 |
3.1 |
0.719 |
6 |
3 |
0 |
0.000 |
| 5 |
7 |
|
A |
49 |
17 |
23129 |
x |
A |
-x+2,y-1/2,-z+2 |
2_747 |
48 |
15 |
23129 |
432.7 |
2.9 |
0.832 |
6 |
7 |
0 |
0.000 |
| 6 |
8 |
|
C |
41 |
14 |
23069 |
◊ |
A |
x,y-1,z |
1_545 |
48 |
18 |
23129 |
352.8 |
-0.2 |
0.639 |
3 |
0 |
0 |
0.000 |
| 7 |
9 |
|
C |
52 |
19 |
23069 |
◊ |
B |
x,y-1,z |
1_545 |
45 |
13 |
23209 |
349.7 |
1.5 |
0.756 |
4 |
4 |
0 |
0.000 |
| 8 |
10 |
|
B |
38 |
14 |
23209 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
42 |
10 |
23209 |
307.8 |
1.8 |
0.755 |
3 |
2 |
0 |
0.000 |
| 9 |
11 |
|
B |
33 |
9 |
23209 |
◊ |
A |
x,y,z-1 |
1_554 |
34 |
11 |
23129 |
286.0 |
1.4 |
0.737 |
2 |
2 |
0 |
0.000 |
| 10 |
12 |
|
[AMP]D:527 |
20 |
1 |
472 |
f |
D |
x,y,z |
1_555 |
38 |
16 |
23321 |
260.1 |
-0.8 |
0.431 |
1 |
0 |
0 |
0.034 |
13 |
|
[AMP]B:527 |
20 |
1 |
490 |
f |
B |
x,y,z |
1_555 |
40 |
18 |
23209 |
248.1 |
-0.9 |
0.432 |
1 |
0 |
0 |
0.034 |
14 |
|
[AMP]A:527 |
19 |
1 |
467 |
f |
A |
x,y,z |
1_555 |
42 |
18 |
23129 |
246.1 |
-1.1 |
0.440 |
1 |
0 |
0 |
0.034 |
15 |
|
[AMP]C:527 |
20 |
1 |
479 |
f |
C |
x,y,z |
1_555 |
38 |
16 |
23069 |
242.6 |
-0.9 |
0.428 |
1 |
0 |
0 |
0.034 |
| Average: |
249.2 |
-0.9 |
0.433 |
1 |
0 |
0 |
0.034 |
| 11 |
16 |
|
[CIT]B:529 |
12 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
39 |
16 |
23209 |
206.5 |
0.0 |
0.413 |
8 |
0 |
0 |
0.102 |
17 |
|
[CIT]A:529 |
12 |
1 |
312 |
f |
A |
x,y,z |
1_555 |
40 |
17 |
23129 |
202.5 |
-0.3 |
0.388 |
9 |
0 |
0 |
0.102 |
18 |
|
[CIT]C:529 |
12 |
1 |
319 |
f |
C |
x,y,z |
1_555 |
38 |
15 |
23069 |
198.1 |
-0.3 |
0.374 |
9 |
0 |
0 |
0.102 |
| Average: |
202.4 |
-0.2 |
0.392 |
9 |
0 |
0 |
0.102 |
| 12 |
19 |
|
[CIT]D:529 |
12 |
1 |
315 |
f |
D |
x,y,z |
1_555 |
38 |
14 |
23321 |
205.8 |
-0.7 |
0.309 |
10 |
0 |
0 |
0.057 |
| 13 |
20 |
|
[POP]D:526 |
9 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
23321 |
134.0 |
-1.4 |
0.521 |
7 |
0 |
0 |
0.105 |
21 |
|
[POP]A:526 |
9 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
23129 |
131.1 |
-1.2 |
0.553 |
8 |
0 |
0 |
0.105 |
22 |
|
[POP]C:526 |
9 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
23069 |
119.4 |
-1.0 |
0.538 |
7 |
0 |
0 |
0.105 |
| Average: |
128.2 |
-1.2 |
0.537 |
7 |
0 |
0 |
0.105 |
| 14 |
23 |
|
[POP]B:526 |
9 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
23209 |
134.0 |
-1.0 |
0.485 |
6 |
0 |
0 |
0.041 |
| 15 |
24 |
|
[PO4]C:528 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
23069 |
91.1 |
-6.0 |
0.782 |
5 |
0 |
0 |
0.098 |
| 16 |
25 |
|
[PO4]D:528 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
23321 |
90.7 |
-5.6 |
0.766 |
4 |
0 |
0 |
0.082 |
| 17 |
26 |
|
D |
13 |
5 |
23321 |
x |
D |
x,y,z-1 |
1_554 |
10 |
4 |
23321 |
90.1 |
-0.1 |
0.526 |
1 |
0 |
0 |
0.000 |
27 |
|
C |
15 |
4 |
23069 |
x |
C |
x,y,z-1 |
1_554 |
8 |
5 |
23069 |
88.1 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
| Average: |
89.1 |
0.0 |
0.575 |
1 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[PO4]A:528 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
23129 |
88.1 |
-5.8 |
0.792 |
4 |
0 |
0 |
0.090 |
| 19 |
29 |
|
[PO4]B:528 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
23209 |
87.2 |
-5.3 |
0.794 |
4 |
0 |
0 |
0.078 |
| 20 |
30 |
|
[AMP]C:527 |
9 |
1 |
479 |
f |
[POP]C:526 |
x,y,z |
1_555 |
5 |
1 |
259 |
64.3 |
-1.0 |
0.513 |
0 |
0 |
0 |
0.012 |
31 |
|
[AMP]D:527 |
8 |
1 |
472 |
f |
[POP]D:526 |
x,y,z |
1_555 |
6 |
1 |
260 |
60.2 |
-1.1 |
0.512 |
0 |
0 |
0 |
0.012 |
| Average: |
62.2 |
-1.0 |
0.512 |
0 |
0 |
0 |
0.012 |
| 21 |
32 |
|
[AMP]B:527 |
8 |
1 |
490 |
f |
[POP]B:526 |
x,y,z |
1_555 |
7 |
1 |
260 |
64.0 |
-1.2 |
0.479 |
0 |
0 |
0 |
0.013 |
| 22 |
33 |
|
[AMP]A:527 |
7 |
1 |
467 |
f |
[POP]A:526 |
x,y,z |
1_555 |
5 |
1 |
263 |
61.3 |
-1.2 |
0.459 |
0 |
0 |
0 |
0.014 |
| 23 |
34 |
|
D |
6 |
5 |
23321 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
23321 |
38.9 |
1.2 |
0.773 |
1 |
1 |
0 |
0.000 |
| 24 |
35 |
|
[MG]C:530 |
1 |
1 |
98 |
f |
[POP]C:526 |
x,y,z |
1_555 |
3 |
1 |
259 |
36.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.090 |
36 |
|
[MG]D:530 |
1 |
1 |
98 |
f |
[POP]D:526 |
x,y,z |
1_555 |
3 |
1 |
260 |
36.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.090 |
37 |
|
[MG]B:530 |
1 |
1 |
98 |
f |
[POP]B:526 |
x,y,z |
1_555 |
5 |
1 |
260 |
35.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
36.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.090 |
| 25 |
38 |
|
[MG]B:530 |
1 |
1 |
98 |
f |
[AMP]B:527 |
x,y,z |
1_555 |
6 |
1 |
490 |
35.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.115 |
39 |
|
[MG]D:530 |
1 |
1 |
98 |
f |
[AMP]D:527 |
x,y,z |
1_555 |
4 |
1 |
472 |
33.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.115 |
40 |
|
[MG]C:530 |
1 |
1 |
98 |
f |
[AMP]C:527 |
x,y,z |
1_555 |
6 |
1 |
479 |
32.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.115 |
| Average: |
33.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.115 |
| 26 |
41 |
|
[MG]D:530 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
23321 |
15.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
42 |
|
[MG]C:530 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
23069 |
15.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.031 |
43 |
|
[MG]B:530 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
23209 |
12.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
14.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.031 |
| 27 |
44 |
|
B |
2 |
1 |
23209 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
23129 |
10.0 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
| 28 |
45 |
|
D |
1 |
1 |
23321 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
23129 |
4.0 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
| 29 |
46 |
|
[PO4]C:528 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23129 |
0.6 |
-0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
|