| ## |
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 |
315 |
81 |
20206 |
◊ |
A |
x,y,z |
1_555 |
312 |
79 |
19878 |
2977.8 |
-37.0 |
0.033 |
41 |
2 |
0 |
0.189 |
2 |
|
D |
309 |
81 |
20076 |
◊ |
C |
x,y,z |
1_555 |
314 |
81 |
20121 |
2944.5 |
-37.4 |
0.026 |
38 |
2 |
0 |
0.189 |
| Average: |
2961.1 |
-37.2 |
0.029 |
40 |
2 |
0 |
0.189 |
| 2 |
3 |
|
C |
192 |
54 |
20121 |
◊ |
A |
x,y,z |
1_555 |
196 |
54 |
19878 |
1745.8 |
-5.1 |
0.742 |
22 |
6 |
0 |
0.057 |
4 |
|
D |
194 |
53 |
20076 |
◊ |
B |
x,y,z |
1_555 |
197 |
53 |
20206 |
1734.6 |
-6.2 |
0.699 |
22 |
6 |
0 |
0.057 |
| Average: |
1740.2 |
-5.6 |
0.720 |
22 |
6 |
0 |
0.057 |
| 3 |
5 |
|
A |
67 |
19 |
19878 |
◊ |
A |
-x+1,y,-z |
2_655 |
67 |
19 |
19878 |
624.6 |
-5.7 |
0.388 |
0 |
0 |
0 |
0.000 |
| 4 |
6 |
|
D |
67 |
19 |
20076 |
◊ |
D |
-x,y,-z+1 |
2_556 |
66 |
19 |
20076 |
598.4 |
-5.9 |
0.353 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[NAD]C:504 |
43 |
1 |
857 |
f |
C |
x,y,z |
1_555 |
70 |
31 |
20121 |
512.6 |
-4.8 |
0.572 |
16 |
0 |
0 |
0.085 |
8 |
|
[NAD]A:504 |
43 |
1 |
854 |
f |
A |
x,y,z |
1_555 |
67 |
30 |
19878 |
510.4 |
-5.2 |
0.523 |
16 |
0 |
0 |
0.085 |
9 |
|
[NAD]D:505 |
43 |
1 |
853 |
f |
D |
x,y,z |
1_555 |
68 |
31 |
20076 |
510.4 |
-4.6 |
0.586 |
14 |
0 |
0 |
0.085 |
10 |
|
[NAD]B:504 |
42 |
1 |
851 |
f |
B |
x,y,z |
1_555 |
71 |
31 |
20206 |
509.4 |
-5.5 |
0.523 |
16 |
0 |
0 |
0.085 |
| Average: |
510.7 |
-5.0 |
0.551 |
16 |
0 |
0 |
0.085 |
| 6 |
11 |
|
D |
50 |
19 |
20076 |
◊ |
B |
-x,y,-z |
2_555 |
39 |
11 |
20206 |
413.1 |
-2.3 |
0.538 |
1 |
3 |
0 |
0.000 |
| 7 |
12 |
|
D |
47 |
16 |
20076 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
19878 |
399.9 |
-5.5 |
0.209 |
1 |
1 |
0 |
0.017 |
13 |
|
C |
48 |
16 |
20121 |
◊ |
B |
x,y,z |
1_555 |
47 |
16 |
20206 |
390.4 |
-6.4 |
0.157 |
0 |
0 |
0 |
0.017 |
| Average: |
395.2 |
-6.0 |
0.183 |
1 |
1 |
0 |
0.017 |
| 8 |
14 |
|
D |
34 |
13 |
20076 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
49 |
13 |
20121 |
385.7 |
-1.2 |
0.632 |
4 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
32 |
11 |
19878 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
47 |
13 |
20206 |
382.1 |
-1.7 |
0.551 |
3 |
1 |
0 |
0.000 |
| 10 |
16 |
|
C |
27 |
10 |
20121 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
31 |
12 |
20121 |
310.4 |
0.6 |
0.755 |
2 |
2 |
0 |
0.000 |
| 11 |
17 |
|
[ADN]D:506 |
19 |
1 |
426 |
f |
D |
x,y,z |
1_555 |
43 |
20 |
20076 |
222.1 |
1.0 |
0.492 |
8 |
0 |
0 |
0.018 |
18 |
|
[ADN]C:505 |
19 |
1 |
426 |
f |
C |
x,y,z |
1_555 |
40 |
19 |
20121 |
222.0 |
0.9 |
0.470 |
8 |
0 |
0 |
0.018 |
19 |
|
[ADN]A:505 |
18 |
1 |
428 |
f |
A |
x,y,z |
1_555 |
41 |
19 |
19878 |
221.9 |
1.1 |
0.489 |
8 |
0 |
0 |
0.018 |
20 |
|
[ADN]B:505 |
18 |
1 |
426 |
f |
B |
x,y,z |
1_555 |
42 |
19 |
20206 |
221.2 |
1.0 |
0.486 |
8 |
0 |
0 |
0.018 |
| Average: |
221.8 |
1.0 |
0.484 |
8 |
0 |
0 |
0.018 |
| 12 |
21 |
|
B |
27 |
8 |
20206 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
21 |
9 |
19878 |
209.9 |
-1.7 |
0.485 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[NAD]D:505 |
15 |
1 |
853 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
20121 |
158.1 |
-2.1 |
0.515 |
3 |
0 |
0 |
0.023 |
23 |
|
[NAD]C:504 |
15 |
1 |
857 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
20076 |
158.0 |
-1.9 |
0.520 |
2 |
0 |
0 |
0.023 |
24 |
|
[NAD]B:504 |
15 |
1 |
851 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
19878 |
158.0 |
-2.0 |
0.529 |
2 |
0 |
0 |
0.023 |
25 |
|
[NAD]A:504 |
15 |
1 |
854 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
20206 |
156.5 |
-2.2 |
0.504 |
4 |
0 |
0 |
0.023 |
| Average: |
157.7 |
-2.0 |
0.517 |
3 |
0 |
0 |
0.023 |
| 14 |
26 |
|
C |
16 |
6 |
20121 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
15 |
5 |
20076 |
144.0 |
0.6 |
0.688 |
2 |
0 |
0 |
0.000 |
| 15 |
27 |
|
B |
14 |
6 |
20206 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
19 |
7 |
20206 |
138.4 |
0.4 |
0.703 |
1 |
0 |
0 |
0.000 |
| 16 |
28 |
|
B |
13 |
6 |
20206 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
4 |
20121 |
135.5 |
-3.3 |
0.113 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
C |
15 |
5 |
20121 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
16 |
5 |
19878 |
108.5 |
-0.6 |
0.573 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[K]D:501 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
20076 |
100.6 |
-76.0 |
0.000 |
0 |
0 |
0 |
0.521 |
31 |
|
[K]A:501 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
19878 |
99.9 |
-76.0 |
0.000 |
0 |
0 |
0 |
0.521 |
32 |
|
[K]B:501 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
20206 |
99.8 |
-75.8 |
0.000 |
0 |
0 |
0 |
0.521 |
33 |
|
[K]C:501 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
20121 |
99.6 |
-76.3 |
0.000 |
0 |
0 |
0 |
0.521 |
| Average: |
100.0 |
-76.0 |
0.000 |
0 |
0 |
0 |
0.521 |
| 19 |
34 |
|
[GOL]D:504 |
6 |
1 |
218 |
◊ |
B |
-x,y,-z |
2_555 |
12 |
6 |
20206 |
97.6 |
0.2 |
0.635 |
3 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[GOL]D:504 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
20076 |
87.4 |
-1.0 |
0.438 |
1 |
0 |
0 |
0.005 |
| 21 |
36 |
|
[PO4]D:503 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
20076 |
86.8 |
-5.9 |
0.656 |
1 |
0 |
0 |
0.022 |
| 22 |
37 |
|
[PO4]A:503 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19878 |
86.0 |
-5.7 |
0.656 |
1 |
0 |
0 |
0.021 |
| 23 |
38 |
|
[PO4]B:503 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20206 |
85.8 |
-5.7 |
0.647 |
1 |
0 |
0 |
0.021 |
| 24 |
39 |
|
[PO4]C:503 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
20121 |
85.4 |
-5.8 |
0.645 |
1 |
0 |
0 |
0.021 |
| 25 |
40 |
|
[ADN]A:505 |
6 |
1 |
428 |
f |
[NAD]A:504 |
x,y,z |
1_555 |
11 |
1 |
854 |
62.7 |
1.0 |
0.629 |
0 |
0 |
0 |
0.000 |
41 |
|
[ADN]C:505 |
7 |
1 |
426 |
f |
[NAD]C:504 |
x,y,z |
1_555 |
11 |
1 |
857 |
62.1 |
1.0 |
0.616 |
0 |
0 |
0 |
0.000 |
42 |
|
[ADN]D:506 |
6 |
1 |
426 |
f |
[NAD]D:505 |
x,y,z |
1_555 |
11 |
1 |
853 |
61.6 |
1.0 |
0.626 |
0 |
0 |
0 |
0.000 |
43 |
|
[ADN]B:505 |
6 |
1 |
426 |
f |
[NAD]B:504 |
x,y,z |
1_555 |
11 |
1 |
851 |
61.4 |
1.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| Average: |
61.9 |
1.0 |
0.626 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
[PO4]B:503 |
3 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20076 |
42.0 |
-2.4 |
0.542 |
1 |
0 |
0 |
0.010 |
| 27 |
45 |
|
[PO4]C:503 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19878 |
40.8 |
-2.3 |
0.567 |
1 |
0 |
0 |
0.009 |
| 28 |
46 |
|
[PO4]D:503 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20206 |
40.4 |
-2.3 |
0.533 |
1 |
0 |
0 |
0.009 |
| 29 |
47 |
|
[K]D:501 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
20206 |
40.4 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.138 |
48 |
|
[K]A:501 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
20121 |
40.0 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.138 |
49 |
|
[K]B:501 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
20076 |
39.9 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.138 |
50 |
|
[K]C:501 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
19878 |
38.8 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.138 |
| Average: |
39.8 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.138 |
| 30 |
51 |
|
[PO4]A:503 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20121 |
40.0 |
-2.2 |
0.568 |
1 |
0 |
0 |
0.009 |
| 31 |
52 |
|
C |
3 |
1 |
20121 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
20121 |
27.6 |
-0.8 |
0.226 |
0 |
0 |
0 |
0.000 |
| 32 |
53 |
|
A |
3 |
1 |
19878 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
19878 |
27.3 |
0.0 |
0.464 |
0 |
0 |
0 |
0.000 |
| 33 |
54 |
|
[ADN]C:505 |
2 |
1 |
426 |
f |
[K]C:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.077 |
55 |
|
[ADN]B:505 |
2 |
1 |
426 |
f |
[K]B:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.077 |
56 |
|
[ADN]D:506 |
2 |
1 |
426 |
f |
[K]D:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.077 |
57 |
|
[ADN]A:505 |
2 |
1 |
428 |
f |
[K]A:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
26.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.077 |
| 34 |
58 |
|
[ADN]B:505 |
2 |
1 |
426 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.059 |
59 |
|
[ADN]A:505 |
2 |
1 |
428 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.059 |
60 |
|
[ADN]C:505 |
2 |
1 |
426 |
f |
[ZN]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.059 |
61 |
|
[ADN]D:506 |
2 |
1 |
426 |
f |
[ZN]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
18.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.059 |
| 35 |
62 |
|
D |
3 |
1 |
20076 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
20076 |
11.3 |
-0.3 |
0.305 |
0 |
0 |
0 |
0.000 |
| 36 |
63 |
|
B |
1 |
1 |
20206 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
20206 |
7.5 |
-0.2 |
0.270 |
0 |
0 |
0 |
0.000 |
| 37 |
64 |
|
D |
2 |
1 |
20076 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
19878 |
7.3 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
| 38 |
65 |
|
D |
1 |
1 |
20076 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
19878 |
3.4 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
|