| ## |
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 |
|
F |
69 |
20 |
12628 |
◊ |
E |
x,y,z |
1_555 |
72 |
19 |
12747 |
768.6 |
-15.0 |
0.002 |
6 |
0 |
0 |
0.166 |
2 |
|
D |
70 |
19 |
13139 |
◊ |
C |
x,y,z |
1_555 |
69 |
19 |
12933 |
765.7 |
-15.7 |
0.001 |
6 |
0 |
0 |
0.166 |
3 |
|
B |
72 |
20 |
12895 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
12796 |
760.5 |
-15.8 |
0.001 |
6 |
0 |
0 |
0.166 |
| Average: |
764.9 |
-15.5 |
0.002 |
6 |
0 |
0 |
0.166 |
| 2 |
4 |
|
C |
73 |
20 |
12933 |
◊ |
B |
x,y,z |
1_555 |
74 |
20 |
12895 |
678.3 |
2.3 |
0.785 |
15 |
2 |
0 |
0.044 |
5 |
|
E |
66 |
17 |
12747 |
◊ |
D |
x,y,z |
1_555 |
69 |
18 |
13139 |
646.0 |
3.4 |
0.838 |
12 |
2 |
0 |
0.044 |
6 |
|
F |
77 |
20 |
12628 |
◊ |
A |
x,y,z |
1_555 |
70 |
20 |
12796 |
645.7 |
3.0 |
0.809 |
13 |
2 |
0 |
0.044 |
| Average: |
656.7 |
2.9 |
0.811 |
13 |
2 |
0 |
0.044 |
| 3 |
7 |
|
[NAD]A:501 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
89 |
32 |
12796 |
575.0 |
-6.1 |
0.505 |
14 |
0 |
0 |
0.227 |
8 |
|
[NAD]D:501 |
43 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
91 |
34 |
13139 |
572.3 |
-5.6 |
0.534 |
15 |
0 |
0 |
0.227 |
9 |
|
[NAD]E:501 |
43 |
1 |
816 |
f |
E |
x,y,z |
1_555 |
89 |
32 |
12747 |
572.0 |
-5.2 |
0.579 |
14 |
0 |
0 |
0.227 |
10 |
|
[NAD]C:501 |
43 |
1 |
808 |
f |
C |
x,y,z |
1_555 |
84 |
32 |
12933 |
566.6 |
-5.8 |
0.532 |
14 |
0 |
0 |
0.227 |
11 |
|
[NAD]B:501 |
42 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
82 |
32 |
12895 |
565.9 |
-5.9 |
0.532 |
14 |
0 |
0 |
0.227 |
12 |
|
[NAD]F:501 |
43 |
1 |
820 |
f |
F |
x,y,z |
1_555 |
85 |
30 |
12628 |
562.9 |
-5.3 |
0.541 |
13 |
0 |
0 |
0.227 |
| Average: |
569.1 |
-5.6 |
0.537 |
14 |
0 |
0 |
0.227 |
| 4 |
13 |
|
B |
41 |
17 |
12895 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
10 |
13139 |
387.0 |
-3.2 |
0.244 |
3 |
1 |
0 |
0.000 |
14 |
|
E |
30 |
8 |
12747 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
40 |
16 |
12796 |
346.3 |
-4.9 |
0.074 |
2 |
1 |
0 |
0.000 |
| Average: |
366.7 |
-4.1 |
0.159 |
3 |
1 |
0 |
0.000 |
| 5 |
15 |
|
C |
43 |
12 |
12933 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
41 |
14 |
13139 |
382.3 |
-4.7 |
0.174 |
3 |
0 |
0 |
0.000 |
| 6 |
16 |
|
[UGA]E:503 |
29 |
1 |
678 |
f |
E |
x,y,z |
1_555 |
40 |
13 |
12747 |
304.4 |
-3.7 |
0.674 |
9 |
0 |
0 |
0.143 |
17 |
|
[UGA]C:502 |
30 |
1 |
677 |
f |
C |
x,y,z |
1_555 |
38 |
13 |
12933 |
304.0 |
-3.1 |
0.702 |
7 |
0 |
0 |
0.143 |
18 |
|
[UGA]A:503 |
29 |
1 |
676 |
f |
A |
x,y,z |
1_555 |
37 |
12 |
12796 |
303.0 |
-2.9 |
0.705 |
7 |
0 |
0 |
0.143 |
19 |
|
[UGA]D:503 |
29 |
1 |
677 |
f |
D |
x,y,z |
1_555 |
40 |
13 |
13139 |
301.9 |
-3.1 |
0.715 |
7 |
0 |
0 |
0.143 |
20 |
|
[UGA]B:503 |
27 |
1 |
669 |
f |
B |
x,y,z |
1_555 |
36 |
12 |
12895 |
296.8 |
-3.2 |
0.688 |
7 |
0 |
0 |
0.143 |
21 |
|
[UGA]F:502 |
27 |
1 |
675 |
f |
F |
x,y,z |
1_555 |
38 |
13 |
12628 |
293.3 |
-3.5 |
0.638 |
9 |
0 |
0 |
0.143 |
| Average: |
300.6 |
-3.2 |
0.687 |
8 |
0 |
0 |
0.143 |
| 7 |
22 |
|
[UDP]D:502 |
23 |
1 |
519 |
f |
D |
x,y,z |
1_555 |
43 |
15 |
13139 |
301.2 |
-2.9 |
0.713 |
8 |
0 |
0 |
0.114 |
23 |
|
[UDP]A:502 |
22 |
1 |
500 |
f |
A |
x,y,z |
1_555 |
40 |
15 |
12796 |
296.4 |
-2.4 |
0.789 |
9 |
0 |
0 |
0.114 |
24 |
|
[UDP]B:502 |
22 |
1 |
504 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
12895 |
294.5 |
-2.6 |
0.755 |
10 |
0 |
0 |
0.114 |
| Average: |
297.4 |
-2.6 |
0.752 |
9 |
0 |
0 |
0.114 |
| 8 |
25 |
|
E |
19 |
6 |
12747 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
21 |
7 |
12628 |
201.4 |
-2.9 |
0.183 |
1 |
0 |
0 |
0.000 |
| 9 |
26 |
|
C |
16 |
3 |
12933 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
4 |
12895 |
184.4 |
-5.4 |
0.014 |
0 |
0 |
0 |
0.000 |
| 10 |
27 |
|
[POP]F:503 |
9 |
1 |
260 |
f |
F |
x,y,z |
1_555 |
22 |
8 |
12628 |
140.6 |
-0.4 |
0.611 |
4 |
0 |
0 |
0.021 |
| 11 |
28 |
|
[UGA]D:503 |
16 |
1 |
677 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
12933 |
128.5 |
0.5 |
0.806 |
4 |
0 |
0 |
0.027 |
29 |
|
[UGA]C:502 |
15 |
1 |
677 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
13139 |
126.8 |
0.4 |
0.786 |
4 |
0 |
0 |
0.027 |
30 |
|
[UGA]B:503 |
15 |
1 |
669 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
12796 |
126.4 |
0.2 |
0.766 |
4 |
0 |
0 |
0.027 |
31 |
|
[UGA]A:503 |
13 |
1 |
676 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
12895 |
126.2 |
0.2 |
0.753 |
4 |
0 |
0 |
0.027 |
32 |
|
[UGA]E:503 |
15 |
1 |
678 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
12628 |
122.8 |
0.3 |
0.781 |
4 |
0 |
0 |
0.027 |
| Average: |
126.1 |
0.3 |
0.779 |
4 |
0 |
0 |
0.027 |
| 12 |
33 |
|
[POP]E:502 |
8 |
1 |
251 |
f |
E |
x,y,z |
1_555 |
21 |
8 |
12747 |
126.6 |
0.9 |
0.731 |
2 |
0 |
0 |
0.000 |
| 13 |
34 |
|
[POP]C:503 |
9 |
1 |
258 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
12933 |
121.2 |
0.8 |
0.694 |
5 |
0 |
0 |
0.013 |
| 14 |
35 |
|
[UGA]F:502 |
16 |
1 |
675 |
◊ |
E |
x,y,z |
1_555 |
16 |
4 |
12747 |
116.8 |
0.2 |
0.740 |
1 |
0 |
0 |
0.002 |
| 15 |
36 |
|
[SO4]D:505 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
13139 |
106.0 |
-13.9 |
0.933 |
6 |
0 |
0 |
0.157 |
| 16 |
37 |
|
[SO4]F:504 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
12628 |
98.4 |
-14.8 |
0.821 |
6 |
0 |
0 |
0.165 |
| 17 |
38 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12895 |
98.0 |
-14.1 |
0.938 |
5 |
0 |
0 |
0.153 |
| 18 |
39 |
|
[SO4]C:504 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
12933 |
95.6 |
-13.6 |
0.907 |
6 |
0 |
0 |
0.153 |
| 19 |
40 |
|
[SO4]A:504 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12796 |
95.4 |
-15.3 |
0.616 |
6 |
0 |
0 |
0.168 |
| 20 |
41 |
|
[SO4]E:504 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
12747 |
93.4 |
-13.6 |
0.900 |
8 |
0 |
0 |
0.162 |
| 21 |
42 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
12933 |
77.6 |
-10.5 |
0.778 |
4 |
0 |
0 |
0.116 |
| 22 |
43 |
|
[SO4]D:504 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
13139 |
75.2 |
-10.5 |
0.724 |
4 |
0 |
0 |
0.116 |
| 23 |
44 |
|
[SO4]D:504 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
12747 |
74.8 |
-10.7 |
0.766 |
4 |
0 |
0 |
0.118 |
| 24 |
45 |
|
[SO4]B:505 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
12895 |
74.1 |
-9.8 |
0.793 |
4 |
0 |
0 |
0.109 |
| 25 |
46 |
|
[SO4]A:505 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
12796 |
73.8 |
-10.8 |
0.780 |
2 |
0 |
0 |
0.109 |
| 26 |
47 |
|
[SO4]A:505 |
5 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
12628 |
72.6 |
-9.7 |
0.785 |
4 |
0 |
0 |
0.107 |
| 27 |
48 |
|
D |
8 |
3 |
13139 |
◊ |
F |
x-1,y,z |
1_455 |
8 |
1 |
12628 |
71.1 |
1.9 |
0.876 |
2 |
5 |
0 |
0.000 |
| 28 |
49 |
|
B |
7 |
4 |
12895 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
2 |
12933 |
48.4 |
-1.1 |
0.282 |
0 |
0 |
0 |
0.000 |
| 29 |
50 |
|
A |
3 |
1 |
12796 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
12628 |
11.2 |
0.3 |
0.783 |
0 |
0 |
0 |
0.000 |
| 30 |
51 |
|
[SO4]E:504 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13139 |
8.9 |
-0.9 |
0.820 |
0 |
0 |
0 |
0.009 |
|