| ## |
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 |
190 |
49 |
21116 |
◊ |
A |
x,y,z |
1_555 |
165 |
40 |
5457 |
1848.6 |
-21.3 |
0.131 |
19 |
1 |
0 |
0.318 |
2 |
|
F |
188 |
50 |
21080 |
◊ |
E |
x,y,z |
1_555 |
164 |
37 |
5311 |
1822.5 |
-22.2 |
0.115 |
20 |
2 |
0 |
0.318 |
3 |
|
H |
187 |
48 |
21160 |
◊ |
G |
x,y,z |
1_555 |
165 |
38 |
5495 |
1812.0 |
-22.8 |
0.094 |
21 |
1 |
0 |
0.318 |
4 |
|
D |
189 |
49 |
21040 |
◊ |
C |
x,y,z |
1_555 |
160 |
38 |
5489 |
1799.5 |
-19.0 |
0.155 |
19 |
2 |
0 |
0.318 |
| Average: |
1820.6 |
-21.3 |
0.124 |
20 |
2 |
0 |
0.318 |
| 2 |
5 |
|
[EPZ]B:501 |
42 |
1 |
795 |
f |
B |
x,y,z |
1_555 |
75 |
33 |
21116 |
618.2 |
-6.1 |
0.366 |
16 |
0 |
0 |
0.182 |
6 |
|
[EPZ]H:501 |
42 |
1 |
798 |
f |
H |
x,y,z |
1_555 |
74 |
32 |
21160 |
612.7 |
-5.9 |
0.360 |
16 |
0 |
0 |
0.182 |
7 |
|
[EPZ]F:501 |
42 |
1 |
799 |
f |
F |
x,y,z |
1_555 |
78 |
33 |
21080 |
607.7 |
-6.3 |
0.360 |
17 |
0 |
0 |
0.182 |
8 |
|
[EPZ]D:501 |
43 |
1 |
800 |
f |
D |
x,y,z |
1_555 |
76 |
33 |
21040 |
607.5 |
-6.8 |
0.335 |
14 |
0 |
0 |
0.182 |
| Average: |
611.5 |
-6.3 |
0.356 |
16 |
0 |
0 |
0.182 |
| 3 |
9 |
|
D |
49 |
16 |
21040 |
◊ |
B |
x,y,z |
1_555 |
51 |
16 |
21116 |
496.1 |
-4.4 |
0.187 |
4 |
0 |
0 |
0.000 |
10 |
|
H |
48 |
15 |
21160 |
◊ |
F |
x,y,z |
1_555 |
48 |
16 |
21080 |
492.6 |
-4.7 |
0.164 |
4 |
0 |
0 |
0.000 |
| Average: |
494.4 |
-4.5 |
0.175 |
4 |
0 |
0 |
0.000 |
| 4 |
11 |
|
H |
59 |
13 |
21160 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
49 |
13 |
21080 |
447.1 |
0.1 |
0.512 |
4 |
1 |
0 |
0.000 |
12 |
|
B |
52 |
13 |
21116 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
46 |
12 |
21040 |
427.6 |
0.1 |
0.529 |
3 |
0 |
0 |
0.000 |
13 |
|
H |
44 |
13 |
21160 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
12 |
21080 |
333.6 |
-1.2 |
0.425 |
2 |
0 |
0 |
0.000 |
14 |
|
B |
42 |
12 |
21116 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
42 |
12 |
21040 |
316.9 |
-1.5 |
0.391 |
2 |
0 |
0 |
0.000 |
| Average: |
381.3 |
-0.6 |
0.464 |
3 |
0 |
0 |
0.000 |
| 5 |
15 |
|
D |
43 |
14 |
21040 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
14 |
21116 |
417.5 |
-2.3 |
0.320 |
8 |
0 |
0 |
0.046 |
16 |
|
H |
43 |
13 |
21160 |
◊ |
F |
x-1,y,z |
1_455 |
42 |
14 |
21080 |
402.6 |
-4.1 |
0.179 |
6 |
0 |
0 |
0.046 |
| Average: |
410.1 |
-3.2 |
0.250 |
7 |
0 |
0 |
0.046 |
| 6 |
17 |
|
E |
34 |
6 |
5311 |
◊ |
C |
x,y,z |
1_555 |
26 |
7 |
5489 |
239.4 |
1.0 |
0.780 |
4 |
2 |
0 |
0.000 |
| 7 |
18 |
|
G |
27 |
7 |
5495 |
◊ |
A |
x,y,z |
1_555 |
36 |
9 |
5457 |
235.3 |
1.6 |
0.812 |
2 |
3 |
0 |
0.000 |
| 8 |
19 |
|
A |
26 |
8 |
5457 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
24 |
10 |
21116 |
228.6 |
-2.3 |
0.373 |
2 |
1 |
0 |
0.000 |
20 |
|
F |
22 |
10 |
21080 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
6 |
5311 |
206.0 |
-3.4 |
0.222 |
1 |
0 |
0 |
0.000 |
21 |
|
D |
22 |
10 |
21040 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
23 |
6 |
5489 |
205.6 |
-3.5 |
0.214 |
1 |
0 |
0 |
0.000 |
22 |
|
G |
21 |
6 |
5495 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
20 |
9 |
21160 |
201.3 |
-3.5 |
0.188 |
1 |
0 |
0 |
0.000 |
| Average: |
210.4 |
-3.2 |
0.249 |
1 |
0 |
0 |
0.000 |
| 9 |
23 |
|
H |
22 |
6 |
21160 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
5457 |
220.3 |
0.9 |
0.709 |
2 |
2 |
0 |
0.000 |
| 10 |
24 |
|
D |
16 |
5 |
21040 |
◊ |
E |
x,y,z |
1_555 |
29 |
9 |
5311 |
214.8 |
-1.6 |
0.268 |
3 |
3 |
0 |
0.000 |
| 11 |
25 |
|
F |
18 |
6 |
21080 |
x |
F |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
6 |
21080 |
173.7 |
2.0 |
0.772 |
3 |
1 |
0 |
0.000 |
26 |
|
D |
18 |
6 |
21040 |
x |
D |
-x,y-1/2,-z |
2_545 |
16 |
6 |
21040 |
165.6 |
2.0 |
0.779 |
3 |
1 |
0 |
0.000 |
27 |
|
H |
17 |
6 |
21160 |
x |
H |
-x,y-1/2,-z+1 |
2_546 |
19 |
6 |
21160 |
148.1 |
1.7 |
0.742 |
5 |
1 |
0 |
0.000 |
28 |
|
B |
15 |
5 |
21116 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
6 |
21116 |
141.9 |
1.3 |
0.688 |
3 |
1 |
0 |
0.000 |
| Average: |
157.3 |
1.8 |
0.745 |
4 |
1 |
0 |
0.000 |
| 12 |
29 |
|
[FLC]D:504 |
12 |
1 |
315 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
21040 |
162.9 |
0.5 |
0.420 |
5 |
0 |
0 |
0.018 |
| 13 |
30 |
|
[FLC]F:504 |
11 |
1 |
319 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
21080 |
149.8 |
0.5 |
0.464 |
4 |
0 |
0 |
0.013 |
| 14 |
31 |
|
[SO4]H:503 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
17 |
9 |
21160 |
122.6 |
-16.2 |
0.757 |
6 |
0 |
0 |
0.182 |
| 15 |
32 |
|
[SO4]D:503 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
21040 |
122.2 |
-15.8 |
0.762 |
4 |
0 |
0 |
0.185 |
| 16 |
33 |
|
[SO4]B:503 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
21116 |
120.6 |
-15.2 |
0.750 |
5 |
0 |
0 |
0.172 |
| 17 |
34 |
|
[SO4]F:503 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
21080 |
119.2 |
-15.7 |
0.771 |
5 |
0 |
0 |
0.182 |
| 18 |
35 |
|
[SO4]F:502 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
21080 |
106.0 |
-17.0 |
0.760 |
10 |
0 |
0 |
0.217 |
| 19 |
36 |
|
[SO4]B:502 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
21116 |
103.9 |
-17.0 |
0.736 |
12 |
0 |
0 |
0.220 |
| 20 |
37 |
|
[SO4]D:502 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
21040 |
102.9 |
-17.1 |
0.724 |
12 |
0 |
0 |
0.235 |
| 21 |
38 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
21116 |
102.5 |
-13.3 |
0.873 |
4 |
0 |
0 |
0.148 |
| 22 |
39 |
|
[SO4]H:502 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
17 |
8 |
21160 |
101.5 |
-17.0 |
0.741 |
10 |
0 |
0 |
0.207 |
| 23 |
40 |
|
[SO4]H:504 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
18 |
7 |
21160 |
100.4 |
-12.9 |
0.861 |
4 |
0 |
0 |
0.141 |
| 24 |
41 |
|
H |
9 |
3 |
21160 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
21116 |
93.4 |
-1.8 |
0.140 |
2 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[SO4]H:505 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
21160 |
61.9 |
-8.5 |
0.664 |
2 |
0 |
0 |
0.064 |
| 26 |
43 |
|
D |
7 |
3 |
21040 |
f |
[SO4]B:505 |
x-1,y,z |
1_455 |
5 |
1 |
187 |
61.2 |
-8.6 |
0.642 |
2 |
0 |
0 |
0.100 |
| 27 |
44 |
|
[SO4]H:505 |
5 |
1 |
186 |
f |
F |
x-1,y,z |
1_455 |
7 |
3 |
21080 |
59.5 |
-8.5 |
0.623 |
2 |
0 |
0 |
0.096 |
| 28 |
45 |
|
[SO4]B:505 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
21116 |
59.4 |
-8.2 |
0.654 |
2 |
0 |
0 |
0.062 |
| 29 |
46 |
|
B |
5 |
2 |
21116 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
4 |
1 |
5489 |
40.1 |
0.5 |
0.720 |
1 |
1 |
0 |
0.000 |
47 |
|
H |
5 |
2 |
21160 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
5311 |
39.6 |
0.5 |
0.683 |
1 |
1 |
0 |
0.000 |
48 |
|
A |
4 |
1 |
5457 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
21040 |
35.6 |
0.7 |
0.769 |
1 |
1 |
0 |
0.000 |
49 |
|
G |
3 |
1 |
5495 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
21080 |
35.2 |
0.5 |
0.741 |
1 |
1 |
0 |
0.000 |
| Average: |
37.6 |
0.6 |
0.728 |
1 |
1 |
0 |
0.000 |
| 30 |
50 |
|
[SO4]D:502 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5489 |
30.9 |
-2.9 |
0.870 |
1 |
0 |
0 |
0.036 |
| 31 |
51 |
|
[SO4]H:502 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
5495 |
30.7 |
-2.9 |
0.875 |
1 |
0 |
0 |
0.032 |
| 32 |
52 |
|
[SO4]F:502 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
5311 |
29.6 |
-2.8 |
0.877 |
1 |
0 |
0 |
0.033 |
| 33 |
53 |
|
[SO4]B:502 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5457 |
28.6 |
-2.8 |
0.874 |
2 |
0 |
0 |
0.036 |
| 34 |
54 |
|
F |
2 |
1 |
21080 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
21040 |
19.7 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
|