| ## |
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 |
134 |
12 |
3051 |
◊ |
D |
x,y,z |
1_555 |
142 |
46 |
27835 |
1216.4 |
-6.5 |
0.479 |
13 |
0 |
0 |
0.208 |
| 2 |
2 |
|
C |
133 |
11 |
2892 |
◊ |
A |
x,y,z |
1_555 |
134 |
43 |
27485 |
1166.0 |
-7.9 |
0.457 |
13 |
0 |
0 |
0.254 |
| 3 |
3 |
|
D |
96 |
25 |
27835 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
107 |
28 |
27835 |
867.5 |
0.9 |
0.565 |
3 |
6 |
0 |
0.000 |
| 4 |
4 |
|
D |
97 |
24 |
27835 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
100 |
23 |
27485 |
866.1 |
-4.8 |
0.252 |
3 |
1 |
0 |
0.054 |
| 5 |
5 |
|
D |
83 |
25 |
27835 |
◊ |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
79 |
23 |
27485 |
714.9 |
-4.2 |
0.251 |
1 |
2 |
0 |
0.051 |
| 6 |
6 |
|
B |
65 |
6 |
1907 |
◊ |
A |
x,y,z |
1_555 |
81 |
26 |
27485 |
649.1 |
-10.2 |
0.268 |
7 |
0 |
0 |
0.344 |
7 |
|
E |
67 |
6 |
1892 |
◊ |
D |
x,y,z |
1_555 |
76 |
25 |
27835 |
644.6 |
-10.5 |
0.274 |
7 |
0 |
0 |
0.344 |
| Average: |
646.8 |
-10.4 |
0.271 |
7 |
0 |
0 |
0.344 |
| 7 |
8 |
|
D |
73 |
21 |
27835 |
◊ |
A |
x,y,z |
1_555 |
71 |
18 |
27485 |
607.7 |
1.3 |
0.634 |
3 |
1 |
0 |
0.000 |
| 8 |
9 |
|
A |
60 |
15 |
27485 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
61 |
19 |
27835 |
599.0 |
-0.6 |
0.380 |
2 |
0 |
0 |
0.014 |
| 9 |
10 |
|
F |
38 |
9 |
3051 |
◊ |
E |
x,y,z |
1_555 |
41 |
8 |
1892 |
364.5 |
-4.9 |
0.572 |
13 |
0 |
0 |
1.000 |
| 10 |
11 |
|
C |
38 |
9 |
2892 |
◊ |
B |
x,y,z |
1_555 |
38 |
8 |
1907 |
362.6 |
-4.9 |
0.566 |
13 |
0 |
0 |
0.301 |
| 11 |
12 |
|
[CTP]D:901 |
27 |
1 |
560 |
f |
D |
x,y,z |
1_555 |
51 |
20 |
27835 |
323.0 |
-4.3 |
0.399 |
6 |
0 |
0 |
0.128 |
| 12 |
13 |
|
A |
40 |
12 |
27485 |
x |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
37 |
10 |
27485 |
303.6 |
0.1 |
0.539 |
1 |
2 |
0 |
0.000 |
| 13 |
14 |
|
D |
22 |
11 |
27835 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
9 |
27485 |
234.2 |
4.4 |
0.909 |
1 |
2 |
0 |
0.000 |
| 14 |
15 |
|
[CTP]A:901 |
21 |
1 |
446 |
f |
A |
x,y,z |
1_555 |
37 |
9 |
27485 |
231.4 |
0.5 |
0.626 |
3 |
0 |
0 |
0.021 |
| 15 |
16 |
|
[DOC]B:29 |
16 |
1 |
421 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
27485 |
201.2 |
2.4 |
0.506 |
2 |
0 |
0 |
0.000 |
17 |
|
[DOC]E:29 |
14 |
1 |
417 |
◊ |
D |
x,y,z |
1_555 |
21 |
10 |
27835 |
168.1 |
2.2 |
0.531 |
2 |
0 |
0 |
0.000 |
| Average: |
184.7 |
2.3 |
0.519 |
2 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[MES]A:905 |
12 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
23 |
11 |
27485 |
182.0 |
4.2 |
0.149 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[MPD]A:904 |
7 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
27485 |
174.4 |
-10.1 |
0.723 |
0 |
0 |
0 |
0.260 |
| 18 |
20 |
|
B |
18 |
3 |
1907 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
20 |
3 |
1892 |
151.5 |
-1.1 |
0.630 |
0 |
0 |
0 |
0.010 |
| 19 |
21 |
|
[MPD]D:905 |
6 |
1 |
278 |
f |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
22 |
8 |
27485 |
139.6 |
-9.5 |
0.442 |
0 |
0 |
0 |
0.245 |
| 20 |
22 |
|
[MPD]D:904 |
7 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
27835 |
136.9 |
-8.7 |
0.568 |
0 |
0 |
0 |
0.159 |
| 21 |
23 |
|
[MPD]A:903 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
27485 |
131.5 |
-8.5 |
0.571 |
0 |
0 |
0 |
0.218 |
| 22 |
24 |
|
D |
18 |
7 |
27835 |
◊ |
[MPD]A:903 |
-x+5/2,-y-1,z-1/2 |
2_744 |
7 |
1 |
281 |
99.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.063 |
| 23 |
25 |
|
A |
11 |
5 |
27485 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
4 |
27485 |
98.6 |
0.6 |
0.571 |
0 |
2 |
0 |
0.000 |
26 |
|
D |
9 |
4 |
27835 |
x |
D |
-x+3,y-1/2,-z-1/2 |
3_844 |
11 |
3 |
27835 |
74.2 |
-0.6 |
0.434 |
0 |
1 |
0 |
0.000 |
| Average: |
86.4 |
-0.0 |
0.503 |
0 |
2 |
0 |
0.000 |
| 24 |
27 |
|
C |
13 |
1 |
2892 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
12 |
1 |
3051 |
95.0 |
1.3 |
0.737 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[MPD]D:904 |
7 |
1 |
278 |
◊ |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
14 |
5 |
27485 |
94.4 |
-5.5 |
0.591 |
1 |
0 |
0 |
0.062 |
| 26 |
29 |
|
[DOC]B:29 |
13 |
1 |
421 |
cf |
B |
x,y,z |
1_555 |
13 |
1 |
1907 |
92.2 |
1.9 |
0.515 |
0 |
0 |
0 |
0.000 |
30 |
|
[DOC]E:29 |
13 |
1 |
417 |
cf |
E |
x,y,z |
1_555 |
13 |
1 |
1892 |
90.3 |
1.8 |
0.515 |
0 |
0 |
0 |
0.000 |
| Average: |
91.2 |
1.9 |
0.515 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[DOC]E:29 |
12 |
1 |
417 |
◊ |
[CTP]D:901 |
x,y,z |
1_555 |
15 |
1 |
560 |
87.0 |
2.7 |
0.613 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[CTP]D:901 |
10 |
1 |
560 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
3051 |
85.5 |
0.8 |
0.662 |
2 |
0 |
0 |
0.001 |
| 29 |
33 |
|
[SO4]A:902 |
5 |
1 |
185 |
f |
D |
x-1/2,-y-1/2,-z |
4_445 |
11 |
6 |
27835 |
80.1 |
-11.5 |
0.585 |
0 |
0 |
0 |
0.210 |
| 30 |
34 |
|
[SO4]A:902 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
27485 |
75.9 |
-9.4 |
0.866 |
3 |
0 |
0 |
0.100 |
| 31 |
35 |
|
[MPD]D:905 |
5 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
27835 |
73.3 |
-4.2 |
0.682 |
0 |
0 |
0 |
0.044 |
| 32 |
36 |
|
[DOC]B:29 |
9 |
1 |
421 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
2892 |
72.8 |
1.1 |
0.503 |
2 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[DOC]E:29 |
10 |
1 |
417 |
◊ |
F |
x,y,z |
1_555 |
11 |
2 |
3051 |
71.7 |
0.7 |
0.461 |
2 |
0 |
0 |
0.018 |
| 34 |
38 |
|
[SO4]D:903 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
27835 |
69.0 |
-9.0 |
0.860 |
2 |
0 |
0 |
0.181 |
| 35 |
39 |
|
C |
7 |
1 |
2892 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
8 |
2 |
1892 |
55.2 |
0.4 |
0.629 |
1 |
0 |
0 |
0.000 |
| 36 |
40 |
|
[DOC]B:29 |
9 |
1 |
421 |
◊ |
[MES]A:905 |
x,y,z |
1_555 |
6 |
1 |
333 |
55.1 |
3.2 |
0.193 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[MES]A:905 |
7 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
9 |
1 |
2892 |
49.0 |
1.8 |
0.047 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
B |
5 |
1 |
1907 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
3051 |
45.7 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
D |
2 |
1 |
27835 |
◊ |
[SO4]D:903 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
183 |
41.5 |
-3.6 |
0.981 |
2 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[MG]D:902 |
1 |
1 |
98 |
f |
[CTP]D:901 |
x,y,z |
1_555 |
4 |
1 |
560 |
36.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.106 |
| 41 |
45 |
|
A |
3 |
2 |
27485 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
1892 |
36.2 |
-0.5 |
0.460 |
0 |
0 |
0 |
0.008 |
46 |
|
B |
2 |
1 |
1907 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
27835 |
32.5 |
-0.4 |
0.435 |
0 |
0 |
0 |
0.008 |
| Average: |
34.4 |
-0.4 |
0.447 |
0 |
0 |
0 |
0.008 |
| 42 |
47 |
|
[MG]D:902 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
27835 |
33.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.068 |
| 43 |
48 |
|
D |
2 |
2 |
27835 |
◊ |
C |
-x+5/2,-y,z-1/2 |
2_754 |
2 |
1 |
2892 |
7.9 |
-0.3 |
0.440 |
0 |
0 |
0 |
0.003 |
| 44 |
49 |
|
[DOC]E:29 |
1 |
1 |
417 |
◊ |
[MG]D:902 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 45 |
50 |
|
F |
1 |
1 |
3051 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
1 |
1 |
27485 |
4.3 |
-0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
|