| ## |
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 |
|
E |
330 |
82 |
12507 |
◊ |
C |
x,y,z |
1_555 |
340 |
83 |
12569 |
3162.8 |
-41.0 |
0.024 |
30 |
0 |
0 |
0.973 |
2 |
|
F |
348 |
85 |
12773 |
◊ |
D |
x,y,z |
1_555 |
333 |
80 |
12386 |
3156.4 |
-39.5 |
0.040 |
38 |
0 |
0 |
0.973 |
3 |
|
A |
338 |
83 |
12566 |
◊ |
A |
-x,y,-z+1 |
2_556 |
338 |
83 |
12566 |
3135.5 |
-35.4 |
0.097 |
40 |
0 |
0 |
0.973 |
4 |
|
B |
330 |
82 |
12634 |
◊ |
B |
-x,y,-z+1 |
2_556 |
328 |
82 |
12634 |
3085.2 |
-39.7 |
0.059 |
32 |
0 |
0 |
0.973 |
| Average: |
3135.0 |
-38.9 |
0.055 |
35 |
0 |
0 |
0.973 |
| 2 |
5 |
|
D |
95 |
29 |
12386 |
◊ |
C |
x,y,z |
1_555 |
99 |
28 |
12569 |
865.6 |
-4.3 |
0.563 |
11 |
9 |
0 |
0.202 |
6 |
|
F |
86 |
25 |
12773 |
◊ |
E |
x,y,z |
1_555 |
86 |
28 |
12507 |
805.6 |
-4.0 |
0.554 |
12 |
9 |
0 |
0.202 |
7 |
|
B |
88 |
28 |
12634 |
◊ |
A |
x,y,z |
1_555 |
88 |
25 |
12566 |
802.1 |
-5.5 |
0.499 |
11 |
8 |
0 |
0.202 |
| Average: |
824.4 |
-4.6 |
0.539 |
11 |
9 |
0 |
0.202 |
| 3 |
8 |
|
A |
47 |
14 |
12566 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
45 |
12 |
12386 |
427.7 |
-4.4 |
0.375 |
3 |
0 |
0 |
0.000 |
| 4 |
9 |
|
F |
40 |
11 |
12773 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
37 |
8 |
12569 |
420.4 |
-3.3 |
0.403 |
4 |
4 |
0 |
0.000 |
| 5 |
10 |
|
E |
38 |
10 |
12507 |
◊ |
B |
x,y,z |
1_555 |
42 |
10 |
12634 |
402.7 |
-3.3 |
0.437 |
7 |
3 |
0 |
0.000 |
| 6 |
11 |
|
A |
30 |
8 |
12566 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
30 |
7 |
12773 |
267.6 |
0.3 |
0.725 |
7 |
2 |
0 |
0.000 |
| 7 |
12 |
|
A |
25 |
8 |
12566 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
23 |
8 |
12386 |
218.0 |
-2.1 |
0.427 |
3 |
0 |
0 |
0.000 |
| 8 |
13 |
|
E |
21 |
6 |
12507 |
◊ |
D |
x,y,z |
1_555 |
20 |
6 |
12386 |
191.2 |
-5.2 |
0.044 |
0 |
0 |
0 |
0.045 |
14 |
|
B |
19 |
6 |
12634 |
◊ |
A |
-x,y,-z+1 |
2_556 |
20 |
6 |
12566 |
189.5 |
-5.3 |
0.035 |
0 |
0 |
0 |
0.045 |
15 |
|
F |
21 |
7 |
12773 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
12569 |
185.0 |
-5.1 |
0.038 |
0 |
0 |
0 |
0.045 |
| Average: |
188.6 |
-5.2 |
0.039 |
0 |
0 |
0 |
0.045 |
| 9 |
16 |
|
C |
18 |
5 |
12569 |
◊ |
E |
x,y,z-1 |
1_554 |
22 |
6 |
12507 |
157.4 |
0.2 |
0.702 |
1 |
0 |
0 |
0.000 |
| 10 |
17 |
|
B |
13 |
4 |
12634 |
◊ |
B |
-x,y,-z |
2_555 |
13 |
4 |
12634 |
132.3 |
0.3 |
0.722 |
4 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[BCT]F:1006 |
4 |
1 |
162 |
f |
F |
x,y,z |
1_555 |
21 |
12 |
12773 |
101.1 |
1.0 |
0.613 |
6 |
0 |
0 |
0.027 |
| 12 |
19 |
|
[BCT]B:1002 |
4 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
12634 |
100.4 |
1.0 |
0.827 |
4 |
0 |
0 |
0.100 |
| 13 |
20 |
|
[BCT]D:1004 |
4 |
1 |
163 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
12386 |
100.2 |
1.1 |
0.820 |
5 |
0 |
0 |
0.023 |
21 |
|
[BCT]E:1005 |
4 |
1 |
162 |
f |
E |
x,y,z |
1_555 |
19 |
12 |
12507 |
100.0 |
1.0 |
0.812 |
5 |
0 |
0 |
0.023 |
22 |
|
[BCT]A:1001 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
12566 |
98.9 |
1.1 |
0.823 |
5 |
0 |
0 |
0.023 |
| Average: |
99.7 |
1.1 |
0.819 |
5 |
0 |
0 |
0.023 |
| 14 |
23 |
|
[BCT]C:1003 |
4 |
1 |
162 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
12569 |
98.8 |
1.1 |
0.807 |
4 |
0 |
0 |
0.013 |
| 15 |
24 |
|
[SO4]D:2004 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
12386 |
82.1 |
-9.9 |
0.948 |
5 |
0 |
0 |
0.227 |
| 16 |
25 |
|
[SO4]C:2003 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12569 |
79.4 |
-9.4 |
0.965 |
5 |
0 |
0 |
0.218 |
| 17 |
26 |
|
[SO4]B:2001 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12566 |
78.8 |
-10.3 |
0.924 |
4 |
0 |
0 |
0.236 |
| 18 |
27 |
|
[SO4]B:2002 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12634 |
77.6 |
-9.1 |
0.974 |
4 |
0 |
0 |
0.189 |
| 19 |
28 |
|
[SO4]E:2005 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
12507 |
76.8 |
-9.3 |
0.948 |
7 |
0 |
0 |
0.205 |
| 20 |
29 |
|
[SO4]E:2006 |
5 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
12507 |
76.1 |
-10.4 |
0.801 |
2 |
0 |
0 |
0.188 |
| 21 |
30 |
|
[SO4]E:2005 |
5 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
12773 |
75.8 |
-10.0 |
0.805 |
3 |
0 |
0 |
0.187 |
| 22 |
31 |
|
[SO4]E:2006 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
12773 |
75.0 |
-10.0 |
0.862 |
4 |
0 |
0 |
0.196 |
| 23 |
32 |
|
[SO4]B:2002 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12566 |
74.3 |
-10.2 |
0.778 |
3 |
0 |
0 |
0.224 |
| 24 |
33 |
|
[SO4]D:2004 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
12569 |
65.1 |
-7.9 |
0.873 |
2 |
0 |
0 |
0.164 |
| 25 |
34 |
|
[SO4]C:2003 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
12386 |
64.6 |
-7.7 |
0.878 |
2 |
0 |
0 |
0.160 |
| 26 |
35 |
|
[SO4]B:2001 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12634 |
63.4 |
-8.4 |
0.897 |
2 |
0 |
0 |
0.162 |
| 27 |
36 |
|
C |
9 |
2 |
12569 |
◊ |
B |
-x,y,-z+1 |
2_556 |
9 |
2 |
12634 |
52.7 |
-0.9 |
0.457 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
F |
8 |
4 |
12773 |
x |
F |
x,y,z-1 |
1_554 |
6 |
1 |
12773 |
46.7 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
D |
5 |
2 |
12386 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
12507 |
45.9 |
0.1 |
0.677 |
1 |
0 |
0 |
0.000 |
| 30 |
39 |
|
D |
2 |
1 |
12386 |
x |
D |
x,y,z-1 |
1_554 |
6 |
2 |
12386 |
44.9 |
0.6 |
0.750 |
1 |
0 |
0 |
0.000 |
| 31 |
40 |
|
A |
7 |
3 |
12566 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
12773 |
43.8 |
0.6 |
0.583 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
2 |
1 |
12566 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
12386 |
8.2 |
-0.3 |
0.427 |
0 |
0 |
0 |
0.000 |
| Average: |
26.0 |
0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
A |
4 |
1 |
12566 |
x |
A |
x,y,z-1 |
1_554 |
7 |
2 |
12566 |
40.8 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
F |
3 |
1 |
12773 |
◊ |
E |
x,y,z-1 |
1_554 |
4 |
1 |
12507 |
33.1 |
-0.5 |
0.355 |
0 |
0 |
0 |
0.000 |
|