| ## |
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 |
|
D |
248 |
43 |
5404 |
◊ |
B |
x,y,z |
1_555 |
354 |
89 |
11234 |
2955.4 |
-30.4 |
0.473 |
62 |
7 |
0 |
0.555 |
2 |
|
C |
246 |
43 |
5417 |
◊ |
A |
x,y,z |
1_555 |
348 |
86 |
11086 |
2916.7 |
-32.1 |
0.478 |
61 |
6 |
0 |
0.555 |
| Average: |
2936.0 |
-31.3 |
0.476 |
62 |
7 |
0 |
0.555 |
| 2 |
3 |
|
A |
83 |
24 |
11086 |
◊ |
A |
-x-1,y,-z+1/2 |
4_455 |
83 |
24 |
11086 |
745.2 |
4.1 |
0.948 |
12 |
2 |
0 |
0.000 |
4 |
|
B |
69 |
21 |
11234 |
◊ |
B |
x,-y-1,-z |
3_545 |
69 |
21 |
11234 |
651.0 |
3.6 |
0.900 |
12 |
2 |
0 |
0.000 |
| Average: |
698.1 |
3.9 |
0.924 |
12 |
2 |
0 |
0.000 |
| 3 |
5 |
|
B |
56 |
18 |
11234 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
57 |
18 |
11086 |
589.8 |
-6.4 |
0.268 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
57 |
19 |
11234 |
◊ |
A |
x,y,z |
1_555 |
61 |
17 |
11086 |
561.1 |
-5.7 |
0.344 |
2 |
0 |
0 |
0.000 |
| Average: |
575.5 |
-6.0 |
0.306 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
D |
25 |
8 |
5404 |
◊ |
D |
x,-y-1,-z |
3_545 |
25 |
8 |
5404 |
289.0 |
-0.7 |
0.805 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
20 |
8 |
5417 |
◊ |
C |
-x-1,y,-z+1/2 |
4_455 |
20 |
8 |
5417 |
169.4 |
3.8 |
0.973 |
6 |
0 |
0 |
0.000 |
| Average: |
229.2 |
1.6 |
0.889 |
4 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[1V4]B:1203 |
18 |
1 |
412 |
f |
B |
x,y,z |
1_555 |
52 |
16 |
11234 |
286.1 |
-4.6 |
0.457 |
4 |
0 |
0 |
0.059 |
10 |
|
[1V4]A:1205 |
18 |
1 |
414 |
f |
A |
x,y,z |
1_555 |
50 |
16 |
11086 |
286.1 |
-4.6 |
0.472 |
4 |
0 |
0 |
0.059 |
| Average: |
286.1 |
-4.6 |
0.465 |
4 |
0 |
0 |
0.059 |
| 6 |
11 |
|
[PEG]D:1202 |
7 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
11234 |
159.6 |
3.4 |
0.404 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
D |
16 |
7 |
5404 |
◊ |
B |
x,-y-1,-z |
3_545 |
14 |
6 |
11234 |
150.9 |
-1.9 |
0.331 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
12 |
6 |
5417 |
◊ |
A |
-x-1,y,-z+1/2 |
4_455 |
17 |
4 |
11086 |
142.1 |
-2.5 |
0.322 |
0 |
0 |
0 |
0.000 |
| Average: |
146.5 |
-2.2 |
0.326 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[PEG]A:1203 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
11086 |
146.6 |
2.8 |
0.381 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[SO4]B:1202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11234 |
111.1 |
-16.9 |
0.686 |
5 |
0 |
0 |
0.179 |
| 10 |
16 |
|
[SO4]A:1201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11086 |
99.9 |
-15.2 |
0.857 |
5 |
0 |
0 |
0.161 |
| 11 |
17 |
|
B |
11 |
5 |
11234 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
7 |
3 |
5417 |
85.4 |
-0.9 |
0.477 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
6 |
3 |
5404 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11086 |
75.3 |
-1.0 |
0.443 |
0 |
0 |
0 |
0.000 |
| Average: |
80.3 |
-1.0 |
0.460 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[SO4]A:1202 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
11086 |
75.4 |
-8.8 |
0.939 |
3 |
0 |
0 |
0.094 |
| 13 |
20 |
|
[GOL]C:1201 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
5417 |
74.3 |
-0.2 |
0.582 |
2 |
0 |
0 |
0.100 |
| 14 |
21 |
|
[GOL]C:1201 |
6 |
1 |
219 |
◊ |
C |
-x-1,y,-z+1/2 |
4_455 |
15 |
6 |
5417 |
73.8 |
0.3 |
0.720 |
3 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[SO4]D:1201 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11234 |
71.9 |
-7.9 |
0.910 |
2 |
0 |
0 |
0.082 |
| 16 |
23 |
|
[SO4]D:1201 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
5404 |
68.3 |
-10.1 |
0.822 |
2 |
0 |
0 |
0.103 |
| 17 |
24 |
|
A |
7 |
2 |
11086 |
◊ |
A |
x,-y,-z |
3_555 |
7 |
2 |
11086 |
66.9 |
0.5 |
0.762 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[GOL]C:1201 |
6 |
1 |
219 |
◊ |
[GOL]C:1201 |
-x-1,y,-z+1/2 |
4_455 |
6 |
1 |
219 |
63.8 |
-0.2 |
0.507 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[SO4]A:1202 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
5417 |
63.8 |
-9.1 |
0.804 |
1 |
0 |
0 |
0.088 |
| 20 |
27 |
|
C |
3 |
1 |
5417 |
◊ |
B |
-x-1,y,-z+1/2 |
4_455 |
8 |
3 |
11234 |
62.2 |
-1.6 |
0.202 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
3 |
1 |
5404 |
◊ |
A |
x-1/2,-y-1/2,-z |
7_445 |
6 |
2 |
11086 |
55.7 |
-1.7 |
0.179 |
0 |
0 |
0 |
0.000 |
| Average: |
59.0 |
-1.6 |
0.191 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[PEG]D:1202 |
6 |
1 |
263 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
5404 |
57.0 |
1.2 |
0.274 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[PEG]A:1203 |
5 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
5417 |
55.0 |
1.6 |
0.343 |
1 |
0 |
0 |
0.000 |
| 23 |
31 |
|
C |
2 |
1 |
5417 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11234 |
51.5 |
-0.4 |
0.284 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
2 |
1 |
5404 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
6 |
2 |
11086 |
33.0 |
-0.4 |
0.402 |
0 |
0 |
0 |
0.000 |
| Average: |
42.3 |
-0.4 |
0.343 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[1V4]A:1205 |
3 |
1 |
414 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
5417 |
44.7 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
34 |
|
[1V4]B:1203 |
3 |
1 |
412 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
5404 |
40.3 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
| Average: |
42.5 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
B |
4 |
1 |
11234 |
◊ |
B |
-x-1,y,-z+1/2 |
4_455 |
4 |
1 |
11234 |
40.8 |
-0.9 |
0.293 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
B |
2 |
1 |
11234 |
◊ |
A |
-x-1,y,-z+1/2 |
4_455 |
3 |
1 |
11086 |
33.8 |
1.3 |
0.878 |
1 |
2 |
0 |
0.000 |
| 27 |
37 |
|
[SO4]A:1201 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
5417 |
33.5 |
-3.9 |
0.863 |
0 |
0 |
0 |
0.036 |
| 28 |
38 |
|
B |
4 |
1 |
11234 |
◊ |
A |
x-1/2,-y-1/2,-z |
7_445 |
3 |
2 |
11086 |
29.2 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[SO4]B:1202 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5404 |
24.9 |
-2.9 |
0.841 |
0 |
0 |
0 |
0.027 |
| 30 |
40 |
|
[SO4]A:1201 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11234 |
11.8 |
-1.2 |
0.825 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[SO4]B:1202 |
1 |
1 |
185 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
3 |
3 |
11086 |
8.9 |
-1.0 |
0.758 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[PEG]A:1203 |
1 |
1 |
261 |
f |
A |
-x-1,y,-z+1/2 |
4_455 |
2 |
1 |
11086 |
6.4 |
0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[PEG]D:1202 |
1 |
1 |
263 |
f |
B |
x,-y-1,-z |
3_545 |
2 |
1 |
11234 |
2.6 |
0.1 |
0.419 |
0 |
0 |
0 |
0.000 |
|