## |
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 |
|
A |
92 |
23 |
11958 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
94 |
23 |
11958 |
774.0 |
-0.1 |
0.695 |
6 |
0 |
0 |
0.004 |
2 |
|
C |
90 |
24 |
11993 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
93 |
24 |
11977 |
745.4 |
1.2 |
0.774 |
7 |
0 |
0 |
0.004 |
3 |
|
D |
90 |
24 |
11960 |
◊ |
D |
-x,y,-z+2 |
2_557 |
89 |
24 |
11960 |
708.5 |
1.3 |
0.768 |
6 |
0 |
0 |
0.004 |
Average: |
742.6 |
0.8 |
0.746 |
6 |
0 |
0 |
0.004 |
2 |
4 |
|
C |
47 |
12 |
11993 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
51 |
14 |
11958 |
425.3 |
-2.7 |
0.363 |
6 |
0 |
0 |
0.000 |
5 |
|
C |
50 |
15 |
11993 |
◊ |
D |
x,y,z-1 |
1_554 |
48 |
13 |
11960 |
424.3 |
-3.0 |
0.342 |
5 |
0 |
0 |
0.000 |
6 |
|
D |
50 |
14 |
11960 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
47 |
12 |
11977 |
417.5 |
-2.7 |
0.362 |
6 |
0 |
0 |
0.000 |
7 |
|
A |
48 |
13 |
11958 |
◊ |
B |
x,y-1,z |
1_545 |
53 |
15 |
11977 |
410.5 |
-2.3 |
0.372 |
6 |
0 |
0 |
0.000 |
Average: |
419.4 |
-2.7 |
0.360 |
6 |
0 |
0 |
0.000 |
3 |
8 |
|
A |
25 |
7 |
11958 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
32 |
10 |
11977 |
202.6 |
1.5 |
0.739 |
2 |
0 |
0 |
0.000 |
4 |
9 |
|
[EPE]A:901 |
14 |
1 |
406 |
f |
B |
x,y-1,z |
1_545 |
26 |
8 |
11977 |
170.7 |
2.9 |
0.025 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
B |
19 |
7 |
11977 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
25 |
9 |
11993 |
167.3 |
1.1 |
0.719 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
A |
19 |
6 |
11958 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
5 |
11960 |
165.2 |
-1.9 |
0.306 |
2 |
0 |
0 |
0.000 |
7 |
12 |
|
[NAG]A:601 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
24 |
5 |
11958 |
144.7 |
3.5 |
0.379 |
0 |
0 |
0 |
0.000 |
13 |
|
[NAG]C:601 |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
26 |
5 |
11993 |
142.4 |
3.6 |
0.411 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]B:601 |
12 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
25 |
5 |
11977 |
139.6 |
3.6 |
0.436 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]D:601 |
9 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
19 |
5 |
11960 |
115.2 |
3.5 |
0.512 |
0 |
0 |
0 |
0.000 |
Average: |
135.5 |
3.5 |
0.434 |
0 |
0 |
0 |
0.000 |
8 |
16 |
|
[EPE]A:901 |
14 |
1 |
406 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
11958 |
143.0 |
3.9 |
0.041 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
[PEG]A:801 |
7 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
11958 |
129.8 |
3.5 |
0.426 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
[PEG]A:806 |
6 |
1 |
266 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
11958 |
122.7 |
2.0 |
0.272 |
3 |
0 |
0 |
0.000 |
11 |
19 |
|
[PEG]B:806 |
6 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
11977 |
122.2 |
2.0 |
0.264 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
[PEG]B:801 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
11977 |
117.3 |
2.4 |
0.268 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[PEG]A:802 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
11958 |
112.3 |
2.5 |
0.321 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[PEG]C:802 |
7 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
11993 |
111.7 |
2.7 |
0.325 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[PEG]D:802 |
7 |
1 |
264 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
11960 |
106.9 |
2.9 |
0.318 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[PEG]D:806 |
6 |
1 |
264 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
11960 |
102.4 |
1.0 |
0.215 |
2 |
0 |
0 |
0.000 |
17 |
25 |
|
[SO4]A:702 |
5 |
1 |
184 |
f |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
6 |
11977 |
96.8 |
-12.9 |
0.897 |
4 |
0 |
0 |
0.048 |
18 |
26 |
|
[SO4]D:701 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11960 |
93.1 |
-13.0 |
0.889 |
4 |
0 |
0 |
0.045 |
19 |
27 |
|
[SO4]A:701 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11958 |
92.8 |
-12.6 |
0.901 |
4 |
0 |
0 |
0.048 |
20 |
28 |
|
[PEG]A:805 |
6 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11958 |
92.5 |
1.7 |
0.253 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[PEG]D:805 |
6 |
1 |
264 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
11960 |
92.5 |
2.3 |
0.344 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
D |
15 |
4 |
11960 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
11993 |
90.8 |
-0.7 |
0.451 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
[PEG]C:805 |
6 |
1 |
264 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11993 |
90.2 |
2.1 |
0.315 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[PEG]B:802 |
6 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11977 |
89.8 |
1.5 |
0.259 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[SO4]A:704 |
5 |
1 |
184 |
f |
A |
-x+1,y,-z+1 |
2_656 |
13 |
5 |
11958 |
83.9 |
-12.4 |
0.723 |
4 |
0 |
0 |
0.047 |
26 |
34 |
|
[PEG]B:805 |
5 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
11977 |
83.9 |
1.2 |
0.262 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
[SO4]B:705 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11977 |
81.2 |
-11.9 |
0.739 |
5 |
0 |
0 |
0.046 |
28 |
36 |
|
[SO4]C:705 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
11993 |
78.2 |
-11.3 |
0.782 |
4 |
0 |
0 |
0.080 |
29 |
37 |
|
[SO4]D:705 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11960 |
76.6 |
-11.1 |
0.756 |
4 |
0 |
0 |
0.039 |
30 |
38 |
|
B |
9 |
4 |
11977 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
12 |
6 |
11958 |
72.2 |
0.7 |
0.700 |
1 |
1 |
0 |
0.000 |
31 |
39 |
|
[SO4]C:703 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
11993 |
59.2 |
-7.0 |
0.920 |
3 |
0 |
0 |
0.052 |
40 |
|
[SO4]B:703 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11977 |
57.9 |
-6.8 |
0.919 |
3 |
0 |
0 |
0.052 |
Average: |
58.5 |
-6.9 |
0.920 |
3 |
0 |
0 |
0.052 |
32 |
41 |
|
[SO4]D:703 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11960 |
58.7 |
-6.8 |
0.920 |
4 |
0 |
0 |
0.026 |
33 |
42 |
|
[SO4]A:703 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11958 |
57.6 |
-6.6 |
0.924 |
3 |
0 |
0 |
0.026 |
34 |
43 |
|
A |
6 |
2 |
11958 |
◊ |
[PEG]D:802 |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
264 |
50.8 |
1.5 |
0.262 |
1 |
0 |
0 |
0.000 |
35 |
44 |
|
[SO4]D:705 |
4 |
1 |
183 |
◊ |
D |
-x,y,-z+2 |
2_557 |
5 |
2 |
11960 |
49.0 |
-5.1 |
0.934 |
1 |
0 |
0 |
0.000 |
36 |
45 |
|
[PEG]B:802 |
7 |
1 |
262 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
11977 |
48.1 |
2.3 |
0.229 |
1 |
0 |
0 |
0.000 |
37 |
46 |
|
[PEG]C:802 |
4 |
1 |
262 |
f |
[PEG]C:802 |
-x,y,-z |
2_555 |
4 |
1 |
262 |
48.0 |
0.1 |
0.070 |
1 |
0 |
0 |
0.086 |
38 |
47 |
|
A |
6 |
3 |
11958 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
6 |
2 |
11977 |
45.7 |
-0.7 |
0.343 |
0 |
0 |
0 |
0.000 |
48 |
|
D |
3 |
2 |
11960 |
◊ |
C |
-x,y,-z+1 |
2_556 |
4 |
2 |
11993 |
29.5 |
-0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
Average: |
37.6 |
-0.6 |
0.326 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
A |
8 |
2 |
11958 |
◊ |
[PEG]B:805 |
x,y-1,z |
1_545 |
4 |
1 |
263 |
43.6 |
1.2 |
0.316 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[SO4]C:705 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
11977 |
43.3 |
-4.6 |
0.921 |
1 |
0 |
0 |
0.000 |
41 |
51 |
|
[PEG]C:805 |
3 |
1 |
264 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
2 |
11960 |
43.1 |
0.9 |
0.370 |
0 |
0 |
0 |
0.000 |
52 |
|
[PEG]D:805 |
3 |
1 |
264 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
5 |
2 |
11977 |
40.2 |
0.9 |
0.354 |
0 |
0 |
0 |
0.000 |
Average: |
41.7 |
0.9 |
0.362 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[SO4]A:704 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11958 |
39.3 |
-4.5 |
0.940 |
1 |
0 |
0 |
0.014 |
43 |
54 |
|
[PEG]A:802 |
4 |
1 |
263 |
f |
[PEG]D:802 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
264 |
39.0 |
0.2 |
0.070 |
1 |
0 |
0 |
0.001 |
44 |
55 |
|
[PEG]B:802 |
6 |
1 |
262 |
f |
[PEG]B:802 |
-x+1,y,-z+1 |
2_656 |
6 |
1 |
262 |
37.7 |
0.2 |
0.033 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
C |
5 |
2 |
11993 |
◊ |
[SO4]B:705 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
184 |
37.5 |
-4.0 |
0.918 |
1 |
0 |
0 |
0.000 |
46 |
57 |
|
[PEG]A:802 |
5 |
1 |
263 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
11960 |
37.4 |
1.8 |
0.336 |
1 |
0 |
0 |
0.000 |
47 |
58 |
|
[PEG]C:802 |
6 |
1 |
262 |
◊ |
C |
-x,y,-z |
2_555 |
3 |
1 |
11993 |
36.2 |
1.7 |
0.270 |
0 |
0 |
0 |
0.000 |
48 |
59 |
|
C |
8 |
2 |
11993 |
f |
[PEG]A:805 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
264 |
34.2 |
1.0 |
0.379 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
[PEG]B:805 |
1 |
1 |
263 |
f |
[PEG]B:802 |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
262 |
23.1 |
-0.3 |
0.171 |
1 |
0 |
0 |
0.071 |
50 |
61 |
|
[PEG]A:805 |
3 |
1 |
264 |
f |
[PEG]A:802 |
x,y,z |
1_555 |
4 |
1 |
263 |
20.8 |
0.1 |
0.097 |
0 |
0 |
0 |
0.000 |
51 |
62 |
|
[PEG]B:801 |
2 |
1 |
264 |
f |
[SO4]B:703 |
x,y,z |
1_555 |
3 |
1 |
185 |
20.8 |
-1.6 |
0.569 |
0 |
0 |
0 |
0.005 |
52 |
63 |
|
D |
4 |
4 |
11960 |
◊ |
A |
-x,y,-z+1 |
2_556 |
4 |
2 |
11958 |
19.9 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
53 |
64 |
|
[PEG]C:805 |
2 |
1 |
264 |
f |
[PEG]C:802 |
x,y,z |
1_555 |
4 |
1 |
262 |
19.0 |
-0.0 |
0.107 |
0 |
0 |
0 |
0.014 |
54 |
65 |
|
[PEG]A:806 |
3 |
1 |
266 |
◊ |
[PEG]B:806 |
-x+1,y-1,-z+1 |
2_646 |
2 |
1 |
265 |
18.2 |
1.1 |
0.187 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
[PEG]D:805 |
2 |
1 |
264 |
f |
[PEG]D:802 |
x,y,z |
1_555 |
3 |
1 |
264 |
15.4 |
0.8 |
0.187 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[PEG]B:805 |
1 |
1 |
263 |
f |
[PEG]B:802 |
x,y,z |
1_555 |
2 |
1 |
262 |
9.3 |
-0.4 |
0.121 |
0 |
0 |
0 |
0.041 |
57 |
68 |
|
[PEG]A:805 |
1 |
1 |
264 |
f |
[PEG]D:802 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
264 |
7.0 |
-0.0 |
0.162 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
[PEG]A:806 |
1 |
1 |
266 |
f |
B |
-x+1,y-1,-z+1 |
2_646 |
2 |
1 |
11977 |
6.1 |
0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
[PEG]A:801 |
1 |
1 |
264 |
f |
[SO4]A:701 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.7 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
[PEG]A:802 |
2 |
1 |
263 |
f |
[PEG]D:805 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
264 |
1.6 |
-0.0 |
0.216 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
A |
1 |
1 |
11958 |
◊ |
[SO4]B:705 |
-x+1,y-1,-z+1 |
2_646 |
1 |
1 |
184 |
1.4 |
-0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[SO4]D:703 |
1 |
1 |
185 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
11993 |
1.1 |
-0.1 |
0.833 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[PEG]A:801 |
1 |
1 |
264 |
◊ |
D |
-x,y,-z+1 |
2_556 |
1 |
1 |
11960 |
0.9 |
-0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[SO4]C:705 |
1 |
1 |
184 |
◊ |
D |
-x,y,-z+1 |
2_556 |
1 |
1 |
11960 |
0.8 |
-0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
65 |
76 |
|
B |
1 |
1 |
11977 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
11977 |
0.6 |
0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
|