## |
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 |
196 |
52 |
12287 |
◊ |
C |
x,y,z |
1_555 |
194 |
51 |
12342 |
1931.4 |
-37.5 |
0.001 |
14 |
2 |
0 |
0.521 |
2 |
|
B |
198 |
53 |
12330 |
◊ |
A |
x,y,z |
1_555 |
194 |
51 |
12359 |
1912.1 |
-39.1 |
0.001 |
14 |
2 |
0 |
0.521 |
Average: |
1921.8 |
-38.3 |
0.001 |
14 |
2 |
0 |
0.521 |
2 |
3 |
|
[NAP]D:801 |
46 |
1 |
876 |
f |
D |
x,y,z |
1_555 |
90 |
32 |
12287 |
617.4 |
-4.1 |
0.609 |
23 |
0 |
0 |
0.319 |
4 |
|
[NAP]C:801 |
47 |
1 |
868 |
f |
C |
x,y,z |
1_555 |
85 |
30 |
12342 |
613.9 |
-3.8 |
0.605 |
20 |
0 |
0 |
0.319 |
5 |
|
[NAP]A:801 |
46 |
1 |
870 |
f |
A |
x,y,z |
1_555 |
88 |
31 |
12359 |
613.2 |
-3.9 |
0.612 |
23 |
0 |
0 |
0.319 |
6 |
|
[NAP]B:801 |
47 |
1 |
866 |
f |
B |
x,y,z |
1_555 |
89 |
32 |
12330 |
611.6 |
-4.1 |
0.607 |
22 |
0 |
0 |
0.319 |
Average: |
614.0 |
-4.0 |
0.608 |
22 |
0 |
0 |
0.319 |
3 |
7 |
|
B |
50 |
14 |
12330 |
◊ |
D |
x-y-1,x,z+1/6 |
6_455 |
52 |
14 |
12287 |
448.7 |
-2.0 |
0.589 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
D |
57 |
13 |
12287 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
56 |
16 |
12359 |
441.0 |
-1.8 |
0.625 |
5 |
4 |
0 |
0.000 |
5 |
9 |
|
C |
47 |
13 |
12342 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
49 |
13 |
12359 |
438.4 |
-1.8 |
0.602 |
5 |
4 |
0 |
0.000 |
6 |
10 |
|
B |
28 |
6 |
12330 |
◊ |
C |
-y-1,x-y-1,z+1/3 |
2_445 |
37 |
13 |
12342 |
314.3 |
2.8 |
0.896 |
5 |
2 |
0 |
0.000 |
7 |
11 |
|
B |
43 |
10 |
12330 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
39 |
10 |
12359 |
313.5 |
-2.8 |
0.476 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[YTZ]D:802 |
16 |
1 |
394 |
f |
D |
x,y,z |
1_555 |
44 |
18 |
12287 |
261.5 |
3.4 |
0.305 |
2 |
0 |
0 |
0.000 |
13 |
|
[YTZ]C:802 |
16 |
1 |
398 |
f |
C |
x,y,z |
1_555 |
44 |
18 |
12342 |
229.2 |
2.6 |
0.303 |
2 |
0 |
0 |
0.000 |
14 |
|
[YTZ]B:802 |
16 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
41 |
18 |
12330 |
220.9 |
2.6 |
0.309 |
2 |
0 |
0 |
0.000 |
15 |
|
[YTZ]A:802 |
16 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
41 |
18 |
12359 |
220.7 |
2.5 |
0.314 |
3 |
0 |
0 |
0.000 |
Average: |
233.1 |
2.8 |
0.308 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
A |
29 |
10 |
12359 |
◊ |
C |
x-y-1,x,z+1/6 |
6_455 |
35 |
10 |
12342 |
236.8 |
3.3 |
0.915 |
4 |
3 |
0 |
0.000 |
10 |
17 |
|
[PEG]A:805 |
7 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
12359 |
132.5 |
2.8 |
0.274 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
[PEG]A:806 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12359 |
119.4 |
2.1 |
0.285 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[PEG]B:804 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12330 |
116.1 |
1.9 |
0.247 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[GOL]B:805 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
12330 |
115.3 |
-1.8 |
0.332 |
1 |
0 |
0 |
0.026 |
14 |
21 |
|
[PEG]C:805 |
7 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
12342 |
113.9 |
1.2 |
0.211 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[GOL]C:806 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
12342 |
112.7 |
-1.4 |
0.343 |
1 |
0 |
0 |
0.021 |
16 |
23 |
|
[SO4]C:804 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12342 |
68.7 |
-7.9 |
0.935 |
3 |
0 |
0 |
0.101 |
17 |
24 |
|
[YTZ]D:802 |
9 |
1 |
394 |
f |
[NAP]D:801 |
x,y,z |
1_555 |
10 |
1 |
876 |
68.5 |
0.2 |
0.142 |
0 |
0 |
0 |
0.002 |
25 |
|
[YTZ]C:802 |
9 |
1 |
398 |
f |
[NAP]C:801 |
x,y,z |
1_555 |
10 |
1 |
868 |
63.8 |
-0.1 |
0.123 |
0 |
0 |
0 |
0.002 |
26 |
|
[YTZ]B:802 |
9 |
1 |
395 |
f |
[NAP]B:801 |
x,y,z |
1_555 |
10 |
1 |
866 |
62.8 |
-0.1 |
0.134 |
0 |
0 |
0 |
0.002 |
27 |
|
[YTZ]A:802 |
9 |
1 |
397 |
f |
[NAP]A:801 |
x,y,z |
1_555 |
10 |
1 |
870 |
62.3 |
-0.1 |
0.158 |
0 |
0 |
0 |
0.002 |
Average: |
64.3 |
-0.0 |
0.139 |
0 |
0 |
0 |
0.002 |
18 |
28 |
|
C |
10 |
4 |
12342 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
12330 |
64.1 |
0.3 |
0.606 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[SO4]A:804 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12359 |
60.6 |
-6.9 |
0.930 |
1 |
0 |
0 |
0.083 |
20 |
30 |
|
[SO4]C:803 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
12342 |
59.3 |
-5.9 |
0.964 |
2 |
0 |
0 |
0.075 |
21 |
31 |
|
[SO4]D:803 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
12287 |
58.5 |
-5.9 |
0.951 |
1 |
0 |
0 |
0.070 |
22 |
32 |
|
[SO4]B:803 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
12330 |
57.2 |
-6.0 |
0.949 |
2 |
0 |
0 |
0.079 |
23 |
33 |
|
[SO4]A:803 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12359 |
56.4 |
-5.9 |
0.951 |
2 |
0 |
0 |
0.077 |
24 |
34 |
|
[PEG]A:805 |
6 |
1 |
262 |
f |
[YTZ]A:802 |
x,y,z |
1_555 |
9 |
1 |
397 |
46.7 |
1.9 |
0.071 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[GOL]B:805 |
5 |
1 |
219 |
f |
[YTZ]B:802 |
x,y,z |
1_555 |
9 |
1 |
395 |
43.8 |
0.8 |
0.155 |
1 |
0 |
0 |
0.000 |
26 |
36 |
|
D |
6 |
2 |
12287 |
◊ |
[SO4]A:804 |
-y-1,x-y-1,z+1/3 |
2_445 |
4 |
1 |
185 |
41.5 |
-5.3 |
0.668 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[PEG]B:804 |
5 |
1 |
263 |
f |
[YTZ]B:802 |
x,y,z |
1_555 |
2 |
1 |
395 |
38.3 |
1.4 |
0.185 |
1 |
0 |
0 |
0.000 |
28 |
38 |
|
[GOL]C:806 |
4 |
1 |
218 |
f |
[YTZ]C:802 |
x,y,z |
1_555 |
6 |
1 |
398 |
38.2 |
0.8 |
0.244 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[SO4]C:804 |
4 |
1 |
185 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
6 |
2 |
12359 |
37.3 |
-4.8 |
0.772 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[PEG]A:806 |
6 |
1 |
258 |
f |
[YTZ]A:802 |
x,y,z |
1_555 |
2 |
1 |
397 |
36.7 |
1.3 |
0.156 |
2 |
0 |
0 |
0.000 |
31 |
41 |
|
[PEG]C:805 |
5 |
1 |
257 |
f |
[YTZ]C:802 |
x,y,z |
1_555 |
2 |
1 |
398 |
33.7 |
1.3 |
0.185 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[PEG]A:806 |
2 |
1 |
258 |
f |
[PEG]A:805 |
x,y,z |
1_555 |
3 |
1 |
262 |
30.6 |
0.5 |
0.151 |
1 |
0 |
0 |
0.000 |
33 |
43 |
|
[GOL]B:805 |
1 |
1 |
219 |
f |
[PEG]B:804 |
x,y,z |
1_555 |
2 |
1 |
263 |
20.3 |
0.5 |
0.303 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[SO4]C:803 |
3 |
1 |
185 |
f |
[NAP]C:801 |
x,y,z |
1_555 |
4 |
1 |
868 |
19.3 |
-2.3 |
0.788 |
0 |
0 |
0 |
0.025 |
35 |
45 |
|
[SO4]B:803 |
4 |
1 |
185 |
f |
[NAP]B:801 |
x,y,z |
1_555 |
4 |
1 |
866 |
19.0 |
-1.9 |
0.783 |
0 |
0 |
0 |
0.022 |
36 |
46 |
|
[SO4]A:803 |
3 |
1 |
185 |
f |
[NAP]A:801 |
x,y,z |
1_555 |
3 |
1 |
870 |
16.1 |
-1.7 |
0.797 |
0 |
0 |
0 |
0.020 |
37 |
47 |
|
[SO4]D:803 |
4 |
1 |
185 |
f |
[NAP]D:801 |
x,y,z |
1_555 |
3 |
1 |
876 |
14.7 |
-1.5 |
0.771 |
0 |
0 |
0 |
0.017 |
38 |
48 |
|
D |
1 |
1 |
12287 |
◊ |
C |
x-y-1,x-1,z+1/6 |
6_445 |
3 |
1 |
12342 |
12.8 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
[GOL]C:806 |
1 |
1 |
218 |
f |
[PEG]C:805 |
x,y,z |
1_555 |
2 |
1 |
257 |
12.4 |
0.4 |
0.303 |
0 |
0 |
0 |
0.000 |
|