## |
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 |
170 |
42 |
11355 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
169 |
42 |
10907 |
1580.0 |
-18.3 |
0.201 |
10 |
10 |
0 |
0.440 |
2 |
|
B |
164 |
42 |
10812 |
◊ |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
164 |
41 |
11150 |
1535.9 |
-20.5 |
0.128 |
10 |
10 |
0 |
0.440 |
Average: |
1558.0 |
-19.4 |
0.164 |
10 |
10 |
0 |
0.440 |
2 |
3 |
|
H |
138 |
42 |
11150 |
◊ |
G |
x,y,z |
1_555 |
148 |
43 |
10334 |
1311.0 |
-15.4 |
0.198 |
14 |
1 |
0 |
0.720 |
4 |
|
E |
135 |
42 |
11355 |
◊ |
A |
x,y,z |
1_555 |
139 |
41 |
10666 |
1283.5 |
-14.3 |
0.189 |
15 |
1 |
0 |
0.720 |
5 |
|
D |
144 |
41 |
10368 |
◊ |
B |
-y,x-y,z |
2_555 |
132 |
43 |
10812 |
1262.6 |
-14.2 |
0.225 |
14 |
1 |
0 |
0.720 |
6 |
|
F |
146 |
43 |
10468 |
◊ |
C |
x,y,z |
1_555 |
134 |
40 |
10907 |
1257.8 |
-13.5 |
0.253 |
11 |
1 |
0 |
0.720 |
Average: |
1278.7 |
-14.4 |
0.216 |
14 |
1 |
0 |
0.720 |
3 |
7 |
|
C |
70 |
24 |
10907 |
◊ |
A |
x,y,z |
1_555 |
67 |
21 |
10666 |
668.2 |
-1.5 |
0.579 |
9 |
2 |
0 |
0.000 |
8 |
|
H |
70 |
25 |
11150 |
◊ |
F |
x,y,z |
1_555 |
68 |
21 |
10468 |
657.0 |
-1.1 |
0.569 |
8 |
2 |
0 |
0.000 |
9 |
|
G |
69 |
21 |
10334 |
◊ |
E |
x,y,z |
1_555 |
66 |
24 |
11355 |
649.2 |
-0.4 |
0.680 |
10 |
1 |
0 |
0.000 |
10 |
|
D |
65 |
21 |
10368 |
◊ |
B |
x,y,z |
1_555 |
69 |
25 |
10812 |
617.8 |
-2.4 |
0.511 |
7 |
1 |
0 |
0.000 |
Average: |
648.0 |
-1.3 |
0.585 |
9 |
2 |
0 |
0.000 |
4 |
11 |
|
D |
45 |
14 |
10368 |
◊ |
H |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
43 |
10 |
11150 |
419.4 |
-4.8 |
0.311 |
6 |
0 |
0 |
0.134 |
12 |
|
A |
48 |
14 |
10666 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
41 |
10 |
10907 |
411.6 |
-5.1 |
0.264 |
6 |
0 |
0 |
0.134 |
13 |
|
E |
42 |
10 |
11355 |
◊ |
F |
-y+1,x-y+1,z |
2_665 |
45 |
15 |
10468 |
404.7 |
-4.9 |
0.286 |
6 |
0 |
0 |
0.134 |
14 |
|
B |
38 |
10 |
10812 |
◊ |
G |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
44 |
13 |
10334 |
377.4 |
-4.6 |
0.293 |
6 |
0 |
0 |
0.134 |
Average: |
403.3 |
-4.9 |
0.289 |
6 |
0 |
0 |
0.134 |
5 |
15 |
|
D |
43 |
14 |
10368 |
◊ |
A |
-y,x-y,z |
2_555 |
35 |
10 |
10666 |
358.1 |
2.8 |
0.854 |
4 |
3 |
0 |
0.000 |
16 |
|
F |
30 |
10 |
10468 |
◊ |
D |
x,y,z |
1_555 |
32 |
10 |
10368 |
288.1 |
0.4 |
0.695 |
4 |
2 |
0 |
0.000 |
Average: |
323.1 |
1.6 |
0.774 |
4 |
3 |
0 |
0.000 |
6 |
17 |
|
F |
20 |
7 |
10468 |
◊ |
A |
-y,x-y,z |
2_555 |
19 |
6 |
10666 |
178.1 |
-2.7 |
0.260 |
0 |
0 |
0 |
0.000 |
7 |
18 |
|
F |
13 |
6 |
10468 |
◊ |
G |
-y,x-y,z |
2_555 |
21 |
8 |
10334 |
145.8 |
-1.2 |
0.301 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
[BU4]A:1 |
5 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
10666 |
108.0 |
2.7 |
0.247 |
3 |
0 |
0 |
0.000 |
9 |
20 |
|
[BU4]G:3 |
5 |
1 |
237 |
f |
G |
x,y,z |
1_555 |
18 |
7 |
10334 |
104.6 |
3.3 |
0.267 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
[BU4]D:2 |
5 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
10368 |
102.1 |
2.5 |
0.198 |
4 |
0 |
0 |
0.000 |
11 |
22 |
|
[ACT]E:9 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
11355 |
101.1 |
-0.3 |
0.662 |
3 |
0 |
0 |
0.039 |
12 |
23 |
|
[BU4]F:4 |
6 |
1 |
232 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
10468 |
99.5 |
2.5 |
0.097 |
1 |
0 |
0 |
0.000 |
13 |
24 |
|
[SO4]C:3 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
10907 |
99.5 |
-13.4 |
0.852 |
2 |
0 |
0 |
0.486 |
14 |
25 |
|
[SO4]H:1 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
21 |
10 |
11150 |
99.1 |
-13.3 |
0.839 |
2 |
0 |
0 |
0.470 |
26 |
|
[SO4]E:4 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
21 |
9 |
11355 |
97.0 |
-13.3 |
0.830 |
2 |
0 |
0 |
0.470 |
27 |
|
[SO4]B:2 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
10812 |
95.9 |
-12.9 |
0.852 |
2 |
0 |
0 |
0.470 |
Average: |
97.3 |
-13.2 |
0.841 |
2 |
0 |
0 |
0.470 |
15 |
28 |
|
[ACT]B:208 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10812 |
97.8 |
0.7 |
0.826 |
2 |
0 |
0 |
0.005 |
16 |
29 |
|
[ACT]H:6 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
11150 |
96.6 |
0.2 |
0.755 |
2 |
0 |
0 |
0.023 |
17 |
30 |
|
[ACT]C:8 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10907 |
90.5 |
0.2 |
0.744 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[BU4]B:7 |
5 |
1 |
234 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
10812 |
85.4 |
1.7 |
0.117 |
2 |
0 |
0 |
0.000 |
19 |
32 |
|
[BU4]C:5 |
6 |
1 |
231 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
10907 |
82.6 |
2.0 |
0.087 |
1 |
0 |
0 |
0.000 |
20 |
33 |
|
[BU4]E:6 |
6 |
1 |
233 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
11355 |
82.3 |
1.7 |
0.024 |
1 |
0 |
0 |
0.000 |
21 |
34 |
|
[BU4]H:8 |
5 |
1 |
234 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
11150 |
76.2 |
1.8 |
0.130 |
1 |
0 |
0 |
0.000 |
22 |
35 |
|
[SO4]D:5 |
4 |
1 |
187 |
f |
A |
-y,x-y,z |
2_555 |
8 |
4 |
10666 |
54.5 |
-5.6 |
0.923 |
2 |
0 |
0 |
0.153 |
23 |
36 |
|
[SO4]E:4 |
4 |
1 |
186 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
4 |
3 |
10907 |
48.0 |
-3.4 |
0.978 |
1 |
0 |
0 |
0.069 |
37 |
|
[SO4]B:2 |
4 |
1 |
185 |
◊ |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
3 |
11150 |
43.3 |
-3.7 |
0.918 |
1 |
0 |
0 |
0.069 |
Average: |
45.7 |
-3.5 |
0.948 |
1 |
0 |
0 |
0.069 |
24 |
38 |
|
D |
5 |
2 |
10368 |
◊ |
[BU4]H:8 |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
3 |
1 |
234 |
46.2 |
1.9 |
0.948 |
1 |
0 |
0 |
0.000 |
25 |
39 |
|
E |
4 |
3 |
11355 |
◊ |
[SO4]C:3 |
-y+1,x-y+1,z |
2_665 |
4 |
1 |
186 |
46.0 |
-3.5 |
0.977 |
1 |
0 |
0 |
0.065 |
26 |
40 |
|
E |
5 |
3 |
11355 |
◊ |
[ACT]C:8 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
183 |
43.6 |
0.5 |
0.778 |
1 |
0 |
0 |
0.000 |
27 |
41 |
|
B |
4 |
3 |
10812 |
◊ |
[SO4]H:1 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
187 |
41.5 |
-2.8 |
0.975 |
1 |
0 |
0 |
0.053 |
28 |
42 |
|
[SO4]D:5 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10368 |
39.9 |
-3.5 |
0.973 |
2 |
0 |
0 |
0.000 |
29 |
43 |
|
[ACT]B:208 |
3 |
1 |
184 |
◊ |
[ACT]H:6 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
3 |
1 |
183 |
38.9 |
-0.6 |
0.688 |
0 |
0 |
0 |
0.011 |
30 |
44 |
|
[BU4]B:7 |
3 |
1 |
234 |
◊ |
G |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
2 |
10334 |
38.8 |
1.8 |
0.944 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
E |
5 |
2 |
11355 |
◊ |
A |
-y+1,x-y+1,z |
2_665 |
8 |
3 |
10666 |
38.4 |
1.3 |
0.810 |
1 |
1 |
0 |
0.000 |
46 |
|
D |
2 |
1 |
10368 |
◊ |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
11150 |
6.2 |
-0.2 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
22.3 |
0.5 |
0.610 |
1 |
1 |
0 |
0.000 |
32 |
47 |
|
[BU4]E:6 |
2 |
1 |
233 |
◊ |
F |
-y+1,x-y+1,z |
2_665 |
4 |
2 |
10468 |
38.1 |
1.5 |
0.315 |
1 |
0 |
0 |
0.000 |
33 |
48 |
|
[ACT]E:9 |
3 |
1 |
182 |
◊ |
[ACT]C:8 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
183 |
34.8 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
34 |
49 |
|
A |
2 |
2 |
10666 |
f |
[BU4]C:5 |
-y+1,x-y+1,z |
2_665 |
3 |
1 |
231 |
31.4 |
1.1 |
0.968 |
1 |
0 |
0 |
0.000 |
35 |
50 |
|
[ACT]B:208 |
2 |
1 |
184 |
◊ |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
3 |
11150 |
30.3 |
0.4 |
0.671 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
B |
4 |
2 |
10812 |
◊ |
[ACT]H:6 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
183 |
29.2 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[ACT]E:9 |
2 |
1 |
182 |
◊ |
C |
-y+1,x-y+1,z |
2_665 |
3 |
2 |
10907 |
23.2 |
0.6 |
0.793 |
1 |
0 |
0 |
0.000 |
38 |
53 |
|
[SO4]D:5 |
3 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
10468 |
17.6 |
-1.9 |
0.865 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[SO4]D:5 |
1 |
1 |
187 |
◊ |
[BU4]A:1 |
-y,x-y,z |
2_555 |
1 |
1 |
235 |
6.4 |
-0.7 |
0.894 |
0 |
0 |
0 |
0.017 |
40 |
55 |
|
[BU4]E:6 |
1 |
1 |
233 |
f |
C |
-y+1,x-y+1,z |
2_665 |
1 |
1 |
10907 |
6.4 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[BU4]B:7 |
1 |
1 |
234 |
f |
H |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
11150 |
0.3 |
0.0 |
0.788 |
0 |
0 |
0 |
0.000 |
|