## |
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 |
|
C |
139 |
38 |
17554 |
◊ |
B |
x,y,z |
1_555 |
156 |
44 |
17290 |
1271.7 |
-10.2 |
0.295 |
6 |
2 |
0 |
0.103 |
2 |
|
A |
118 |
34 |
17576 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
118 |
34 |
17576 |
932.2 |
-6.8 |
0.402 |
2 |
2 |
0 |
0.103 |
Average: |
1102.0 |
-8.5 |
0.349 |
4 |
2 |
0 |
0.103 |
2 |
3 |
|
B |
123 |
38 |
17290 |
◊ |
C |
-y+1,x-y+1,z+1/3 |
2_665 |
122 |
35 |
17554 |
1167.2 |
-5.1 |
0.552 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
116 |
37 |
17576 |
◊ |
A |
y,x,-z+1 |
4_556 |
117 |
37 |
17576 |
1141.9 |
-4.2 |
0.581 |
4 |
0 |
0 |
0.000 |
Average: |
1154.6 |
-4.6 |
0.566 |
4 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
48 |
15 |
17290 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
17576 |
410.7 |
-0.5 |
0.681 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
33 |
13 |
17576 |
◊ |
C |
x-y,-y+1,-z+2/3 |
5_565 |
32 |
13 |
17554 |
321.8 |
1.2 |
0.753 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[1PE]B:502 |
15 |
1 |
478 |
f |
B |
x,y,z |
1_555 |
38 |
13 |
17290 |
238.2 |
-1.0 |
0.578 |
1 |
0 |
0 |
0.028 |
6 |
8 |
|
[1PE]A:501 |
15 |
1 |
482 |
f |
A |
x-y,-y,-z+2/3 |
5_555 |
37 |
13 |
17576 |
231.3 |
-1.7 |
0.540 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
26 |
10 |
17576 |
◊ |
B |
y-1,x,-z+1 |
4_456 |
22 |
7 |
17290 |
220.7 |
-2.6 |
0.305 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
22 |
7 |
17554 |
x |
C |
x-y,-y+1,-z+2/3 |
5_565 |
17 |
8 |
17554 |
186.1 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
18 |
9 |
17290 |
◊ |
C |
x-y,-y+1,-z+2/3 |
5_565 |
21 |
7 |
17554 |
176.7 |
-2.2 |
0.265 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[1PE]A:501 |
15 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
17576 |
165.4 |
0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[GOL]B:513 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
17290 |
142.0 |
-1.9 |
0.339 |
1 |
0 |
0 |
0.044 |
12 |
14 |
|
[GOL]B:518 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
17290 |
132.4 |
-1.0 |
0.493 |
1 |
0 |
0 |
0.027 |
13 |
15 |
|
[PEG]C:502 |
6 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
17554 |
130.6 |
3.4 |
0.483 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
17576 |
125.8 |
2.0 |
0.356 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[1PE]B:502 |
13 |
1 |
478 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
17554 |
125.6 |
0.5 |
0.710 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[GOL]B:516 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
17290 |
120.2 |
-0.7 |
0.490 |
1 |
0 |
0 |
0.021 |
17 |
19 |
|
[GOL]A:510 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
17576 |
116.7 |
-0.4 |
0.514 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[GOL]B:515 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
17290 |
108.6 |
-0.8 |
0.494 |
0 |
0 |
0 |
0.015 |
19 |
21 |
|
[GOL]A:509 |
6 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
17576 |
105.8 |
-0.3 |
0.594 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]A:505 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
17576 |
104.5 |
3.2 |
0.483 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]C:506 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
17554 |
100.4 |
2.9 |
0.382 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]A:507 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
17576 |
100.2 |
3.7 |
0.527 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]C:508 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
17554 |
97.9 |
2.5 |
0.429 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[GOL]B:511 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
17290 |
96.2 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[EDO]C:507 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
17554 |
90.5 |
2.1 |
0.266 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
[GOL]B:512 |
6 |
1 |
210 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
17290 |
89.3 |
0.1 |
0.691 |
1 |
0 |
0 |
0.007 |
27 |
29 |
|
[EDO]A:506 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17576 |
88.4 |
2.5 |
0.418 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[EDO]B:509 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
17290 |
86.3 |
2.4 |
0.457 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:505 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
17290 |
84.8 |
1.3 |
0.138 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
17576 |
83.2 |
1.9 |
0.264 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[EDO]C:503 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
17554 |
81.5 |
1.9 |
0.265 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:502 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17576 |
80.2 |
1.8 |
0.219 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[GOL]B:514 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
17290 |
78.8 |
-0.7 |
0.456 |
1 |
0 |
0 |
0.021 |
34 |
36 |
|
[GOL]B:510 |
6 |
1 |
212 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17290 |
78.2 |
-0.4 |
0.511 |
0 |
0 |
0 |
0.008 |
35 |
37 |
|
[EDO]B:507 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
17290 |
76.1 |
2.1 |
0.272 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[GOL]B:514 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
17554 |
75.9 |
-0.6 |
0.485 |
0 |
0 |
0 |
0.005 |
37 |
39 |
|
[GOL]C:509 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
17554 |
75.8 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[EDO]B:508 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
17290 |
73.5 |
1.4 |
0.211 |
1 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17290 |
70.6 |
1.5 |
0.223 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[EDO]C:505 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
17554 |
70.3 |
2.0 |
0.826 |
1 |
0 |
0 |
0.000 |
41 |
43 |
|
[EDO]C:504 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
17554 |
69.4 |
1.7 |
0.240 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[GOL]A:510 |
5 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
17290 |
69.3 |
0.9 |
0.741 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]B:506 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
17290 |
68.1 |
1.7 |
0.799 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
[GOL]B:517 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17290 |
65.2 |
0.7 |
0.711 |
2 |
0 |
0 |
0.003 |
45 |
47 |
|
[EDO]A:508 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
17576 |
65.1 |
1.1 |
0.760 |
1 |
0 |
0 |
0.000 |
46 |
48 |
|
[BR]B:501 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17290 |
61.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.140 |
49 |
|
[BR]C:501 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
17554 |
60.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
60.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.140 |
47 |
50 |
|
C |
7 |
3 |
17554 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17576 |
54.7 |
-1.7 |
0.129 |
0 |
0 |
0 |
0.000 |
48 |
51 |
|
[GOL]B:510 |
3 |
1 |
212 |
◊ |
C |
x,y,z |
1_555 |
9 |
6 |
17554 |
51.6 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.002 |
49 |
52 |
|
[GOL]A:511 |
4 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
17576 |
49.8 |
0.2 |
0.625 |
1 |
0 |
0 |
0.000 |
50 |
53 |
|
[EDO]C:505 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17290 |
47.8 |
1.6 |
0.812 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[EDO]B:504 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17290 |
45.8 |
1.7 |
0.906 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[GOL]B:513 |
4 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
17554 |
44.2 |
-0.4 |
0.547 |
0 |
0 |
0 |
0.003 |
53 |
56 |
|
[EDO]A:505 |
4 |
1 |
187 |
f |
C |
x-y,-y+1,-z+2/3 |
5_565 |
4 |
2 |
17554 |
39.9 |
0.3 |
0.377 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[EDO]B:508 |
2 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
17554 |
28.0 |
0.9 |
0.932 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[BR]C:501 |
1 |
1 |
133 |
f |
[EDO]C:508 |
x,y,z |
1_555 |
2 |
1 |
185 |
17.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
56 |
59 |
|
[GOL]A:511 |
2 |
1 |
218 |
◊ |
B |
y-1,x,-z+1 |
4_456 |
2 |
1 |
17290 |
16.5 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[EDO]A:508 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
17290 |
16.2 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[EDO]B:508 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
17576 |
14.9 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[GOL]B:515 |
1 |
1 |
219 |
f |
[EDO]B:507 |
x,y,z |
1_555 |
2 |
1 |
184 |
10.8 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
60 |
63 |
|
[GOL]B:511 |
1 |
1 |
218 |
f |
C |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
17554 |
7.7 |
-0.2 |
0.349 |
0 |
0 |
0 |
0.002 |
61 |
64 |
|
B |
2 |
2 |
17290 |
f |
[EDO]C:503 |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
185 |
6.0 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
[EDO]A:503 |
2 |
1 |
185 |
f |
A |
y,x,-z+1 |
4_556 |
1 |
1 |
17576 |
4.5 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[1PE]B:502 |
2 |
1 |
478 |
f |
[GOL]B:518 |
x,y,z |
1_555 |
1 |
1 |
220 |
2.3 |
0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
64 |
67 |
|
[GOL]B:512 |
1 |
1 |
210 |
f |
[EDO]B:503 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.5 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|