## |
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 |
|
B |
132 |
35 |
6640 |
◊ |
A |
x,y,z |
1_555 |
137 |
40 |
15282 |
1292.8 |
-8.3 |
0.240 |
23 |
6 |
0 |
0.482 |
2 |
|
E |
137 |
35 |
6713 |
◊ |
D |
x,y,z |
1_555 |
141 |
44 |
15417 |
1261.3 |
-10.5 |
0.165 |
24 |
6 |
0 |
0.482 |
Average: |
1277.1 |
-9.4 |
0.202 |
24 |
6 |
0 |
0.482 |
2 |
3 |
|
F |
71 |
9 |
1387 |
◊ |
D |
x,y,z |
1_555 |
125 |
34 |
15417 |
814.3 |
-12.9 |
0.447 |
14 |
0 |
0 |
0.613 |
3 |
4 |
|
C |
68 |
9 |
1470 |
◊ |
A |
x,y,z |
1_555 |
122 |
35 |
15282 |
784.6 |
-11.3 |
0.575 |
12 |
0 |
0 |
0.297 |
4 |
5 |
|
A |
67 |
19 |
15282 |
◊ |
D |
x-1,y,z |
1_455 |
64 |
23 |
15417 |
519.6 |
-1.4 |
0.453 |
7 |
0 |
0 |
0.000 |
5 |
6 |
|
D |
56 |
17 |
15417 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
52 |
19 |
15282 |
469.7 |
3.3 |
0.787 |
6 |
1 |
0 |
0.000 |
6 |
7 |
|
D |
44 |
15 |
15417 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
15282 |
427.8 |
0.2 |
0.594 |
3 |
6 |
0 |
0.000 |
7 |
8 |
|
[PE8]D:309 |
24 |
1 |
697 |
f |
D |
x,y,z |
1_555 |
39 |
15 |
15417 |
303.2 |
1.3 |
0.377 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
34 |
10 |
15282 |
◊ |
A |
x,x-y+1,-z |
6_565 |
34 |
10 |
15282 |
262.0 |
1.3 |
0.696 |
4 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
37 |
11 |
6640 |
◊ |
A |
x,x-y+1,-z |
6_565 |
25 |
9 |
15282 |
260.2 |
-0.5 |
0.456 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
C |
25 |
6 |
1470 |
◊ |
D |
x-1,y,z |
1_455 |
32 |
10 |
15417 |
222.4 |
-4.1 |
0.476 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
E |
17 |
5 |
6713 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
15282 |
204.2 |
0.3 |
0.619 |
4 |
3 |
0 |
0.000 |
13 |
|
B |
15 |
5 |
6640 |
◊ |
D |
x,y,z |
1_555 |
24 |
5 |
15417 |
193.9 |
0.3 |
0.627 |
4 |
3 |
0 |
0.000 |
Average: |
199.0 |
0.3 |
0.623 |
4 |
3 |
0 |
0.000 |
12 |
14 |
|
[P4G]C:102 |
10 |
1 |
384 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
15282 |
149.1 |
4.3 |
0.064 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[P4G]C:102 |
11 |
1 |
384 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
1470 |
139.1 |
3.5 |
0.063 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
20 |
7 |
15282 |
◊ |
F |
x-1,y,z |
1_455 |
16 |
5 |
1387 |
128.5 |
-2.7 |
0.442 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
A |
14 |
4 |
15282 |
◊ |
[P4G]D:308 |
x-1,y,z |
1_455 |
11 |
1 |
392 |
123.1 |
2.4 |
0.012 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[GOL]D:304 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
15417 |
122.9 |
-0.5 |
0.487 |
3 |
0 |
0 |
0.058 |
17 |
19 |
|
[GOL]A:303 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
15282 |
118.8 |
-0.3 |
0.520 |
3 |
0 |
0 |
0.049 |
20 |
|
[GOL]D:306 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
15417 |
118.0 |
0.2 |
0.620 |
4 |
0 |
0 |
0.049 |
Average: |
118.4 |
-0.0 |
0.570 |
4 |
0 |
0 |
0.049 |
18 |
21 |
|
[EDO]B:102 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
6640 |
114.3 |
3.3 |
0.421 |
4 |
0 |
0 |
0.000 |
19 |
22 |
|
C |
12 |
4 |
1470 |
◊ |
F |
x-1,y,z |
1_455 |
11 |
3 |
1387 |
113.3 |
-3.3 |
0.623 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]E:303 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
15 |
7 |
6713 |
111.6 |
3.2 |
0.431 |
5 |
0 |
0 |
0.000 |
21 |
24 |
|
D |
16 |
8 |
15417 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
4_665 |
16 |
8 |
15417 |
108.7 |
-0.6 |
0.475 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
A |
13 |
5 |
15282 |
◊ |
D |
x-1,x-y,-z |
6_455 |
14 |
3 |
15417 |
106.8 |
-1.5 |
0.305 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[GOL]D:303 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
15417 |
103.9 |
-0.9 |
0.412 |
1 |
0 |
0 |
0.042 |
24 |
27 |
|
[SO4]A:305 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15282 |
103.6 |
-15.0 |
0.737 |
0 |
0 |
0 |
0.269 |
25 |
28 |
|
[GOL]E:305 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
15417 |
101.6 |
-0.2 |
0.512 |
2 |
0 |
0 |
0.034 |
26 |
29 |
|
B |
9 |
3 |
6640 |
◊ |
B |
x,x-y,-z |
6_555 |
9 |
3 |
6640 |
100.9 |
0.9 |
0.743 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
A |
12 |
8 |
15282 |
◊ |
E |
x-1,y-1,z |
1_445 |
14 |
7 |
6713 |
95.7 |
2.3 |
0.840 |
1 |
2 |
0 |
0.000 |
28 |
31 |
|
[PE8]D:309 |
11 |
1 |
697 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
1387 |
90.2 |
-1.0 |
0.448 |
0 |
0 |
0 |
0.033 |
29 |
32 |
|
[EDO]D:301 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
15417 |
87.7 |
2.5 |
0.279 |
2 |
0 |
0 |
0.000 |
30 |
33 |
|
[P4G]D:308 |
6 |
1 |
392 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
15417 |
87.4 |
2.9 |
0.166 |
1 |
0 |
0 |
0.000 |
31 |
34 |
|
[EDO]E:304 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
12 |
6 |
6713 |
87.3 |
1.4 |
0.182 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
[EDO]E:302 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
16 |
9 |
6713 |
86.0 |
2.1 |
0.276 |
3 |
0 |
0 |
0.000 |
33 |
36 |
|
[SO4]D:307 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
3 |
15417 |
84.8 |
-13.0 |
0.685 |
0 |
0 |
0 |
0.418 |
34 |
37 |
|
[SO4]A:304 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
3 |
15282 |
84.7 |
-12.6 |
0.645 |
0 |
0 |
0 |
0.226 |
35 |
38 |
|
[P4G]D:308 |
9 |
1 |
392 |
f |
F |
x,y,z |
1_555 |
13 |
2 |
1387 |
84.6 |
2.0 |
0.043 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
[GOL]D:305 |
5 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15417 |
84.2 |
-1.2 |
0.317 |
0 |
0 |
0 |
0.037 |
37 |
40 |
|
[EDO]B:103 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
6640 |
84.0 |
2.1 |
0.274 |
3 |
0 |
0 |
0.000 |
38 |
41 |
|
A |
9 |
3 |
15282 |
◊ |
[GOL]D:305 |
x-1,y,z |
1_455 |
5 |
1 |
223 |
81.2 |
0.5 |
0.606 |
1 |
0 |
0 |
0.000 |
39 |
42 |
|
[EDO]A:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15282 |
79.3 |
1.9 |
0.267 |
3 |
0 |
0 |
0.000 |
40 |
43 |
|
E |
11 |
4 |
6713 |
◊ |
E |
x,x-y+1,-z |
6_565 |
12 |
4 |
6713 |
74.8 |
2.3 |
0.875 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[EDO]D:302 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
15417 |
72.8 |
2.7 |
0.307 |
1 |
0 |
0 |
0.000 |
42 |
45 |
|
[EDO]C:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
15282 |
72.8 |
2.0 |
0.403 |
1 |
0 |
0 |
0.000 |
43 |
46 |
|
[SO4]A:306 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
15282 |
72.7 |
-10.0 |
0.768 |
1 |
0 |
0 |
0.187 |
44 |
47 |
|
[EDO]A:302 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
15282 |
68.2 |
1.1 |
0.180 |
1 |
0 |
0 |
0.000 |
45 |
48 |
|
B |
8 |
4 |
6640 |
◊ |
A |
x,x-y,-z |
6_555 |
6 |
2 |
15282 |
67.1 |
-0.5 |
0.476 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[EDO]B:103 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15282 |
66.7 |
1.6 |
0.250 |
1 |
0 |
0 |
0.000 |
47 |
50 |
|
[EDO]E:302 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15417 |
65.7 |
1.6 |
0.254 |
1 |
0 |
0 |
0.000 |
48 |
51 |
|
[EDO]C:101 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
1470 |
62.9 |
1.1 |
0.980 |
3 |
0 |
0 |
0.004 |
49 |
52 |
|
[NA]B:101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6640 |
62.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.132 |
50 |
53 |
|
[GOL]D:303 |
5 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
1387 |
62.2 |
-0.6 |
0.636 |
1 |
0 |
0 |
0.035 |
51 |
54 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
4_665 |
9 |
3 |
15417 |
60.3 |
2.1 |
0.862 |
1 |
0 |
0 |
0.000 |
52 |
55 |
|
[EDO]E:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
15417 |
58.9 |
1.1 |
0.582 |
1 |
0 |
0 |
0.000 |
53 |
56 |
|
[PE8]D:309 |
5 |
1 |
697 |
◊ |
[P4G]D:308 |
x,y,z |
1_555 |
7 |
1 |
392 |
56.6 |
2.3 |
0.042 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[GOL]E:305 |
3 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
6713 |
53.9 |
0.3 |
0.585 |
2 |
0 |
0 |
0.013 |
55 |
58 |
|
[SO4]A:306 |
4 |
1 |
184 |
◊ |
D |
-y+1,-x+1,-z+1/3 |
4_665 |
6 |
2 |
15417 |
42.7 |
-4.3 |
0.882 |
1 |
0 |
0 |
0.000 |
56 |
59 |
|
[CA]E:301 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
6713 |
42.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.216 |
57 |
60 |
|
B |
5 |
3 |
6640 |
◊ |
D |
x,x-y+1,-z |
6_565 |
4 |
2 |
15417 |
39.7 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
A |
5 |
1 |
15282 |
◊ |
[EDO]D:302 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
39.2 |
1.1 |
0.809 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
D |
2 |
1 |
15417 |
◊ |
D |
-y+2,-x+2,-z+1/3 |
4_775 |
2 |
1 |
15417 |
38.5 |
-1.2 |
0.057 |
0 |
0 |
0 |
0.000 |
60 |
63 |
|
[GOL]D:306 |
4 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
6713 |
38.4 |
-0.9 |
0.326 |
0 |
0 |
0 |
0.021 |
64 |
|
[GOL]A:303 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6640 |
32.5 |
-0.3 |
0.508 |
0 |
0 |
0 |
0.021 |
Average: |
35.4 |
-0.6 |
0.417 |
0 |
0 |
0 |
0.021 |
61 |
65 |
|
[EDO]A:302 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
7 |
1 |
1470 |
36.0 |
0.8 |
0.317 |
0 |
0 |
0 |
0.000 |
62 |
66 |
|
[EDO]A:302 |
3 |
1 |
183 |
◊ |
[EDO]D:302 |
x-1,y,z |
1_455 |
2 |
1 |
183 |
31.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
67 |
|
[SO4]A:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6640 |
31.3 |
-3.1 |
0.881 |
1 |
0 |
0 |
0.050 |
64 |
68 |
|
[EDO]A:302 |
3 |
1 |
183 |
f |
D |
x-1,y,z |
1_455 |
3 |
2 |
15417 |
28.2 |
1.2 |
0.933 |
0 |
0 |
0 |
0.000 |
65 |
69 |
|
[SO4]A:306 |
3 |
1 |
184 |
f |
[EDO]A:301 |
x,y,z |
1_555 |
1 |
1 |
184 |
24.2 |
-2.9 |
0.996 |
1 |
0 |
0 |
0.060 |
66 |
70 |
|
C |
3 |
1 |
1470 |
f |
[EDO]D:302 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
23.2 |
0.5 |
0.775 |
0 |
0 |
0 |
0.000 |
67 |
71 |
|
[P4G]C:102 |
1 |
1 |
384 |
◊ |
[EDO]C:101 |
x,y,z |
1_555 |
2 |
1 |
184 |
20.6 |
1.3 |
0.603 |
0 |
0 |
0 |
0.000 |
68 |
72 |
|
[GOL]D:304 |
2 |
1 |
222 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
6713 |
13.4 |
-0.3 |
0.372 |
0 |
0 |
0 |
0.007 |
69 |
73 |
|
B |
2 |
1 |
6640 |
◊ |
B |
x,x-y+1,-z |
6_565 |
2 |
1 |
6640 |
11.4 |
-0.4 |
0.350 |
0 |
0 |
0 |
0.000 |
70 |
74 |
|
[P4G]C:102 |
3 |
1 |
384 |
f |
D |
x-1,y,z |
1_455 |
1 |
1 |
15417 |
10.8 |
0.2 |
0.057 |
0 |
0 |
0 |
0.000 |
71 |
75 |
|
[PE8]D:309 |
2 |
1 |
697 |
f |
[SO4]D:307 |
x,y,z |
1_555 |
3 |
1 |
183 |
8.9 |
-1.1 |
0.607 |
0 |
0 |
0 |
0.034 |
72 |
76 |
|
[P4G]C:102 |
2 |
1 |
384 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
2 |
1 |
183 |
7.7 |
0.3 |
0.203 |
0 |
0 |
0 |
0.000 |
73 |
77 |
|
[EDO]E:303 |
1 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
15417 |
7.0 |
0.3 |
0.951 |
0 |
0 |
0 |
0.000 |
74 |
78 |
|
[EDO]B:102 |
1 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15282 |
5.4 |
0.2 |
0.934 |
0 |
0 |
0 |
0.000 |
75 |
79 |
|
[GOL]D:306 |
1 |
1 |
219 |
f |
[GOL]D:304 |
x,y,z |
1_555 |
1 |
1 |
222 |
1.2 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
76 |
80 |
|
[NA]B:101 |
1 |
1 |
125 |
◊ |
B |
x,x-y+1,-z |
6_565 |
1 |
1 |
6640 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|