| ## |
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 |
134 |
31 |
10243 |
◊ |
A |
x,y,z |
1_555 |
133 |
31 |
10332 |
1209.3 |
-12.5 |
0.275 |
10 |
0 |
0 |
0.180 |
2 |
|
G |
136 |
31 |
10258 |
◊ |
G |
-y+2,-x+2,-z+1/2 |
8_775 |
134 |
31 |
10258 |
1200.8 |
-13.8 |
0.172 |
12 |
0 |
0 |
0.180 |
3 |
|
F |
129 |
29 |
10332 |
◊ |
E |
x,y,z |
1_555 |
133 |
30 |
10263 |
1181.8 |
-13.7 |
0.178 |
11 |
0 |
0 |
0.180 |
4 |
|
D |
132 |
30 |
10179 |
◊ |
C |
x,y,z |
1_555 |
132 |
31 |
10267 |
1179.5 |
-12.8 |
0.228 |
12 |
0 |
0 |
0.180 |
| Average: |
1192.8 |
-13.2 |
0.213 |
11 |
0 |
0 |
0.180 |
| 2 |
5 |
|
E |
53 |
15 |
10263 |
◊ |
D |
x,y,z |
1_555 |
51 |
15 |
10179 |
573.7 |
-9.7 |
0.046 |
6 |
0 |
0 |
0.106 |
6 |
|
F |
52 |
15 |
10332 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
10332 |
570.1 |
-9.6 |
0.051 |
6 |
0 |
0 |
0.106 |
7 |
|
C |
50 |
15 |
10267 |
◊ |
B |
x,y,z |
1_555 |
51 |
15 |
10243 |
564.2 |
-10.0 |
0.041 |
6 |
0 |
0 |
0.106 |
8 |
|
G |
50 |
15 |
10258 |
◊ |
G |
-x+y+1,y,-z+1/2 |
10_655 |
50 |
15 |
10258 |
555.7 |
-10.0 |
0.031 |
6 |
0 |
0 |
0.106 |
| Average: |
565.9 |
-9.8 |
0.042 |
6 |
0 |
0 |
0.106 |
| 3 |
9 |
|
F |
49 |
12 |
10332 |
◊ |
C |
-y+2,x-y+2,z |
3_775 |
47 |
14 |
10267 |
418.4 |
-0.4 |
0.746 |
3 |
1 |
0 |
0.000 |
10 |
|
E |
41 |
12 |
10263 |
◊ |
D |
-y+2,x-y+2,z |
3_775 |
48 |
11 |
10179 |
389.0 |
0.4 |
0.760 |
4 |
3 |
0 |
0.000 |
| Average: |
403.7 |
-0.0 |
0.753 |
4 |
2 |
0 |
0.000 |
| 4 |
11 |
|
D |
24 |
8 |
10179 |
◊ |
C |
x-y+1,-y+2,-z |
7_675 |
34 |
12 |
10267 |
264.5 |
0.5 |
0.748 |
3 |
2 |
0 |
0.000 |
| 5 |
12 |
|
G |
25 |
9 |
10258 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
10332 |
237.6 |
-0.3 |
0.698 |
2 |
2 |
0 |
0.009 |
13 |
|
G |
34 |
11 |
10258 |
◊ |
B |
-y+2,-x+2,-z+1/2 |
8_775 |
19 |
8 |
10243 |
226.6 |
0.1 |
0.734 |
1 |
2 |
0 |
0.009 |
| Average: |
232.1 |
-0.1 |
0.716 |
2 |
2 |
0 |
0.009 |
| 6 |
14 |
|
F |
22 |
6 |
10332 |
◊ |
E |
-x+2,-x+y+1,-z |
9_765 |
31 |
9 |
10263 |
228.8 |
2.7 |
0.895 |
5 |
4 |
0 |
0.000 |
| 7 |
15 |
|
[K]B:247 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
10243 |
128.8 |
-91.3 |
0.000 |
0 |
0 |
0 |
0.461 |
| 8 |
16 |
|
[K]F:247 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
21 |
13 |
10332 |
128.5 |
-92.5 |
0.000 |
0 |
0 |
0 |
0.570 |
17 |
|
[K]C:247 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
10267 |
126.2 |
-92.9 |
0.000 |
0 |
0 |
0 |
0.570 |
18 |
|
[K]D:248 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
10179 |
122.3 |
-91.7 |
0.000 |
0 |
0 |
0 |
0.570 |
| Average: |
125.7 |
-92.4 |
0.000 |
0 |
0 |
0 |
0.570 |
| 9 |
19 |
|
[EDO]E:250 |
4 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
10263 |
117.4 |
3.1 |
0.591 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:247 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
10332 |
114.7 |
3.1 |
0.604 |
3 |
0 |
0 |
0.000 |
| Average: |
116.0 |
3.1 |
0.598 |
3 |
0 |
0 |
0.000 |
| 10 |
21 |
|
[EDO]G:249 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
24 |
11 |
10258 |
117.0 |
3.6 |
0.624 |
3 |
0 |
0 |
0.000 |
22 |
|
[EDO]C:249 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
10267 |
116.5 |
3.6 |
0.641 |
3 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:250 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
10243 |
116.2 |
3.6 |
0.643 |
3 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:249 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
10332 |
116.1 |
2.6 |
0.428 |
3 |
0 |
0 |
0.000 |
25 |
|
[EDO]D:250 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
22 |
11 |
10179 |
115.1 |
3.8 |
0.658 |
3 |
0 |
0 |
0.000 |
| Average: |
116.2 |
3.4 |
0.599 |
3 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[EDO]F:248 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
23 |
11 |
10332 |
115.1 |
3.7 |
0.651 |
3 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[EDO]E:249 |
4 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
22 |
10 |
10263 |
114.6 |
3.6 |
0.628 |
3 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[EDO]D:252 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
10179 |
111.7 |
4.1 |
0.553 |
3 |
0 |
0 |
0.000 |
| 14 |
29 |
|
[EDO]C:250 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
10267 |
111.6 |
3.9 |
0.552 |
2 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[EDO]F:250 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
8 |
10332 |
111.0 |
3.9 |
0.552 |
2 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[EDO]G:250 |
4 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
14 |
7 |
10258 |
110.7 |
4.1 |
0.547 |
2 |
0 |
0 |
0.000 |
| 17 |
32 |
|
[EDO]B:249 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
10243 |
109.3 |
3.9 |
0.688 |
3 |
0 |
0 |
0.000 |
33 |
|
[EDO]G:248 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
19 |
8 |
10258 |
107.7 |
3.9 |
0.677 |
4 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:248 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
10332 |
100.3 |
3.6 |
0.689 |
4 |
0 |
0 |
0.000 |
35 |
|
[EDO]E:248 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
10263 |
99.8 |
3.5 |
0.669 |
4 |
0 |
0 |
0.000 |
36 |
|
[EDO]C:248 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
10267 |
93.8 |
3.3 |
0.679 |
4 |
0 |
0 |
0.000 |
| Average: |
102.2 |
3.7 |
0.680 |
4 |
0 |
0 |
0.000 |
| 18 |
37 |
|
[EDO]E:251 |
4 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
10263 |
108.6 |
4.3 |
0.543 |
2 |
0 |
0 |
0.000 |
| 19 |
38 |
|
[EDO]E:252 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
10263 |
102.9 |
3.1 |
0.486 |
2 |
0 |
0 |
0.000 |
| 20 |
39 |
|
[EDO]G:251 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
15 |
4 |
10258 |
98.0 |
3.1 |
0.499 |
2 |
0 |
0 |
0.000 |
| 21 |
40 |
|
[EDO]A:250 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
10332 |
94.8 |
2.7 |
0.435 |
1 |
0 |
0 |
0.000 |
| 22 |
41 |
|
[EDO]A:251 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10332 |
93.5 |
3.1 |
0.491 |
0 |
0 |
0 |
0.000 |
| 23 |
42 |
|
[EDO]D:251 |
4 |
1 |
186 |
◊ |
C |
x-y+1,-y+2,-z |
7_675 |
13 |
4 |
10267 |
93.1 |
2.9 |
0.422 |
1 |
0 |
0 |
0.000 |
| 24 |
43 |
|
[EDO]D:249 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
10179 |
91.1 |
3.1 |
0.679 |
4 |
0 |
0 |
0.000 |
| 25 |
44 |
|
[EDO]F:251 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
10332 |
90.2 |
3.3 |
0.670 |
4 |
0 |
0 |
0.000 |
| 26 |
45 |
|
[EDO]F:252 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
10332 |
89.6 |
2.3 |
0.409 |
0 |
0 |
0 |
0.000 |
| 27 |
46 |
|
[K]B:248 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
10 |
4 |
10243 |
87.5 |
-55.2 |
0.000 |
0 |
0 |
0 |
0.987 |
47 |
|
[K]E:247 |
1 |
1 |
216 |
x |
F |
x,y,z |
1_555 |
11 |
4 |
10332 |
86.5 |
-54.4 |
0.000 |
0 |
0 |
0 |
0.987 |
48 |
|
[K]E:247 |
1 |
1 |
216 |
x |
E |
x,y,z |
1_555 |
9 |
4 |
10263 |
84.6 |
-52.6 |
0.000 |
0 |
0 |
0 |
0.987 |
49 |
|
[K]G:247 |
1 |
1 |
216 |
x |
G |
x,y,z |
1_555 |
11 |
4 |
10258 |
84.3 |
-52.5 |
0.000 |
0 |
0 |
0 |
0.987 |
50 |
|
[K]D:247 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
9 |
4 |
10179 |
84.1 |
-52.7 |
0.000 |
0 |
0 |
0 |
0.987 |
51 |
|
[K]D:247 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
9 |
4 |
10267 |
82.4 |
-50.6 |
0.000 |
0 |
0 |
0 |
0.987 |
52 |
|
[K]B:248 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
11 |
4 |
10332 |
80.9 |
-49.6 |
0.000 |
0 |
0 |
0 |
0.987 |
| Average: |
84.3 |
-52.5 |
0.000 |
0 |
0 |
0 |
0.987 |
| 28 |
53 |
|
[EDO]F:249 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
10332 |
73.3 |
1.4 |
0.645 |
1 |
0 |
0 |
0.000 |
| 29 |
54 |
|
[EDO]F:249 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
10332 |
70.1 |
1.5 |
0.224 |
1 |
0 |
0 |
0.000 |
| 30 |
55 |
|
B |
8 |
4 |
10243 |
◊ |
A |
-y+2,-x+2,-z+1/2 |
8_775 |
5 |
3 |
10332 |
59.5 |
0.7 |
0.785 |
1 |
0 |
0 |
0.000 |
| 31 |
56 |
|
[EDO]D:251 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
10179 |
53.9 |
1.0 |
0.830 |
2 |
0 |
0 |
0.000 |
| 32 |
57 |
|
[EDO]A:250 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
10258 |
50.5 |
1.7 |
0.904 |
1 |
0 |
0 |
0.000 |
| 33 |
58 |
|
[EDO]G:251 |
4 |
1 |
185 |
f |
B |
-y+2,-x+2,-z+1/2 |
8_775 |
6 |
2 |
10243 |
45.9 |
1.8 |
0.921 |
0 |
0 |
0 |
0.000 |
| 34 |
59 |
|
[EDO]F:252 |
4 |
1 |
186 |
f |
C |
-y+2,x-y+2,z |
3_775 |
6 |
3 |
10267 |
42.8 |
0.4 |
0.624 |
0 |
0 |
0 |
0.000 |
| 35 |
60 |
|
[K]D:248 |
1 |
1 |
216 |
f |
[EDO]D:249 |
x,y,z |
1_555 |
2 |
1 |
185 |
33.8 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.071 |
61 |
|
[K]F:247 |
1 |
1 |
216 |
f |
[EDO]F:251 |
x,y,z |
1_555 |
2 |
1 |
185 |
32.9 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
33.4 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.071 |
| 36 |
62 |
|
[K]C:247 |
1 |
1 |
216 |
f |
[EDO]C:248 |
x,y,z |
1_555 |
3 |
1 |
186 |
30.6 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.043 |
| 37 |
63 |
|
[EDO]A:248 |
3 |
1 |
186 |
f |
[EDO]A:247 |
x,y,z |
1_555 |
2 |
1 |
186 |
20.0 |
0.6 |
1.000 |
1 |
0 |
0 |
0.000 |
| 38 |
64 |
|
[EDO]E:250 |
1 |
1 |
187 |
f |
[EDO]E:248 |
x,y,z |
1_555 |
3 |
1 |
184 |
19.5 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
| 39 |
65 |
|
[K]C:247 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10179 |
3.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
66 |
|
[K]D:248 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10267 |
2.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
67 |
|
[K]F:247 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10263 |
1.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
2.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
|