| ## |
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 |
151 |
40 |
15355 |
x |
B |
-y+2,x-y+1,z |
2_765 |
160 |
41 |
15355 |
1515.9 |
-12.0 |
0.120 |
27 |
7 |
0 |
0.248 |
2 |
|
A |
164 |
41 |
15609 |
x |
A |
-y+2,x-y+1,z |
2_765 |
149 |
43 |
15609 |
1486.4 |
-12.3 |
0.130 |
27 |
8 |
0 |
0.248 |
| Average: |
1501.2 |
-12.2 |
0.125 |
27 |
8 |
0 |
0.248 |
| 2 |
3 |
|
A |
99 |
29 |
15609 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
100 |
29 |
15609 |
992.7 |
15.2 |
0.989 |
10 |
20 |
0 |
0.000 |
| 3 |
4 |
|
B |
81 |
24 |
15355 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
15609 |
805.2 |
-10.5 |
0.066 |
8 |
0 |
0 |
0.063 |
| 4 |
5 |
|
B |
51 |
21 |
15355 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
51 |
21 |
15355 |
475.0 |
3.4 |
0.823 |
4 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
38 |
9 |
15355 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
38 |
9 |
15609 |
338.3 |
-7.5 |
0.051 |
0 |
0 |
0 |
0.027 |
| 6 |
7 |
|
B |
31 |
8 |
15355 |
◊ |
B |
x-y+1,-y+2,-z |
5_675 |
31 |
8 |
15355 |
300.5 |
1.3 |
0.712 |
6 |
2 |
0 |
0.000 |
| 7 |
8 |
|
B |
24 |
6 |
15355 |
◊ |
B |
-x+2,-x+y+1,-z |
6_765 |
23 |
6 |
15355 |
216.9 |
4.1 |
0.907 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[MPD]B:1298 |
7 |
1 |
275 |
f |
B |
x,y,z |
1_555 |
29 |
9 |
15355 |
149.6 |
-8.0 |
0.863 |
5 |
0 |
0 |
0.073 |
| 9 |
10 |
|
[MPD]B:1297 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
15355 |
146.5 |
-8.7 |
0.704 |
4 |
0 |
0 |
0.094 |
11 |
|
[MPD]A:1298 |
7 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
15609 |
142.2 |
-8.4 |
0.730 |
3 |
0 |
0 |
0.094 |
| Average: |
144.3 |
-8.5 |
0.717 |
4 |
0 |
0 |
0.094 |
| 10 |
12 |
|
[MPD]A:1300 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
15609 |
146.5 |
-8.1 |
0.850 |
4 |
0 |
0 |
0.096 |
| 11 |
13 |
|
[MPD]B:1299 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
15355 |
142.6 |
-8.8 |
0.723 |
2 |
0 |
0 |
0.070 |
| 12 |
14 |
|
[MRD]A:1299 |
6 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
15609 |
104.5 |
0.4 |
0.318 |
2 |
0 |
0 |
0.005 |
| 13 |
15 |
|
[IMD]B:1288 |
5 |
1 |
198 |
◊ |
B |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
13 |
6 |
15355 |
96.1 |
3.6 |
0.350 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[IMD]A:1288 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
15609 |
94.9 |
3.2 |
0.240 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
A |
15 |
6 |
15609 |
◊ |
A |
-x+2,-x+y+1,-z+1 |
6_766 |
15 |
6 |
15609 |
83.9 |
0.7 |
0.691 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[CL]B:1291 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15355 |
77.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.074 |
| 17 |
19 |
|
[CL]B:1289 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15355 |
72.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.117 |
20 |
|
[CL]A:1293 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15609 |
71.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
72.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.117 |
| 18 |
21 |
|
[CL]A:1007 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
15609 |
70.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.096 |
| 19 |
22 |
|
[IMD]B:1288 |
5 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
15355 |
70.4 |
1.6 |
0.109 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
9 |
2 |
15355 |
x |
B |
-x+5/3,-x+y+1/3,-z+1/3 |
12_655 |
6 |
5 |
15355 |
69.6 |
-0.3 |
0.349 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[CL]A:1291 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15609 |
66.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.100 |
25 |
|
[CL]B:1290 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
15355 |
65.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
65.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 22 |
26 |
|
[CL]B:1292 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15355 |
62.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.064 |
| 23 |
27 |
|
[CL]A:1292 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15609 |
62.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.075 |
| 24 |
28 |
|
[IMD]A:1289 |
4 |
1 |
198 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
9 |
3 |
15609 |
57.2 |
1.4 |
0.185 |
1 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[MG]A:1294 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15609 |
53.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.061 |
30 |
|
[MG]B:1294 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
15355 |
52.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.061 |
| Average: |
52.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.061 |
| 26 |
31 |
|
[MG]B:1295 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15355 |
52.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.060 |
| 27 |
32 |
|
[MG]A:1296 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
15609 |
52.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.070 |
| 28 |
33 |
|
[IMD]A:1289 |
4 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15609 |
50.2 |
0.9 |
0.103 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[MG]B:1293 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15355 |
48.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.060 |
| 30 |
35 |
|
[MG]B:1296 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15355 |
44.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.044 |
| 31 |
36 |
|
[MG]A:1297 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15609 |
41.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.047 |
| 32 |
37 |
|
[MG]A:1295 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
15609 |
41.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[CL]B:1009 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
15355 |
41.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.031 |
| 34 |
39 |
|
[MG]B:1118 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15355 |
33.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| 35 |
40 |
|
[CL]B:1009 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15609 |
32.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 36 |
41 |
|
[MPD]B:1297 |
1 |
1 |
280 |
◊ |
[MPD]A:1298 |
x,y,z |
1_555 |
2 |
1 |
283 |
28.3 |
-2.7 |
0.836 |
0 |
0 |
0 |
0.012 |
| 37 |
42 |
|
[MG]B:1118 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15609 |
27.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| 38 |
43 |
|
[MPD]A:1298 |
3 |
1 |
283 |
◊ |
[CL]B:1009 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.017 |
| 39 |
44 |
|
[MRD]A:1299 |
1 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15355 |
25.2 |
0.8 |
0.622 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[MPD]B:1297 |
2 |
1 |
280 |
f |
[CL]B:1009 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| 41 |
46 |
|
[CL]B:1292 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15609 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| 42 |
47 |
|
[MG]B:1293 |
1 |
1 |
98 |
f |
[CL]B:1292 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 43 |
48 |
|
[MPD]B:1299 |
2 |
1 |
277 |
◊ |
B |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
15355 |
12.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
A |
1 |
1 |
15609 |
◊ |
B |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
15355 |
5.5 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[MPD]B:1297 |
1 |
1 |
280 |
f |
[CL]B:1292 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 46 |
51 |
|
[IMD]B:1288 |
1 |
1 |
198 |
f |
B |
-x+5/3,-x+y+1/3,-z+1/3 |
12_655 |
1 |
1 |
15355 |
5.2 |
-0.0 |
0.258 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
A |
1 |
1 |
15609 |
x |
A |
x-y+1/3,-y+5/3,-z+2/3 |
17_565 |
1 |
1 |
15609 |
4.4 |
-0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[MG]A:1294 |
1 |
1 |
98 |
f |
[CL]A:1293 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.008 |
| 49 |
54 |
|
B |
1 |
1 |
15355 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
2 |
1 |
15609 |
3.9 |
-0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
| 50 |
55 |
|
[MPD]B:1298 |
1 |
1 |
275 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15609 |
2.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[MPD]B:1299 |
1 |
1 |
277 |
f |
[CL]B:1291 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 52 |
57 |
|
A |
1 |
1 |
15609 |
f |
[IMD]A:1289 |
x-y+1/3,-y+5/3,-z+2/3 |
17_565 |
1 |
1 |
198 |
2.3 |
0.0 |
0.293 |
0 |
0 |
0 |
0.000 |
| 53 |
58 |
|
[MPD]A:1298 |
2 |
1 |
283 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15355 |
2.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
59 |
|
A |
1 |
1 |
15609 |
◊ |
[MG]A:1294 |
-y+2,x-y+1,z |
2_765 |
1 |
1 |
98 |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 55 |
60 |
|
[MG]B:1294 |
1 |
1 |
98 |
f |
[CL]B:1289 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
|