| ## |
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 |
|
D |
224 |
54 |
14386 |
◊ |
D |
-x,-x+y,-z+1/3 |
5_555 |
222 |
54 |
14386 |
2199.9 |
-30.5 |
0.034 |
24 |
4 |
0 |
0.000 |
2 |
|
A |
221 |
56 |
14063 |
◊ |
A |
-x,-x+y,-z+1/3 |
5_555 |
221 |
56 |
14063 |
2096.7 |
-26.2 |
0.074 |
28 |
2 |
0 |
0.000 |
| Average: |
2148.3 |
-28.3 |
0.054 |
26 |
3 |
0 |
0.000 |
| 2 |
3 |
|
D |
108 |
31 |
14386 |
◊ |
A |
x,y,z |
1_555 |
106 |
31 |
14063 |
1075.9 |
-7.8 |
0.438 |
24 |
12 |
0 |
0.307 |
| 3 |
4 |
|
D |
57 |
18 |
14386 |
◊ |
A |
-x,-x+y,-z+1/3 |
5_555 |
46 |
14 |
14063 |
427.9 |
9.1 |
0.992 |
13 |
6 |
0 |
0.000 |
| 4 |
5 |
|
D |
44 |
14 |
14386 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
36 |
12 |
14063 |
306.4 |
-2.0 |
0.544 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
D |
15 |
5 |
14386 |
x |
D |
-y+1,x-y+1,z+1/3 |
2_665 |
17 |
6 |
14386 |
162.1 |
0.2 |
0.667 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[PEG]A:1318 |
7 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
14386 |
146.9 |
3.6 |
0.482 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[PEG]A:1320 |
7 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14063 |
125.2 |
1.7 |
0.248 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[PEG]A:1319 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14063 |
117.7 |
3.8 |
0.394 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[PEG]D:1319 |
7 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
14386 |
117.0 |
3.2 |
0.388 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[ACT]A:1316 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
14063 |
113.0 |
-0.6 |
0.680 |
3 |
0 |
0 |
0.069 |
| 11 |
12 |
|
[ACT]D:1317 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
14386 |
105.6 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.004 |
| 12 |
13 |
|
[ACT]A:1317 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14063 |
105.1 |
-1.4 |
0.479 |
1 |
0 |
0 |
0.068 |
| 13 |
14 |
|
[ACT]D:1318 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
14386 |
103.1 |
-1.3 |
0.532 |
2 |
0 |
0 |
0.069 |
| 14 |
15 |
|
D |
11 |
3 |
14386 |
◊ |
D |
x-y+1,-y+2,-z+2/3 |
6_675 |
11 |
3 |
14386 |
89.5 |
0.5 |
0.752 |
2 |
0 |
0 |
0.006 |
| 15 |
16 |
|
[ACT]D:1316 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
14386 |
86.6 |
-0.8 |
0.575 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
A |
8 |
3 |
14063 |
◊ |
A |
y,x,-z |
4_555 |
8 |
3 |
14063 |
74.6 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
A |
10 |
4 |
14063 |
◊ |
D |
-y+1,x-y+1,z+1/3 |
2_665 |
8 |
4 |
14386 |
72.3 |
2.4 |
0.900 |
3 |
1 |
0 |
0.000 |
| 18 |
19 |
|
[CD]A:1311 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14063 |
52.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.198 |
20 |
|
[CD]D:1311 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
14386 |
43.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
48.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.198 |
| 19 |
21 |
|
D |
9 |
5 |
14386 |
f |
[CD]D:1313 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
112 |
49.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.185 |
| 20 |
22 |
|
A |
5 |
2 |
14063 |
◊ |
D |
y-1,x,-z |
4_455 |
3 |
2 |
14386 |
49.2 |
1.1 |
0.884 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[CD]D:1312 |
1 |
1 |
112 |
x |
D |
x,y,z |
1_555 |
8 |
3 |
14386 |
48.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.301 |
24 |
|
[CD]A:1312 |
1 |
1 |
112 |
x |
A |
x,y,z |
1_555 |
9 |
4 |
14063 |
44.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.301 |
| Average: |
46.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.301 |
| 22 |
25 |
|
[CD]D:1312 |
1 |
1 |
112 |
f |
[CD]D:1312 |
x-y+1,-y+2,-z+2/3 |
6_675 |
1 |
1 |
112 |
48.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.125 |
| 23 |
26 |
|
[CL]A:1315 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14063 |
44.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.181 |
| 24 |
27 |
|
A |
8 |
5 |
14063 |
◊ |
[ACT]D:1316 |
-y+1,x-y+1,z+1/3 |
2_665 |
3 |
1 |
181 |
44.4 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[CD]D:1315 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
14386 |
44.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.123 |
| 26 |
29 |
|
[ACT]D:1317 |
3 |
1 |
183 |
◊ |
D |
-x,-x+y,-z+1/3 |
5_555 |
6 |
2 |
14386 |
43.6 |
0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[CD]A:1313 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14063 |
41.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[CD]A:1313 |
1 |
1 |
112 |
◊ |
D |
-y+1,x-y+1,z+1/3 |
2_665 |
8 |
2 |
14386 |
37.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
39.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[CD]A:1310 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
14386 |
40.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.121 |
33 |
|
[CD]D:1310 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14063 |
37.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
38.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.121 |
| 29 |
34 |
|
[PEG]A:1318 |
3 |
1 |
260 |
◊ |
D |
-x,-x+y,-z+1/3 |
5_555 |
5 |
2 |
14386 |
38.1 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
A |
6 |
3 |
14063 |
x |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
3 |
14063 |
38.1 |
0.7 |
0.799 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[CD]A:1314 |
1 |
1 |
112 |
f |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
8 |
4 |
14063 |
37.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.123 |
| 32 |
37 |
|
[CD]D:1310 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14386 |
37.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.096 |
38 |
|
[CD]A:1310 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14063 |
37.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
37.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.096 |
| 33 |
39 |
|
[CD]D:1314 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14386 |
37.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[CD]D:1314 |
1 |
1 |
112 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
14063 |
19.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
28.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[CD]D:1313 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14386 |
35.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
42 |
|
[ACT]A:1317 |
3 |
1 |
181 |
f |
[CD]A:1311 |
x,y,z |
1_555 |
1 |
1 |
112 |
34.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.104 |
43 |
|
[ACT]D:1318 |
3 |
1 |
182 |
f |
[CD]D:1311 |
x,y,z |
1_555 |
1 |
1 |
112 |
30.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
32.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.104 |
| 36 |
44 |
|
[PEG]D:1319 |
2 |
1 |
259 |
◊ |
[PEG]A:1318 |
-x,-x+y,-z+1/3 |
5_555 |
3 |
1 |
260 |
29.8 |
0.9 |
0.225 |
1 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[PEG]D:1319 |
2 |
1 |
259 |
f |
[CD]D:1311 |
x,y,z |
1_555 |
1 |
1 |
112 |
25.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| 38 |
46 |
|
[CL]A:1315 |
1 |
1 |
125 |
◊ |
A |
-x,-x+y,-z+1/3 |
5_555 |
2 |
1 |
14063 |
21.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[CD]A:1314 |
1 |
1 |
112 |
◊ |
D |
-y+1,x-y+1,z+1/3 |
2_665 |
4 |
1 |
14386 |
18.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 40 |
48 |
|
[CD]A:1314 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
14386 |
16.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 41 |
49 |
|
[CD]D:1310 |
1 |
1 |
112 |
◊ |
D |
-x,-x+y,-z+1/3 |
5_555 |
2 |
1 |
14386 |
16.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[CD]A:1310 |
1 |
1 |
112 |
◊ |
A |
-x,-x+y,-z+1/3 |
5_555 |
3 |
2 |
14063 |
16.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
16.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
[CD]A:1313 |
1 |
1 |
112 |
f |
[ACT]D:1316 |
-y+1,x-y+1,z+1/3 |
2_665 |
1 |
1 |
181 |
15.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 43 |
52 |
|
D |
1 |
1 |
14386 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
3 |
1 |
14063 |
15.5 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
[PEG]D:1319 |
1 |
1 |
259 |
f |
[ACT]D:1318 |
x,y,z |
1_555 |
2 |
1 |
182 |
6.7 |
0.3 |
0.463 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[PEG]D:1319 |
1 |
1 |
259 |
◊ |
D |
-x,-x+y,-z+1/3 |
5_555 |
3 |
2 |
14386 |
5.1 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 46 |
55 |
|
[ACT]D:1317 |
1 |
1 |
183 |
f |
[CD]A:1310 |
x,y,z |
1_555 |
1 |
1 |
112 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| 47 |
56 |
|
D |
1 |
1 |
14386 |
◊ |
A |
x-y,-y+1,-z+2/3 |
6_565 |
1 |
1 |
14063 |
2.7 |
0.1 |
0.816 |
0 |
0 |
0 |
0.000 |
| 48 |
57 |
|
[CD]D:1314 |
1 |
1 |
112 |
f |
A |
x-y,-y+1,-z+2/3 |
6_565 |
1 |
1 |
14063 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.002 |
|