| ## |
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 |
199 |
53 |
17191 |
◊ |
A |
x,y,z |
1_555 |
203 |
53 |
17313 |
1969.0 |
-26.1 |
0.044 |
26 |
0 |
0 |
1.000 |
| 2 |
2 |
|
B |
172 |
45 |
17191 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
6_765 |
168 |
44 |
17191 |
1767.8 |
-17.3 |
0.209 |
28 |
14 |
0 |
1.000 |
3 |
|
A |
174 |
45 |
17313 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
169 |
45 |
17313 |
1713.1 |
-18.0 |
0.152 |
26 |
18 |
0 |
1.000 |
| Average: |
1740.4 |
-17.6 |
0.180 |
27 |
16 |
0 |
1.000 |
| 3 |
4 |
|
A |
49 |
14 |
17313 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
55 |
15 |
17191 |
458.9 |
-3.4 |
0.475 |
6 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
23 |
6 |
17191 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
20 |
5 |
17313 |
157.0 |
-1.9 |
0.373 |
0 |
0 |
0 |
0.113 |
| 5 |
6 |
|
[PEG]A:428 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17313 |
136.0 |
2.6 |
0.320 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[PEG]A:427 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17313 |
123.7 |
1.4 |
0.208 |
0 |
0 |
0 |
0.000 |
8 |
|
[PEG]B:420 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17191 |
115.6 |
1.1 |
0.185 |
0 |
0 |
0 |
0.000 |
| Average: |
119.6 |
1.2 |
0.197 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]B:414 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
17191 |
122.6 |
2.8 |
0.451 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]A:415 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
17313 |
121.3 |
3.1 |
0.465 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]B:412 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
17191 |
113.4 |
2.6 |
0.435 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]A:420 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
17313 |
113.0 |
2.6 |
0.390 |
2 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:411 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
17313 |
112.7 |
3.8 |
0.680 |
2 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:416 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
17191 |
109.7 |
3.9 |
0.553 |
3 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]B:415 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
17191 |
107.4 |
3.1 |
0.522 |
4 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]B:411 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
17191 |
106.7 |
3.6 |
0.686 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]B:413 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17191 |
106.5 |
4.0 |
0.716 |
3 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]A:425 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17313 |
104.9 |
3.2 |
0.481 |
6 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]A:413 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
17313 |
101.2 |
3.8 |
0.724 |
4 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]A:422 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17313 |
99.8 |
2.9 |
0.300 |
6 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]A:416 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
17313 |
99.7 |
3.5 |
0.546 |
3 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]B:410 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
17191 |
98.8 |
3.4 |
0.540 |
3 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]B:417 |
4 |
1 |
180 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
17191 |
98.3 |
2.7 |
0.303 |
6 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[PGE]B:421 |
10 |
1 |
341 |
◊ |
[PGE]B:421 |
-x+2,-x+y+1,-z+1/3 |
6_765 |
10 |
1 |
341 |
96.7 |
4.1 |
0.057 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]A:419 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17313 |
96.4 |
2.3 |
0.442 |
5 |
0 |
0 |
0.015 |
26 |
|
[EDO]B:419 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
17191 |
96.2 |
2.3 |
0.437 |
6 |
0 |
0 |
0.015 |
| Average: |
96.3 |
2.3 |
0.440 |
6 |
0 |
0 |
0.015 |
| 24 |
27 |
|
[PGE]A:429 |
10 |
1 |
334 |
◊ |
[PGE]A:429 |
-x+2,-x+y+1,-z+1/3 |
6_765 |
10 |
1 |
334 |
95.2 |
4.1 |
0.080 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[EDO]A:423 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17313 |
87.7 |
2.5 |
0.446 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]A:412 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
17313 |
80.5 |
1.5 |
0.243 |
1 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]A:412 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
17191 |
77.9 |
1.7 |
0.248 |
1 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[EDO]B:409 |
4 |
1 |
184 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
6_765 |
12 |
4 |
17191 |
76.8 |
2.0 |
0.275 |
2 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:410 |
4 |
1 |
185 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
11 |
3 |
17313 |
75.7 |
1.9 |
0.272 |
2 |
0 |
0 |
0.000 |
| Average: |
76.2 |
1.9 |
0.274 |
2 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[EDO]A:417 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17313 |
74.8 |
2.3 |
0.282 |
3 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[EDO]B:418 |
4 |
1 |
184 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
6_765 |
13 |
5 |
17191 |
67.5 |
2.0 |
0.465 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[PGE]B:421 |
6 |
1 |
341 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
6_765 |
12 |
4 |
17191 |
65.6 |
1.9 |
0.398 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[PGE]A:429 |
6 |
1 |
334 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
15 |
4 |
17313 |
65.4 |
1.6 |
0.396 |
2 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[PGE]B:421 |
6 |
1 |
341 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
17191 |
64.7 |
1.2 |
0.288 |
1 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[EDO]A:414 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17313 |
64.2 |
1.9 |
0.301 |
1 |
0 |
0 |
0.000 |
| 35 |
39 |
|
[EDO]A:418 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
17313 |
63.8 |
1.1 |
0.351 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
[EDO]B:418 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
17191 |
62.8 |
1.7 |
0.305 |
2 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[EDO]A:421 |
4 |
1 |
181 |
f |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
13 |
5 |
17313 |
62.7 |
1.5 |
0.279 |
1 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[PGE]A:429 |
7 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
17313 |
62.0 |
0.8 |
0.194 |
1 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[EDO]A:424 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
17313 |
61.6 |
1.6 |
0.263 |
1 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[EDO]A:418 |
4 |
1 |
184 |
f |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
7 |
5 |
17313 |
58.8 |
0.9 |
0.157 |
1 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[EDO]A:410 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17313 |
58.6 |
2.3 |
0.980 |
3 |
0 |
0 |
0.000 |
46 |
|
[EDO]B:409 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
17191 |
56.1 |
2.2 |
0.979 |
3 |
0 |
0 |
0.000 |
| Average: |
57.3 |
2.2 |
0.980 |
3 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[EDO]A:421 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17313 |
56.9 |
1.8 |
0.303 |
1 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[EDO]A:426 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
17313 |
55.3 |
1.6 |
0.929 |
2 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[PGE]B:421 |
6 |
1 |
341 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
17313 |
51.7 |
0.2 |
0.118 |
1 |
0 |
0 |
0.012 |
| 45 |
50 |
|
[PGE]A:429 |
7 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
17191 |
48.1 |
0.4 |
0.137 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[PGE]B:421 |
6 |
1 |
341 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
7 |
2 |
17313 |
48.0 |
0.6 |
0.152 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[PGE]A:429 |
7 |
1 |
334 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
6_765 |
7 |
2 |
17191 |
47.2 |
0.6 |
0.139 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[EDO]A:414 |
4 |
1 |
184 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
8 |
3 |
17191 |
42.9 |
1.0 |
0.842 |
1 |
0 |
0 |
0.000 |
| 49 |
54 |
|
A |
10 |
6 |
17313 |
◊ |
B |
x-y,-y+1,-z+2/3 |
5_565 |
6 |
2 |
17191 |
42.6 |
-0.4 |
0.548 |
0 |
0 |
0 |
0.000 |
| 50 |
55 |
|
[EDO]A:418 |
4 |
1 |
184 |
◊ |
[EDO]A:418 |
-x+2,-x+y+1,-z+1/3 |
6_765 |
4 |
1 |
184 |
42.1 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[EDO]B:417 |
4 |
1 |
180 |
◊ |
B |
-x+2,-x+y+1,-z+1/3 |
6_765 |
5 |
2 |
17191 |
41.6 |
0.8 |
0.616 |
0 |
0 |
0 |
0.000 |
| 52 |
57 |
|
[EDO]A:424 |
3 |
1 |
181 |
f |
B |
-y+1,x-y,z+1/3 |
2_655 |
9 |
3 |
17191 |
41.3 |
0.8 |
0.883 |
4 |
0 |
0 |
0.056 |
| 53 |
58 |
|
[EDO]A:422 |
4 |
1 |
184 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
5 |
2 |
17313 |
40.0 |
0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
| 54 |
59 |
|
[EDO]A:424 |
4 |
1 |
181 |
◊ |
[EDO]A:414 |
x,y,z |
1_555 |
3 |
1 |
184 |
38.4 |
2.4 |
0.354 |
0 |
0 |
0 |
0.000 |
| 55 |
60 |
|
[EDO]A:424 |
2 |
1 |
181 |
◊ |
[EDO]A:423 |
x,y,z |
1_555 |
3 |
1 |
184 |
33.6 |
1.4 |
0.707 |
0 |
0 |
0 |
0.000 |
| 56 |
61 |
|
[EDO]A:421 |
2 |
1 |
181 |
◊ |
[EDO]A:421 |
-x+2,-x+y+1,-z+1/3 |
6_765 |
2 |
1 |
181 |
32.1 |
2.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 57 |
62 |
|
[CA]A:409 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17313 |
29.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.275 |
| 58 |
63 |
|
[EDO]B:412 |
3 |
1 |
185 |
f |
[EDO]B:411 |
x,y,z |
1_555 |
2 |
1 |
183 |
28.0 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
| 59 |
64 |
|
[EDO]A:423 |
2 |
1 |
184 |
f |
[EDO]A:414 |
x,y,z |
1_555 |
2 |
1 |
184 |
26.7 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 60 |
65 |
|
A |
2 |
1 |
17313 |
x |
A |
-y+1,x-y,z+1/3 |
2_655 |
5 |
2 |
17313 |
25.6 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| 61 |
66 |
|
[EDO]A:417 |
3 |
1 |
184 |
f |
[EDO]A:416 |
x,y,z |
1_555 |
3 |
1 |
184 |
22.4 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 62 |
67 |
|
[EDO]B:418 |
3 |
1 |
184 |
f |
[EDO]B:418 |
-x+2,-x+y+1,-z+1/3 |
6_765 |
3 |
1 |
184 |
22.3 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 63 |
68 |
|
[CA]A:409 |
1 |
1 |
85 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
5 |
4 |
17191 |
21.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
69 |
|
[EDO]A:413 |
1 |
1 |
183 |
f |
B |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
17191 |
19.9 |
0.3 |
0.834 |
0 |
0 |
0 |
0.000 |
| 65 |
70 |
|
[EDO]B:417 |
2 |
1 |
180 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17313 |
11.2 |
0.4 |
0.924 |
0 |
0 |
0 |
0.000 |
| 66 |
71 |
|
[EDO]A:422 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17191 |
7.4 |
0.2 |
0.912 |
0 |
0 |
0 |
0.000 |
| 67 |
72 |
|
[PEG]A:428 |
2 |
1 |
260 |
f |
[PEG]A:427 |
x,y,z |
1_555 |
3 |
1 |
257 |
5.7 |
0.3 |
0.124 |
0 |
0 |
0 |
0.000 |
|