| ## |
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 |
202 |
56 |
14597 |
◊ |
A |
x,y,z |
1_555 |
200 |
60 |
14863 |
1918.2 |
-27.6 |
0.019 |
20 |
6 |
0 |
0.342 |
| 2 |
2 |
|
B |
89 |
26 |
14597 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
89 |
27 |
14597 |
777.3 |
6.1 |
0.975 |
12 |
8 |
0 |
0.000 |
| 3 |
3 |
|
A |
66 |
19 |
14863 |
x |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
48 |
16 |
14863 |
479.9 |
-0.4 |
0.615 |
9 |
2 |
0 |
0.000 |
| 4 |
4 |
|
[P6G]A:404 |
19 |
1 |
531 |
f |
A |
x,y,z |
1_555 |
33 |
14 |
14863 |
292.2 |
-2.3 |
0.182 |
0 |
0 |
0 |
0.021 |
| 5 |
5 |
|
B |
28 |
10 |
14597 |
◊ |
A |
y,x-1,-z |
7_545 |
28 |
9 |
14863 |
247.7 |
0.9 |
0.592 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[PGE]B:402 |
10 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
14597 |
174.2 |
5.6 |
0.413 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[PGE]A:403 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
14863 |
170.8 |
5.5 |
0.347 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[PG4]B:404 |
13 |
1 |
404 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
14597 |
157.7 |
4.5 |
0.310 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[PEG]A:401 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
21 |
11 |
14863 |
151.5 |
3.1 |
0.370 |
3 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[PEG]B:396 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
14597 |
146.8 |
2.3 |
0.249 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
A |
21 |
7 |
14863 |
◊ |
[PGE]B:401 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
10 |
1 |
329 |
145.5 |
2.8 |
0.184 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PG4]B:405 |
10 |
1 |
411 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
14597 |
140.9 |
2.2 |
0.289 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[PEG]B:398 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
14597 |
130.2 |
2.3 |
0.298 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[PEG]A:396 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
14863 |
127.1 |
3.6 |
0.385 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[PEG]A:397 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
14863 |
120.0 |
2.8 |
0.334 |
3 |
0 |
0 |
0.000 |
| 16 |
16 |
|
A |
20 |
5 |
14863 |
◊ |
[PG4]B:405 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
8 |
1 |
411 |
118.0 |
3.0 |
0.389 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[PEG]B:397 |
7 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
14597 |
117.1 |
1.9 |
0.249 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[ACT]A:395 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14863 |
114.8 |
-1.5 |
0.527 |
3 |
0 |
0 |
0.026 |
| 19 |
19 |
|
[PEG]A:400 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
14863 |
112.7 |
3.3 |
0.393 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[PGE]B:403 |
8 |
1 |
326 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
14597 |
111.1 |
3.6 |
0.352 |
1 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[PEG]A:399 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14863 |
107.7 |
1.9 |
0.231 |
1 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[PEG]A:398 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14863 |
107.2 |
1.4 |
0.223 |
3 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[PGE]B:401 |
10 |
1 |
329 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
14597 |
106.2 |
2.6 |
0.156 |
1 |
0 |
0 |
0.000 |
| 24 |
24 |
|
A |
12 |
5 |
14863 |
◊ |
[P6G]A:404 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
10 |
1 |
531 |
97.5 |
1.3 |
0.432 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[CAC]B:394 |
5 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
14597 |
94.7 |
3.3 |
0.373 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[PGE]A:402 |
7 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14863 |
93.5 |
1.6 |
0.139 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[PEG]B:400 |
6 |
1 |
260 |
◊ |
A |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
12 |
4 |
14863 |
91.0 |
2.5 |
0.378 |
1 |
0 |
0 |
0.000 |
| 28 |
28 |
|
B |
12 |
5 |
14597 |
◊ |
A |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
7 |
3 |
14863 |
89.0 |
2.4 |
0.939 |
2 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[ACT]B:395 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14597 |
86.8 |
0.1 |
0.756 |
1 |
0 |
0 |
0.003 |
| 30 |
30 |
|
[CAC]B:394 |
5 |
1 |
237 |
◊ |
A |
y,x-1,-z |
7_545 |
10 |
5 |
14863 |
85.9 |
3.1 |
0.250 |
0 |
0 |
0 |
0.000 |
| 31 |
31 |
|
A |
8 |
4 |
14863 |
◊ |
B |
-y+3/2,x-1/2,z+1/4 |
3_645 |
12 |
6 |
14597 |
83.6 |
-0.8 |
0.451 |
1 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[CL]B:393 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
13 |
14597 |
82.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.230 |
33 |
|
[CL]A:394 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
14863 |
78.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.230 |
| Average: |
80.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.230 |
| 33 |
34 |
|
B |
11 |
4 |
14597 |
◊ |
[PEG]A:398 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
6 |
1 |
257 |
77.8 |
2.6 |
0.403 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
B |
10 |
3 |
14597 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
9 |
4 |
14863 |
77.6 |
-0.4 |
0.552 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[PEG]B:400 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
14597 |
75.2 |
1.2 |
0.191 |
2 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[PGE]B:403 |
6 |
1 |
326 |
◊ |
A |
y,x-1,-z |
7_545 |
13 |
3 |
14863 |
72.4 |
1.3 |
0.216 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[CL]B:392 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14597 |
67.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.192 |
39 |
|
[CL]A:393 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14863 |
66.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
67.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.192 |
| 38 |
40 |
|
B |
9 |
5 |
14597 |
◊ |
[PGE]A:402 |
y,x-1,-z |
7_545 |
5 |
1 |
338 |
64.6 |
1.8 |
0.292 |
1 |
0 |
0 |
0.000 |
| 39 |
41 |
|
A |
10 |
4 |
14863 |
◊ |
[PEG]B:399 |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
6 |
1 |
260 |
63.2 |
1.8 |
0.274 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[PEG]B:399 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
14597 |
57.9 |
1.4 |
0.156 |
1 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[PGE]A:402 |
4 |
1 |
338 |
f |
[PEG]A:399 |
x,y,z |
1_555 |
5 |
1 |
257 |
53.8 |
2.2 |
0.135 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
B |
10 |
4 |
14597 |
f |
[PEG]A:396 |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
6 |
1 |
260 |
52.0 |
1.3 |
0.231 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
A |
5 |
2 |
14863 |
◊ |
[PEG]A:397 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
6 |
1 |
262 |
46.5 |
1.0 |
0.199 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[CA]A:391 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
14863 |
41.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.147 |
47 |
|
[CA]B:389 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14597 |
32.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.147 |
| Average: |
37.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.147 |
| 45 |
48 |
|
[PG4]B:405 |
5 |
1 |
411 |
◊ |
[PGE]B:401 |
x,y,z |
1_555 |
5 |
1 |
329 |
41.2 |
2.5 |
0.143 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[CA]A:389 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14863 |
38.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.106 |
50 |
|
[CA]B:390 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14597 |
32.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
35.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.106 |
| 47 |
51 |
|
[CA]A:392 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14597 |
31.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.105 |
52 |
|
[CA]A:390 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14863 |
30.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.105 |
| Average: |
31.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.105 |
| 48 |
53 |
|
[CA]B:391 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
14597 |
26.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.042 |
| 49 |
54 |
|
[CAC]B:394 |
4 |
1 |
237 |
f |
[CA]B:390 |
x,y,z |
1_555 |
1 |
1 |
85 |
25.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
| 50 |
55 |
|
[PGE]B:402 |
4 |
1 |
336 |
f |
[ACT]B:395 |
x,y,z |
1_555 |
1 |
1 |
183 |
25.3 |
0.1 |
0.188 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
[CA]A:390 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14597 |
23.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.043 |
57 |
|
[CA]A:392 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14863 |
5.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
14.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.043 |
| 52 |
58 |
|
[ACT]B:395 |
2 |
1 |
183 |
f |
[CA]B:389 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.033 |
| 53 |
59 |
|
[ACT]B:395 |
3 |
1 |
183 |
f |
[CA]A:392 |
x,y,z |
1_555 |
1 |
1 |
85 |
21.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.034 |
| 54 |
60 |
|
[PEG]B:397 |
2 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
14863 |
21.7 |
-0.2 |
0.249 |
0 |
0 |
0 |
0.002 |
| 55 |
61 |
|
[PGE]A:403 |
3 |
1 |
337 |
f |
[CA]A:391 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.032 |
| 56 |
62 |
|
[PEG]B:397 |
1 |
1 |
260 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
1 |
14597 |
17.0 |
0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[P6G]A:404 |
2 |
1 |
531 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14597 |
15.6 |
0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[CA]B:390 |
1 |
1 |
85 |
◊ |
A |
y,x-1,-z |
7_545 |
2 |
2 |
14863 |
15.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
65 |
|
[PEG]B:396 |
2 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14863 |
12.6 |
0.4 |
0.320 |
0 |
0 |
0 |
0.000 |
| 60 |
66 |
|
[PGE]B:402 |
3 |
1 |
336 |
f |
[CA]B:389 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
| 61 |
67 |
|
[P6G]A:404 |
3 |
1 |
531 |
f |
[PGE]B:401 |
x,y,z |
1_555 |
2 |
1 |
329 |
10.9 |
0.1 |
0.216 |
0 |
0 |
0 |
0.000 |
| 62 |
68 |
|
[PGE]B:403 |
1 |
1 |
326 |
f |
[CA]B:390 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 63 |
69 |
|
[PEG]A:401 |
1 |
1 |
262 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
2 |
2 |
14863 |
5.3 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
| 64 |
70 |
|
[P6G]A:404 |
1 |
1 |
531 |
◊ |
[CL]B:392 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 65 |
71 |
|
[CAC]B:394 |
1 |
1 |
237 |
◊ |
[PEG]B:396 |
x,y,z |
1_555 |
1 |
1 |
257 |
4.4 |
0.3 |
0.239 |
0 |
0 |
0 |
0.000 |
| 66 |
72 |
|
[PEG]A:401 |
1 |
1 |
262 |
f |
[PEG]A:397 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
2 |
1 |
262 |
4.1 |
0.1 |
0.187 |
0 |
0 |
0 |
0.000 |
| 67 |
73 |
|
[PGE]B:402 |
1 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14863 |
3.6 |
0.1 |
0.282 |
0 |
0 |
0 |
0.000 |
| 68 |
74 |
|
A |
2 |
1 |
14863 |
◊ |
[CA]A:389 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
1 |
1 |
85 |
3.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 69 |
75 |
|
[CA]B:389 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14863 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 70 |
76 |
|
[CA]B:389 |
1 |
1 |
85 |
f |
[CA]A:392 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 71 |
77 |
|
[PEG]B:396 |
1 |
1 |
257 |
f |
[CL]A:393 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 72 |
78 |
|
A |
1 |
1 |
14863 |
f |
[PEG]A:398 |
-y+3/2,x-1/2,z+1/4 |
3_645 |
1 |
1 |
257 |
1.0 |
-0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
| 73 |
79 |
|
[CA]A:391 |
1 |
1 |
85 |
f |
[CA]A:390 |
x,y,z |
1_555 |
1 |
1 |
85 |
0.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
| 74 |
80 |
|
[PGE]B:403 |
1 |
1 |
326 |
◊ |
[PGE]A:402 |
y,x-1,-z |
7_545 |
1 |
1 |
338 |
0.2 |
0.0 |
0.141 |
0 |
0 |
0 |
0.000 |
|