## |
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 |
178 |
50 |
15321 |
◊ |
A |
x,y,z |
1_555 |
172 |
47 |
15198 |
1820.2 |
-24.2 |
0.041 |
15 |
0 |
0 |
1.000 |
2 |
|
D |
177 |
50 |
15235 |
◊ |
C |
x,y,z |
1_555 |
176 |
48 |
15165 |
1770.4 |
-24.8 |
0.032 |
14 |
0 |
0 |
1.000 |
Average: |
1795.3 |
-24.5 |
0.036 |
15 |
0 |
0 |
1.000 |
2 |
3 |
|
D |
90 |
25 |
15235 |
◊ |
B |
x,y,z |
1_555 |
87 |
24 |
15321 |
710.6 |
-5.9 |
0.432 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
74 |
16 |
15165 |
◊ |
C |
-x+1,-y,z |
2_655 |
74 |
16 |
15165 |
676.3 |
-10.1 |
0.125 |
3 |
0 |
0 |
1.000 |
5 |
|
A |
75 |
18 |
15198 |
◊ |
A |
-x+1,-y,z |
2_655 |
75 |
18 |
15198 |
662.0 |
-10.2 |
0.139 |
2 |
0 |
0 |
1.000 |
Average: |
669.2 |
-10.2 |
0.132 |
3 |
0 |
0 |
1.000 |
4 |
6 |
|
C |
58 |
19 |
15165 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
64 |
20 |
15235 |
569.4 |
-1.2 |
0.708 |
2 |
4 |
0 |
0.000 |
7 |
|
B |
54 |
18 |
15321 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
56 |
21 |
15198 |
559.3 |
-1.7 |
0.651 |
1 |
3 |
0 |
0.000 |
Average: |
564.3 |
-1.5 |
0.679 |
2 |
4 |
0 |
0.000 |
5 |
8 |
|
C |
37 |
13 |
15165 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
15 |
15235 |
401.8 |
-0.5 |
0.685 |
1 |
2 |
0 |
0.000 |
6 |
9 |
|
[6ZH]D:501 |
23 |
1 |
536 |
f |
D |
x,y,z |
1_555 |
66 |
28 |
15235 |
389.1 |
2.1 |
0.501 |
4 |
0 |
0 |
1.000 |
10 |
|
[6ZH]B:501 |
23 |
1 |
527 |
f |
B |
x,y,z |
1_555 |
65 |
28 |
15321 |
384.1 |
2.1 |
0.489 |
4 |
0 |
0 |
1.000 |
11 |
|
[6ZH]A:501 |
23 |
1 |
535 |
f |
A |
x,y,z |
1_555 |
69 |
28 |
15198 |
376.9 |
0.7 |
0.436 |
3 |
0 |
0 |
1.000 |
12 |
|
[6ZH]C:501 |
23 |
1 |
534 |
f |
C |
x,y,z |
1_555 |
67 |
27 |
15165 |
374.9 |
0.5 |
0.382 |
3 |
0 |
0 |
1.000 |
Average: |
381.2 |
1.4 |
0.452 |
4 |
0 |
0 |
1.000 |
7 |
13 |
|
D |
45 |
12 |
15235 |
◊ |
C |
-x+1,-y,z |
2_655 |
40 |
11 |
15165 |
362.9 |
-3.1 |
0.435 |
0 |
0 |
0 |
1.000 |
14 |
|
B |
42 |
10 |
15321 |
◊ |
A |
-x+1,-y,z |
2_655 |
40 |
11 |
15198 |
345.5 |
-4.1 |
0.305 |
0 |
0 |
0 |
1.000 |
Average: |
354.2 |
-3.6 |
0.370 |
0 |
0 |
0 |
1.000 |
8 |
15 |
|
D |
36 |
13 |
15235 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
34 |
13 |
15165 |
310.1 |
0.6 |
0.783 |
3 |
3 |
0 |
0.000 |
9 |
16 |
|
B |
38 |
13 |
15321 |
f |
[PE8]A:509 |
x-1/2,-y+1/2,-z+1 |
4_456 |
21 |
1 |
688 |
273.5 |
1.0 |
0.444 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
[PG4]A:508 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
15198 |
262.0 |
6.4 |
0.471 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
B |
27 |
9 |
15321 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
10 |
15198 |
248.2 |
-2.8 |
0.295 |
0 |
1 |
0 |
0.000 |
12 |
19 |
|
[M2M]C:510 |
9 |
1 |
332 |
f |
C |
x,y,z |
1_555 |
36 |
13 |
15165 |
221.2 |
6.6 |
0.350 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
B |
22 |
9 |
15321 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
21 |
9 |
15198 |
179.4 |
-0.2 |
0.659 |
0 |
1 |
0 |
0.000 |
14 |
21 |
|
A |
17 |
8 |
15198 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
17 |
8 |
15198 |
175.6 |
-0.4 |
0.651 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
D |
19 |
6 |
15235 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
15198 |
164.9 |
-1.6 |
0.453 |
2 |
0 |
0 |
0.000 |
23 |
|
C |
16 |
6 |
15165 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
15321 |
151.4 |
-1.9 |
0.383 |
1 |
0 |
0 |
0.000 |
Average: |
158.2 |
-1.7 |
0.418 |
2 |
0 |
0 |
0.000 |
16 |
24 |
|
[DXE]B:506 |
6 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
15321 |
156.9 |
5.2 |
0.350 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[PE8]A:509 |
15 |
1 |
688 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15198 |
147.7 |
1.9 |
0.545 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[PEG]A:507 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
15198 |
143.7 |
4.2 |
0.496 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[DXE]C:507 |
6 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
15165 |
130.6 |
4.6 |
0.325 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[DXE]D:507 |
6 |
1 |
254 |
f |
D |
x,y,z |
1_555 |
27 |
7 |
15235 |
126.7 |
4.2 |
0.326 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[PEG]A:506 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
15198 |
121.4 |
3.0 |
0.374 |
1 |
0 |
0 |
0.000 |
22 |
30 |
|
[DXE]C:509 |
6 |
1 |
256 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
15165 |
119.4 |
4.0 |
0.234 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[PEG]C:505 |
6 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
15165 |
119.3 |
3.5 |
0.493 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[PEG]C:504 |
6 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
15165 |
118.4 |
3.0 |
0.452 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[PEG]C:506 |
7 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
21 |
5 |
15165 |
113.6 |
2.5 |
0.305 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[EDO]D:506 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
15235 |
105.0 |
2.7 |
0.477 |
1 |
0 |
0 |
0.000 |
27 |
35 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15198 |
102.8 |
3.2 |
0.555 |
1 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
15321 |
98.9 |
2.4 |
0.476 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[DXE]B:505 |
6 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
15321 |
96.3 |
2.8 |
0.173 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15321 |
96.3 |
2.9 |
0.502 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[EDO]A:503 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
15198 |
90.5 |
2.4 |
0.480 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[EDO]A:504 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
15198 |
90.5 |
2.0 |
0.263 |
1 |
0 |
0 |
0.000 |
33 |
41 |
|
[EDO]D:502 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
15235 |
80.8 |
2.0 |
0.270 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[DXE]C:508 |
5 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15321 |
77.3 |
1.8 |
0.171 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[EDO]D:504 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
15235 |
73.8 |
2.8 |
0.330 |
2 |
0 |
0 |
0.000 |
36 |
44 |
|
[DXE]C:508 |
6 |
1 |
253 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
15165 |
68.3 |
1.9 |
0.073 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[EDO]D:503 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
15235 |
66.9 |
1.4 |
0.232 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[EDO]A:502 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
15198 |
63.7 |
1.6 |
0.266 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[EDO]C:502 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
15165 |
62.7 |
1.8 |
0.829 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[DXE]C:508 |
5 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15235 |
62.7 |
1.9 |
0.108 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
15165 |
61.5 |
1.2 |
0.653 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
15321 |
53.4 |
1.4 |
0.809 |
2 |
0 |
0 |
0.000 |
43 |
51 |
|
[EDO]D:505 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15235 |
52.6 |
1.3 |
0.838 |
1 |
0 |
0 |
0.000 |
44 |
52 |
|
[EDO]B:503 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
15165 |
49.6 |
0.9 |
0.668 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[EDO]D:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
15321 |
44.8 |
0.3 |
0.420 |
0 |
0 |
0 |
0.000 |
46 |
54 |
|
C |
6 |
3 |
15165 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
6 |
3 |
15165 |
37.6 |
0.6 |
0.794 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
[PEG]C:505 |
4 |
1 |
258 |
f |
C |
-x+1,-y,z |
2_655 |
2 |
1 |
15165 |
32.6 |
0.5 |
0.113 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[EDO]D:503 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
15165 |
29.4 |
1.2 |
0.949 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[DXE]C:508 |
3 |
1 |
253 |
f |
[EDO]D:503 |
x,y,z |
1_555 |
2 |
1 |
184 |
29.0 |
1.6 |
0.192 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[DXE]C:509 |
2 |
1 |
256 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
15235 |
27.9 |
1.2 |
0.303 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[M2M]C:510 |
2 |
1 |
332 |
f |
[6ZH]C:501 |
x,y,z |
1_555 |
2 |
1 |
534 |
26.3 |
0.9 |
0.229 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[PG4]A:508 |
2 |
1 |
400 |
◊ |
[6ZH]A:501 |
x,y,z |
1_555 |
3 |
1 |
535 |
26.1 |
0.9 |
0.271 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
C |
2 |
1 |
15165 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
2 |
1 |
15198 |
12.3 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
54 |
62 |
|
[EDO]A:504 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
15321 |
8.6 |
0.3 |
0.840 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[EDO]B:503 |
1 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
15235 |
8.1 |
0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[EDO]C:503 |
1 |
1 |
184 |
f |
[EDO]C:502 |
x,y,z |
1_555 |
2 |
1 |
182 |
3.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
[PEG]A:507 |
1 |
1 |
259 |
f |
[PEG]A:506 |
x,y,z |
1_555 |
1 |
1 |
257 |
2.6 |
-0.0 |
0.202 |
0 |
0 |
0 |
0.150 |
58 |
66 |
|
C |
1 |
1 |
15165 |
f |
[EDO]D:504 |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
183 |
1.5 |
0.1 |
0.856 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[DXE]B:506 |
1 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15198 |
1.2 |
0.1 |
0.850 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[PG4]A:508 |
1 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15321 |
0.3 |
0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
|