## |
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 |
338 |
84 |
17337 |
◊ |
A |
x,y,z |
1_555 |
348 |
83 |
17274 |
3479.9 |
-53.5 |
0.001 |
24 |
8 |
0 |
0.483 |
2 |
|
D |
354 |
89 |
17362 |
◊ |
C |
x,y,z |
1_555 |
344 |
83 |
17217 |
3448.7 |
-51.7 |
0.004 |
24 |
11 |
0 |
0.483 |
Average: |
3464.3 |
-52.6 |
0.003 |
24 |
10 |
0 |
0.483 |
2 |
3 |
|
D |
46 |
16 |
17362 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
47 |
13 |
17217 |
393.8 |
-2.3 |
0.564 |
3 |
0 |
0 |
0.000 |
4 |
|
B |
44 |
16 |
17337 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
47 |
14 |
17274 |
382.8 |
-1.9 |
0.594 |
3 |
0 |
0 |
0.000 |
Average: |
388.3 |
-2.1 |
0.579 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
33 |
11 |
17362 |
◊ |
B |
x,y,z |
1_555 |
36 |
13 |
17337 |
352.5 |
-1.7 |
0.537 |
2 |
3 |
0 |
0.000 |
6 |
|
C |
27 |
11 |
17217 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
17274 |
333.9 |
-2.6 |
0.368 |
1 |
3 |
0 |
0.000 |
Average: |
343.2 |
-2.1 |
0.453 |
2 |
3 |
0 |
0.000 |
4 |
7 |
|
[IPE]A:1101 |
14 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
40 |
17 |
17274 |
260.2 |
-0.7 |
0.731 |
9 |
0 |
0 |
0.069 |
8 |
|
[IPE]D:1101 |
14 |
1 |
396 |
f |
D |
x,y,z |
1_555 |
40 |
17 |
17362 |
259.6 |
-0.2 |
0.734 |
11 |
0 |
0 |
0.069 |
9 |
|
[IPE]B:1101 |
14 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
37 |
17 |
17337 |
257.0 |
-0.1 |
0.751 |
10 |
0 |
0 |
0.069 |
Average: |
258.9 |
-0.4 |
0.739 |
10 |
0 |
0 |
0.069 |
5 |
10 |
|
[IPE]C:1101 |
14 |
1 |
399 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
17217 |
260.1 |
-0.2 |
0.741 |
8 |
0 |
0 |
0.028 |
6 |
11 |
|
B |
20 |
6 |
17337 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
36 |
12 |
17362 |
248.5 |
0.4 |
0.740 |
6 |
1 |
0 |
0.000 |
12 |
|
B |
30 |
9 |
17337 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
20 |
5 |
17362 |
227.9 |
0.1 |
0.730 |
4 |
1 |
0 |
0.000 |
Average: |
238.2 |
0.3 |
0.735 |
5 |
1 |
0 |
0.000 |
7 |
13 |
|
[ZOL]D:397 |
15 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
43 |
19 |
17362 |
211.7 |
0.4 |
0.736 |
10 |
0 |
0 |
0.030 |
8 |
14 |
|
[ZOL]C:397 |
15 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
40 |
19 |
17217 |
210.3 |
1.0 |
0.766 |
8 |
0 |
0 |
0.036 |
15 |
|
[ZOL]A:397 |
15 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
41 |
19 |
17274 |
208.7 |
1.1 |
0.790 |
7 |
0 |
0 |
0.036 |
16 |
|
[ZOL]B:397 |
15 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
41 |
18 |
17337 |
197.7 |
0.7 |
0.752 |
8 |
0 |
0 |
0.036 |
Average: |
205.6 |
0.9 |
0.769 |
8 |
0 |
0 |
0.036 |
9 |
17 |
|
C |
15 |
5 |
17217 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
17337 |
143.4 |
-2.3 |
0.278 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
D |
15 |
4 |
17362 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
17274 |
131.6 |
-1.3 |
0.442 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
[GOL]D:1105 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
17362 |
125.2 |
-0.5 |
0.531 |
3 |
0 |
0 |
0.014 |
12 |
20 |
|
[GOL]B:1105 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
17337 |
121.4 |
-0.5 |
0.536 |
4 |
0 |
0 |
0.017 |
13 |
21 |
|
[GOL]A:1106 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
17274 |
103.6 |
-1.2 |
0.377 |
2 |
0 |
0 |
0.015 |
14 |
22 |
|
[EDO]B:1106 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
17337 |
93.9 |
2.3 |
0.506 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
C |
11 |
3 |
17217 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
17274 |
91.8 |
-0.5 |
0.299 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]A:1105 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
17274 |
80.4 |
2.2 |
0.293 |
2 |
0 |
0 |
0.000 |
17 |
25 |
|
[EDO]A:1105 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17337 |
59.1 |
1.3 |
0.582 |
1 |
0 |
0 |
0.000 |
18 |
26 |
|
[IPE]A:1101 |
5 |
1 |
398 |
f |
[ZOL]A:397 |
x,y,z |
1_555 |
8 |
1 |
364 |
55.8 |
1.5 |
0.675 |
0 |
0 |
0 |
0.000 |
27 |
|
[IPE]B:1101 |
5 |
1 |
395 |
f |
[ZOL]B:397 |
x,y,z |
1_555 |
8 |
1 |
364 |
54.0 |
1.7 |
0.705 |
0 |
0 |
0 |
0.000 |
Average: |
54.9 |
1.6 |
0.690 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[IPE]D:1101 |
5 |
1 |
396 |
f |
[ZOL]D:397 |
x,y,z |
1_555 |
9 |
1 |
364 |
55.2 |
0.8 |
0.613 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[IPE]C:1101 |
5 |
1 |
399 |
f |
[ZOL]C:397 |
x,y,z |
1_555 |
9 |
1 |
366 |
54.2 |
1.3 |
0.677 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[MG]D:1104 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
17362 |
45.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.073 |
31 |
|
[MG]C:1104 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
17217 |
45.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.073 |
32 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17274 |
44.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.073 |
33 |
|
[MG]B:1103 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17337 |
38.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
43.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
22 |
34 |
|
[MG]C:1103 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
17217 |
39.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.079 |
35 |
|
[MG]D:1102 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
17362 |
39.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.079 |
36 |
|
[MG]B:1102 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
17337 |
39.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.079 |
37 |
|
[MG]A:1103 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17274 |
38.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
39.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.079 |
23 |
38 |
|
[GOL]D:1105 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17337 |
39.1 |
0.6 |
0.712 |
1 |
0 |
0 |
0.000 |
24 |
39 |
|
[GOL]A:1106 |
4 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17337 |
37.3 |
-0.9 |
0.243 |
0 |
0 |
0 |
0.006 |
25 |
40 |
|
[MG]C:1102 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
17217 |
32.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.063 |
41 |
|
[MG]D:1103 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
17362 |
31.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.063 |
42 |
|
[MG]B:1104 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
17337 |
30.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.063 |
43 |
|
[MG]A:1102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17274 |
30.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
31.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.063 |
26 |
44 |
|
[MG]D:1104 |
1 |
1 |
98 |
f |
[ZOL]D:397 |
x,y,z |
1_555 |
3 |
1 |
364 |
32.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.063 |
45 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
[ZOL]A:397 |
x,y,z |
1_555 |
3 |
1 |
364 |
31.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.063 |
46 |
|
[MG]C:1104 |
1 |
1 |
98 |
f |
[ZOL]C:397 |
x,y,z |
1_555 |
3 |
1 |
366 |
30.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.063 |
47 |
|
[MG]B:1103 |
1 |
1 |
98 |
f |
[ZOL]B:397 |
x,y,z |
1_555 |
3 |
1 |
364 |
27.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
30.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.063 |
27 |
48 |
|
[MG]C:1102 |
1 |
1 |
98 |
f |
[ZOL]C:397 |
x,y,z |
1_555 |
4 |
1 |
366 |
29.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.059 |
49 |
|
[MG]A:1102 |
1 |
1 |
98 |
f |
[ZOL]A:397 |
x,y,z |
1_555 |
3 |
1 |
364 |
29.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.059 |
50 |
|
[MG]D:1103 |
1 |
1 |
98 |
f |
[ZOL]D:397 |
x,y,z |
1_555 |
3 |
1 |
364 |
28.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.059 |
51 |
|
[MG]B:1104 |
1 |
1 |
98 |
f |
[ZOL]B:397 |
x,y,z |
1_555 |
3 |
1 |
364 |
26.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
28.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.059 |
28 |
52 |
|
[EDO]B:1106 |
3 |
1 |
187 |
f |
[ZOL]B:397 |
x,y,z |
1_555 |
6 |
1 |
364 |
28.3 |
-0.4 |
0.585 |
1 |
0 |
0 |
0.006 |
29 |
53 |
|
[GOL]B:1105 |
2 |
1 |
220 |
f |
[EDO]B:1106 |
x,y,z |
1_555 |
2 |
1 |
187 |
25.6 |
0.3 |
0.687 |
0 |
0 |
0 |
0.000 |
30 |
54 |
|
[MG]C:1103 |
1 |
1 |
98 |
f |
[ZOL]C:397 |
x,y,z |
1_555 |
4 |
1 |
366 |
25.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
55 |
|
[MG]A:1103 |
1 |
1 |
98 |
f |
[ZOL]A:397 |
x,y,z |
1_555 |
5 |
1 |
364 |
25.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.036 |
56 |
|
[MG]D:1102 |
1 |
1 |
98 |
f |
[ZOL]D:397 |
x,y,z |
1_555 |
5 |
1 |
364 |
24.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.036 |
57 |
|
[MG]B:1102 |
1 |
1 |
98 |
f |
[ZOL]B:397 |
x,y,z |
1_555 |
4 |
1 |
364 |
24.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
24.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.036 |
31 |
58 |
|
[GOL]A:1106 |
4 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17217 |
22.5 |
0.2 |
0.638 |
0 |
0 |
0 |
0.000 |
32 |
59 |
|
[GOL]B:1105 |
1 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
17362 |
20.9 |
-0.0 |
0.364 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
[EDO]B:1106 |
2 |
1 |
187 |
f |
[MG]B:1103 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
34 |
61 |
|
[MG]D:1103 |
1 |
1 |
98 |
f |
[MG]D:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.022 |
35 |
62 |
|
[MG]A:1103 |
1 |
1 |
98 |
f |
[MG]A:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
36 |
63 |
|
[MG]C:1103 |
1 |
1 |
98 |
f |
[MG]C:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.019 |
37 |
64 |
|
[MG]B:1104 |
1 |
1 |
98 |
f |
[MG]B:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.019 |
38 |
65 |
|
[EDO]B:1106 |
2 |
1 |
187 |
f |
[MG]B:1104 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
39 |
66 |
|
B |
2 |
1 |
17337 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
17217 |
5.1 |
-0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
40 |
67 |
|
D |
1 |
1 |
17362 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
17274 |
4.2 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
41 |
68 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
[MG]A:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
42 |
69 |
|
[MG]C:1104 |
1 |
1 |
98 |
f |
[MG]C:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
43 |
70 |
|
A |
1 |
1 |
17274 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
17217 |
3.4 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
44 |
71 |
|
[MG]D:1104 |
1 |
1 |
98 |
f |
[MG]D:1103 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
45 |
72 |
|
[MG]B:1104 |
1 |
1 |
98 |
f |
[MG]B:1103 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
46 |
73 |
|
[MG]D:1104 |
1 |
1 |
98 |
f |
[IPE]D:1101 |
x,y,z |
1_555 |
1 |
1 |
396 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|