## |
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 |
|
C |
204 |
56 |
15062 |
◊ |
B |
x,y,z |
1_555 |
209 |
59 |
16146 |
2015.4 |
-19.0 |
0.190 |
23 |
12 |
0 |
0.683 |
2 |
|
D |
158 |
42 |
14748 |
◊ |
A |
x,y,z |
1_555 |
152 |
42 |
14524 |
1514.1 |
-23.2 |
0.026 |
12 |
9 |
0 |
0.683 |
Average: |
1764.7 |
-21.1 |
0.108 |
18 |
11 |
0 |
0.683 |
2 |
3 |
|
B |
50 |
13 |
16146 |
◊ |
A |
x-1,y,z |
1_455 |
57 |
17 |
14524 |
499.0 |
-3.3 |
0.485 |
4 |
1 |
0 |
0.000 |
4 |
|
B |
1 |
1 |
16146 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14524 |
0.2 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
249.6 |
-1.6 |
0.575 |
2 |
1 |
0 |
0.000 |
3 |
5 |
|
[7XO]A:1107 |
31 |
1 |
696 |
f |
A |
x,y,z |
1_555 |
57 |
25 |
14524 |
429.5 |
-6.1 |
0.499 |
1 |
0 |
0 |
0.080 |
4 |
6 |
|
[ANP]D:1102 |
31 |
1 |
582 |
f |
D |
x,y,z |
1_555 |
59 |
25 |
14748 |
424.9 |
-1.2 |
0.533 |
5 |
0 |
0 |
0.101 |
7 |
|
[ANP]B:1106 |
31 |
1 |
589 |
f |
B |
x,y,z |
1_555 |
56 |
23 |
16146 |
413.2 |
-1.0 |
0.571 |
8 |
0 |
0 |
0.101 |
Average: |
419.1 |
-1.1 |
0.552 |
7 |
0 |
0 |
0.101 |
5 |
8 |
|
D |
45 |
16 |
14748 |
◊ |
B |
x,y,z |
1_555 |
49 |
19 |
16146 |
410.5 |
3.4 |
0.861 |
3 |
2 |
0 |
0.000 |
6 |
9 |
|
[7XO]C:1104 |
31 |
1 |
704 |
f |
C |
x,y,z |
1_555 |
52 |
24 |
15062 |
409.2 |
-6.7 |
0.366 |
1 |
0 |
0 |
0.194 |
7 |
10 |
|
B |
36 |
14 |
16146 |
◊ |
D |
x-1,y,z |
1_455 |
47 |
16 |
14748 |
350.8 |
0.2 |
0.687 |
3 |
1 |
0 |
0.000 |
8 |
11 |
|
D |
39 |
13 |
14748 |
x |
D |
-x,y-1/2,-z |
2_545 |
33 |
8 |
14748 |
344.4 |
0.4 |
0.619 |
9 |
0 |
0 |
0.000 |
9 |
12 |
|
A |
29 |
9 |
14524 |
◊ |
D |
x,y,z-1 |
1_554 |
34 |
13 |
14748 |
321.2 |
-0.4 |
0.604 |
5 |
3 |
0 |
0.000 |
13 |
|
C |
26 |
9 |
15062 |
◊ |
B |
x,y,z-1 |
1_554 |
27 |
8 |
16146 |
262.0 |
-2.9 |
0.293 |
2 |
2 |
0 |
0.000 |
Average: |
291.6 |
-1.6 |
0.449 |
4 |
3 |
0 |
0.000 |
10 |
14 |
|
B |
40 |
12 |
16146 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
33 |
7 |
16146 |
319.9 |
-0.3 |
0.637 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
32 |
10 |
15062 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
15 |
14524 |
292.0 |
0.6 |
0.731 |
5 |
2 |
0 |
0.000 |
12 |
16 |
|
A |
25 |
10 |
14524 |
◊ |
B |
x,y,z-1 |
1_554 |
25 |
9 |
16146 |
249.5 |
-2.9 |
0.289 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
A |
28 |
11 |
14524 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
7 |
15062 |
234.9 |
-0.6 |
0.564 |
4 |
1 |
0 |
0.000 |
14 |
18 |
|
C |
33 |
12 |
15062 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
14524 |
226.1 |
-0.4 |
0.635 |
1 |
1 |
0 |
0.000 |
15 |
19 |
|
C |
20 |
8 |
15062 |
◊ |
D |
x-1,y,z-1 |
1_454 |
25 |
10 |
14748 |
219.4 |
-1.2 |
0.494 |
2 |
2 |
0 |
0.000 |
16 |
20 |
|
[ANP]A:1108 |
14 |
1 |
353 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
14524 |
204.7 |
-1.0 |
0.689 |
6 |
0 |
0 |
0.045 |
17 |
21 |
|
D |
23 |
9 |
14748 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
19 |
7 |
14524 |
199.0 |
-1.3 |
0.392 |
1 |
2 |
0 |
0.000 |
18 |
22 |
|
[7XO]B:1105 |
10 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
16146 |
144.4 |
-2.8 |
0.661 |
0 |
0 |
0 |
0.062 |
19 |
23 |
|
[EDO]A:1106 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
14524 |
122.6 |
3.3 |
0.471 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]B:1104 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
16146 |
120.2 |
3.4 |
0.511 |
3 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]C:1102 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
15062 |
110.2 |
4.5 |
0.540 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]A:1104 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
14524 |
107.4 |
2.8 |
0.406 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]B:1101 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
16146 |
102.2 |
3.7 |
0.539 |
4 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]C:1103 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
15062 |
99.9 |
3.6 |
0.532 |
3 |
0 |
0 |
0.000 |
25 |
29 |
|
B |
16 |
6 |
16146 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
14 |
7 |
15062 |
87.2 |
-0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]C:1101 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
15062 |
86.9 |
2.2 |
0.239 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]A:1102 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
14524 |
86.0 |
2.5 |
0.491 |
4 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]A:1103 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
4 |
14524 |
83.5 |
0.8 |
0.196 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
[EDO]B:1103 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
16146 |
77.6 |
2.3 |
0.458 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
C |
10 |
4 |
15062 |
f |
[EDO]B:1103 |
x,y,z-1 |
1_554 |
4 |
1 |
187 |
74.8 |
1.4 |
0.750 |
2 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]A:1105 |
4 |
1 |
183 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
3 |
15062 |
73.9 |
1.3 |
0.187 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]A:1105 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
14524 |
72.1 |
1.9 |
0.260 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[CL]A:1101 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
14524 |
63.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.151 |
34 |
38 |
|
[ANP]A:1108 |
8 |
1 |
353 |
f |
[7XO]A:1107 |
x,y,z |
1_555 |
6 |
1 |
696 |
62.1 |
-0.9 |
0.636 |
1 |
0 |
0 |
0.017 |
35 |
39 |
|
[EDO]B:1102 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
16146 |
61.5 |
1.8 |
0.246 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[EDO]A:1103 |
4 |
1 |
184 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
6 |
16146 |
60.1 |
1.1 |
0.738 |
1 |
0 |
0 |
0.000 |
37 |
41 |
|
D |
5 |
2 |
14748 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
10 |
2 |
16146 |
59.7 |
-0.0 |
0.607 |
0 |
2 |
0 |
0.000 |
38 |
42 |
|
[ANP]B:1106 |
7 |
1 |
589 |
f |
[7XO]B:1105 |
x,y,z |
1_555 |
4 |
1 |
363 |
58.8 |
-0.4 |
0.652 |
0 |
0 |
0 |
0.009 |
39 |
43 |
|
A |
9 |
3 |
14524 |
f |
[EDO]B:1102 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
53.4 |
1.4 |
0.802 |
1 |
0 |
0 |
0.000 |
40 |
44 |
|
C |
6 |
4 |
15062 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
3 |
14524 |
44.3 |
1.0 |
0.788 |
1 |
2 |
0 |
0.000 |
41 |
45 |
|
[MG]B:1107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
16146 |
40.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.113 |
46 |
|
[MG]A:1109 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14524 |
33.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
37.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.113 |
42 |
47 |
|
[MG]D:1101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
14748 |
40.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.064 |
43 |
48 |
|
[EDO]A:1102 |
3 |
1 |
184 |
f |
B |
x,y,z-1 |
1_554 |
9 |
4 |
16146 |
38.7 |
0.6 |
0.775 |
1 |
0 |
0 |
0.000 |
44 |
49 |
|
[ANP]B:1106 |
5 |
1 |
589 |
f |
[MG]B:1107 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.112 |
45 |
50 |
|
[MG]D:1103 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
14748 |
35.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.063 |
46 |
51 |
|
[7XO]C:1104 |
2 |
1 |
704 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
14524 |
32.8 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[ANP]D:1102 |
5 |
1 |
582 |
f |
[MG]D:1101 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.048 |
48 |
53 |
|
[ANP]D:1102 |
5 |
1 |
582 |
f |
[MG]D:1103 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.046 |
49 |
54 |
|
[EDO]A:1103 |
2 |
1 |
184 |
◊ |
[EDO]A:1102 |
x,y,z |
1_555 |
3 |
1 |
184 |
28.2 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
50 |
55 |
|
[MG]A:1109 |
1 |
1 |
98 |
f |
[ANP]A:1108 |
x,y,z |
1_555 |
5 |
1 |
353 |
27.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.051 |
51 |
56 |
|
[MG]A:1109 |
1 |
1 |
98 |
f |
[7XO]A:1107 |
x,y,z |
1_555 |
4 |
1 |
696 |
26.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.034 |
52 |
57 |
|
[EDO]C:1102 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
16146 |
20.5 |
0.9 |
0.924 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[EDO]A:1106 |
2 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
14748 |
20.4 |
1.0 |
0.969 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
[7XO]B:1105 |
1 |
1 |
363 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14748 |
16.0 |
0.3 |
0.852 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[MG]D:1103 |
1 |
1 |
98 |
f |
[MG]D:1101 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.036 |
56 |
61 |
|
[EDO]C:1103 |
1 |
1 |
184 |
f |
D |
x-1,y,z-1 |
1_454 |
4 |
3 |
14748 |
14.0 |
0.3 |
0.843 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
[EDO]B:1104 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15062 |
12.0 |
0.6 |
0.944 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
[EDO]B:1103 |
2 |
1 |
187 |
f |
[EDO]B:1101 |
x,y,z |
1_555 |
2 |
1 |
184 |
12.0 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
59 |
64 |
|
C |
1 |
1 |
15062 |
f |
[EDO]B:1101 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
3.9 |
0.1 |
0.898 |
0 |
0 |
0 |
0.000 |
60 |
65 |
|
[7XO]B:1105 |
3 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
15062 |
2.7 |
-0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
61 |
66 |
|
D |
2 |
1 |
14748 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15062 |
1.7 |
0.0 |
0.692 |
0 |
0 |
0 |
0.000 |
62 |
67 |
|
[EDO]A:1105 |
2 |
1 |
183 |
f |
B |
x,y,z-1 |
1_554 |
1 |
1 |
16146 |
0.9 |
0.0 |
0.720 |
0 |
0 |
0 |
0.000 |
63 |
68 |
|
[CL]A:1101 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14748 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
64 |
69 |
|
B |
1 |
1 |
16146 |
◊ |
[ANP]D:1102 |
x-1,y,z |
1_455 |
1 |
1 |
582 |
0.6 |
0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
|