| ## |
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 |
|
F |
131 |
36 |
10212 |
◊ |
A |
x,y,z |
1_555 |
144 |
43 |
11150 |
1229.0 |
-0.7 |
0.592 |
19 |
19 |
0 |
0.220 |
2 |
|
D |
148 |
49 |
10914 |
◊ |
C |
x,y,z |
1_555 |
125 |
33 |
11316 |
1211.2 |
-1.5 |
0.514 |
18 |
17 |
0 |
0.220 |
3 |
|
E |
143 |
41 |
10848 |
◊ |
D |
x,y,z |
1_555 |
120 |
31 |
10914 |
1176.8 |
-0.9 |
0.487 |
19 |
19 |
0 |
0.220 |
4 |
|
B |
136 |
39 |
10893 |
◊ |
A |
x,y,z |
1_555 |
114 |
30 |
11150 |
1163.3 |
-0.4 |
0.556 |
17 |
18 |
0 |
0.220 |
5 |
|
C |
129 |
40 |
11316 |
◊ |
B |
x,y,z |
1_555 |
117 |
30 |
10893 |
1149.6 |
0.5 |
0.604 |
18 |
21 |
0 |
0.220 |
6 |
|
F |
124 |
39 |
10212 |
◊ |
E |
x,y,z |
1_555 |
109 |
32 |
10848 |
1011.0 |
-1.1 |
0.490 |
18 |
22 |
0 |
0.220 |
| Average: |
1156.8 |
-0.7 |
0.540 |
18 |
19 |
0 |
0.220 |
| 2 |
7 |
|
B |
66 |
17 |
10893 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
68 |
19 |
10914 |
626.9 |
0.3 |
0.686 |
4 |
3 |
0 |
0.000 |
| 3 |
8 |
|
D |
47 |
13 |
10914 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
57 |
18 |
10212 |
494.7 |
-4.8 |
0.225 |
2 |
0 |
0 |
0.000 |
| 4 |
9 |
|
B |
37 |
12 |
10893 |
◊ |
F |
x-1,y,z |
1_455 |
35 |
8 |
10212 |
347.1 |
-3.3 |
0.303 |
1 |
2 |
0 |
0.000 |
| 5 |
10 |
|
[AGS]D:303 |
29 |
1 |
668 |
f |
D |
x,y,z |
1_555 |
41 |
16 |
10914 |
307.0 |
-5.9 |
0.535 |
17 |
0 |
0 |
0.256 |
11 |
|
[AGS]C:303 |
29 |
1 |
665 |
f |
C |
x,y,z |
1_555 |
44 |
16 |
11316 |
305.3 |
-5.6 |
0.548 |
16 |
0 |
0 |
0.256 |
12 |
|
[AGS]F:303 |
29 |
1 |
664 |
f |
F |
x,y,z |
1_555 |
42 |
16 |
10212 |
305.1 |
-6.1 |
0.523 |
19 |
0 |
0 |
0.256 |
13 |
|
[AGS]B:303 |
29 |
1 |
665 |
f |
B |
x,y,z |
1_555 |
42 |
16 |
10893 |
304.4 |
-5.9 |
0.527 |
17 |
0 |
0 |
0.256 |
14 |
|
[AGS]A:303 |
29 |
1 |
665 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
11150 |
304.2 |
-5.9 |
0.508 |
17 |
0 |
0 |
0.256 |
15 |
|
[AGS]E:303 |
29 |
1 |
660 |
f |
E |
x,y,z |
1_555 |
43 |
17 |
10848 |
301.9 |
-6.2 |
0.505 |
17 |
0 |
0 |
0.256 |
| Average: |
304.7 |
-5.9 |
0.524 |
17 |
0 |
0 |
0.256 |
| 6 |
16 |
|
F |
27 |
8 |
10212 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
27 |
9 |
10848 |
245.3 |
0.6 |
0.684 |
1 |
1 |
0 |
0.000 |
| 7 |
17 |
|
[AGS]D:303 |
22 |
1 |
668 |
◊ |
E |
x,y,z |
1_555 |
37 |
11 |
10848 |
236.6 |
-3.0 |
0.467 |
6 |
0 |
0 |
0.110 |
18 |
|
[AGS]B:303 |
20 |
1 |
665 |
◊ |
C |
x,y,z |
1_555 |
35 |
11 |
11316 |
236.5 |
-3.2 |
0.465 |
7 |
0 |
0 |
0.110 |
19 |
|
[AGS]F:303 |
24 |
1 |
664 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
11150 |
236.5 |
-3.4 |
0.421 |
6 |
0 |
0 |
0.110 |
20 |
|
[AGS]A:303 |
21 |
1 |
665 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
10893 |
236.4 |
-3.0 |
0.461 |
7 |
0 |
0 |
0.110 |
21 |
|
[AGS]E:303 |
21 |
1 |
660 |
◊ |
F |
x,y,z |
1_555 |
37 |
11 |
10212 |
234.2 |
-3.0 |
0.462 |
6 |
0 |
0 |
0.110 |
22 |
|
[AGS]C:303 |
20 |
1 |
665 |
◊ |
D |
x,y,z |
1_555 |
39 |
11 |
10914 |
229.0 |
-2.8 |
0.452 |
5 |
0 |
0 |
0.110 |
| Average: |
234.9 |
-3.1 |
0.454 |
6 |
0 |
0 |
0.110 |
| 8 |
23 |
|
A |
26 |
11 |
11150 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
6 |
11316 |
183.4 |
0.1 |
0.631 |
2 |
0 |
0 |
0.000 |
| 9 |
24 |
|
E |
17 |
4 |
10848 |
x |
E |
x-1/2,-y+1/2,-z |
4_455 |
22 |
6 |
10848 |
169.7 |
-1.2 |
0.450 |
2 |
0 |
0 |
0.000 |
| 10 |
25 |
|
C |
15 |
5 |
11316 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
19 |
6 |
10212 |
156.7 |
0.8 |
0.706 |
4 |
8 |
0 |
0.000 |
| 11 |
26 |
|
C |
18 |
7 |
11316 |
◊ |
E |
x-1,y,z |
1_455 |
18 |
7 |
10848 |
122.5 |
0.2 |
0.648 |
1 |
0 |
0 |
0.000 |
| 12 |
27 |
|
B |
11 |
4 |
10893 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
3 |
11316 |
96.6 |
0.8 |
0.728 |
0 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10893 |
60.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.162 |
29 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10914 |
60.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.162 |
30 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11150 |
60.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.162 |
31 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
10848 |
60.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.162 |
32 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
10212 |
60.0 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.162 |
33 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
11316 |
58.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
60.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.162 |
| 14 |
34 |
|
C |
3 |
1 |
11316 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
10914 |
52.2 |
-0.5 |
0.187 |
0 |
2 |
0 |
0.000 |
| 15 |
35 |
|
E |
5 |
2 |
10848 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
3 |
3 |
10212 |
45.5 |
0.5 |
0.563 |
1 |
0 |
0 |
0.000 |
| 16 |
36 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11150 |
37.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.078 |
37 |
|
[MG]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
10212 |
36.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
38 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
11316 |
36.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
39 |
|
[MG]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
10848 |
36.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.078 |
40 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10914 |
36.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
41 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
10893 |
35.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
36.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.078 |
| 17 |
42 |
|
[AGS]E:303 |
5 |
1 |
660 |
f |
[MG]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.089 |
43 |
|
[AGS]F:303 |
4 |
1 |
664 |
f |
[MG]F:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.089 |
44 |
|
[AGS]D:303 |
3 |
1 |
668 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.089 |
45 |
|
[AGS]C:303 |
5 |
1 |
665 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.089 |
46 |
|
[AGS]B:303 |
4 |
1 |
665 |
f |
[MG]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.089 |
47 |
|
[AGS]A:303 |
3 |
1 |
665 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
33.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.089 |
| 18 |
48 |
|
[CL]C:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10914 |
31.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.055 |
49 |
|
[CL]F:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11150 |
27.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.055 |
50 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10893 |
27.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.055 |
51 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11316 |
25.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.055 |
52 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10848 |
25.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.055 |
53 |
|
[CL]E:302 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10212 |
23.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
26.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.055 |
| 19 |
54 |
|
[MG]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10914 |
14.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.020 |
55 |
|
[MG]D:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10848 |
14.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
56 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11316 |
13.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
57 |
|
[MG]A:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10893 |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
58 |
|
[MG]F:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11150 |
13.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
59 |
|
[MG]E:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10212 |
13.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
13.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 20 |
60 |
|
[AGS]C:303 |
2 |
1 |
665 |
f |
[CL]C:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
61 |
|
[AGS]B:303 |
2 |
1 |
665 |
f |
[CL]B:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
62 |
|
[AGS]D:303 |
2 |
1 |
668 |
f |
[CL]D:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
63 |
|
[AGS]E:303 |
2 |
1 |
660 |
f |
[CL]E:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
64 |
|
[AGS]A:303 |
2 |
1 |
665 |
f |
[CL]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
65 |
|
[AGS]F:303 |
2 |
1 |
664 |
f |
[CL]F:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
6.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| 21 |
66 |
|
A |
2 |
1 |
11150 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10848 |
7.3 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
| 22 |
67 |
|
B |
3 |
1 |
10893 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
10848 |
5.1 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
|