| ## |
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 |
156 |
46 |
11039 |
◊ |
A |
x,y,z |
1_555 |
133 |
35 |
11051 |
1350.4 |
-0.3 |
0.474 |
22 |
17 |
0 |
0.224 |
2 |
|
C |
146 |
44 |
10468 |
◊ |
B |
x,y,z |
1_555 |
134 |
35 |
11039 |
1266.7 |
-0.2 |
0.508 |
19 |
19 |
0 |
0.224 |
3 |
|
F |
135 |
37 |
10293 |
◊ |
A |
x,y,z |
1_555 |
144 |
42 |
11051 |
1234.8 |
-0.0 |
0.582 |
21 |
21 |
0 |
0.224 |
4 |
|
F |
134 |
44 |
10293 |
◊ |
E |
x,y,z |
1_555 |
128 |
37 |
10846 |
1185.2 |
-2.2 |
0.351 |
19 |
17 |
0 |
0.224 |
5 |
|
E |
133 |
40 |
10846 |
◊ |
D |
x,y,z |
1_555 |
126 |
33 |
10661 |
1165.2 |
1.5 |
0.566 |
21 |
18 |
0 |
0.224 |
6 |
|
D |
132 |
42 |
10661 |
◊ |
C |
x,y,z |
1_555 |
129 |
35 |
10468 |
1163.9 |
-0.2 |
0.501 |
17 |
16 |
0 |
0.224 |
| Average: |
1227.7 |
-0.2 |
0.497 |
20 |
18 |
0 |
0.224 |
| 2 |
7 |
|
B |
67 |
17 |
11039 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
67 |
18 |
10661 |
584.4 |
0.0 |
0.606 |
5 |
7 |
0 |
0.000 |
| 3 |
8 |
|
D |
37 |
11 |
10661 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
41 |
14 |
10293 |
395.5 |
-1.6 |
0.397 |
2 |
0 |
0 |
0.000 |
| 4 |
9 |
|
B |
36 |
11 |
11039 |
◊ |
F |
x-1,y,z |
1_455 |
42 |
10 |
10293 |
348.0 |
-2.9 |
0.318 |
6 |
4 |
0 |
0.000 |
| 5 |
10 |
|
[AGS]E:303 |
29 |
1 |
665 |
f |
E |
x,y,z |
1_555 |
45 |
17 |
10846 |
305.7 |
-5.9 |
0.509 |
15 |
0 |
0 |
0.248 |
11 |
|
[AGS]B:303 |
29 |
1 |
668 |
f |
B |
x,y,z |
1_555 |
44 |
16 |
11039 |
305.1 |
-5.5 |
0.534 |
17 |
0 |
0 |
0.248 |
12 |
|
[AGS]D:303 |
29 |
1 |
664 |
f |
D |
x,y,z |
1_555 |
43 |
15 |
10661 |
304.8 |
-6.0 |
0.509 |
15 |
0 |
0 |
0.248 |
13 |
|
[AGS]F:303 |
29 |
1 |
662 |
f |
F |
x,y,z |
1_555 |
44 |
16 |
10293 |
303.5 |
-6.1 |
0.507 |
18 |
0 |
0 |
0.248 |
14 |
|
[AGS]C:303 |
29 |
1 |
664 |
f |
C |
x,y,z |
1_555 |
43 |
16 |
10468 |
301.6 |
-5.6 |
0.520 |
15 |
0 |
0 |
0.248 |
15 |
|
[AGS]A:303 |
29 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
43 |
15 |
11051 |
300.5 |
-5.5 |
0.508 |
18 |
0 |
0 |
0.248 |
| Average: |
303.5 |
-5.8 |
0.515 |
16 |
0 |
0 |
0.248 |
| 6 |
16 |
|
F |
32 |
8 |
10293 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
27 |
9 |
10846 |
257.0 |
0.8 |
0.676 |
1 |
1 |
0 |
0.000 |
| 7 |
17 |
|
[AGS]F:303 |
23 |
1 |
662 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
11051 |
239.5 |
-3.2 |
0.455 |
6 |
0 |
0 |
0.112 |
18 |
|
[AGS]A:303 |
23 |
1 |
661 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
11039 |
238.7 |
-3.2 |
0.423 |
7 |
0 |
0 |
0.112 |
19 |
|
[AGS]D:303 |
21 |
1 |
664 |
◊ |
E |
x,y,z |
1_555 |
35 |
11 |
10846 |
237.2 |
-3.3 |
0.417 |
6 |
0 |
0 |
0.112 |
20 |
|
[AGS]B:303 |
20 |
1 |
668 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
10468 |
236.3 |
-3.2 |
0.427 |
6 |
0 |
0 |
0.112 |
21 |
|
[AGS]C:303 |
22 |
1 |
664 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
10661 |
233.3 |
-2.8 |
0.459 |
6 |
0 |
0 |
0.112 |
22 |
|
[AGS]E:303 |
21 |
1 |
665 |
◊ |
F |
x,y,z |
1_555 |
35 |
11 |
10293 |
233.2 |
-3.2 |
0.431 |
6 |
0 |
0 |
0.112 |
| Average: |
236.4 |
-3.1 |
0.435 |
6 |
0 |
0 |
0.112 |
| 8 |
23 |
|
A |
30 |
11 |
11051 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
9 |
10468 |
236.5 |
0.2 |
0.609 |
2 |
0 |
0 |
0.000 |
| 9 |
24 |
|
E |
18 |
4 |
10846 |
x |
E |
x-1/2,-y+1/2,-z |
4_455 |
20 |
6 |
10846 |
161.5 |
-1.3 |
0.386 |
1 |
0 |
0 |
0.000 |
| 10 |
25 |
|
C |
10 |
3 |
10468 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
18 |
6 |
10293 |
129.2 |
1.2 |
0.729 |
3 |
7 |
0 |
0.000 |
| 11 |
26 |
|
C |
22 |
9 |
10468 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
7 |
10846 |
118.6 |
0.5 |
0.644 |
0 |
2 |
0 |
0.000 |
| 12 |
27 |
|
B |
11 |
3 |
11039 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
10468 |
68.9 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
10468 |
61.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.164 |
29 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11051 |
60.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.164 |
30 |
|
[CL]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
10293 |
60.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.164 |
31 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11039 |
60.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.164 |
32 |
|
[CL]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
10846 |
60.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.164 |
33 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10661 |
60.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
60.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.164 |
| 14 |
34 |
|
[MG]E:301 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
10846 |
37.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.080 |
35 |
|
[MG]F:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
10293 |
37.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.080 |
36 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11039 |
36.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.080 |
37 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10661 |
36.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.080 |
38 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10468 |
35.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.080 |
39 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11051 |
35.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.080 |
| Average: |
36.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.080 |
| 15 |
40 |
|
[AGS]B:303 |
4 |
1 |
668 |
f |
[MG]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.088 |
41 |
|
[AGS]E:303 |
5 |
1 |
665 |
f |
[MG]E:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.088 |
42 |
|
[AGS]C:303 |
4 |
1 |
664 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.088 |
43 |
|
[AGS]A:303 |
4 |
1 |
661 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.088 |
44 |
|
[AGS]F:303 |
3 |
1 |
662 |
f |
[MG]F:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.088 |
45 |
|
[AGS]D:303 |
3 |
1 |
664 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.088 |
| Average: |
33.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.088 |
| 16 |
46 |
|
E |
6 |
1 |
10846 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
10293 |
34.1 |
0.3 |
0.553 |
0 |
0 |
0 |
0.000 |
| 17 |
47 |
|
[CL]F:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11051 |
28.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.052 |
48 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11039 |
26.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.052 |
49 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10468 |
25.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.052 |
50 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10846 |
25.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
51 |
|
[CL]E:302 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10293 |
24.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.052 |
52 |
|
[CL]C:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
10661 |
22.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
25.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| 18 |
53 |
|
B |
4 |
2 |
11039 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10846 |
27.5 |
-0.2 |
0.210 |
0 |
0 |
0 |
0.000 |
| 19 |
54 |
|
[MG]C:301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10661 |
15.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.021 |
55 |
|
[MG]A:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11039 |
14.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
56 |
|
[MG]D:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
10846 |
14.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
57 |
|
[MG]F:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11051 |
14.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.021 |
58 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10468 |
13.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
59 |
|
[MG]E:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10293 |
11.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
13.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 20 |
60 |
|
[AGS]C:303 |
2 |
1 |
664 |
f |
[CL]C:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
61 |
|
[AGS]B:303 |
2 |
1 |
668 |
f |
[CL]B:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
62 |
|
[AGS]E:303 |
2 |
1 |
665 |
f |
[CL]E:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
63 |
|
[AGS]D:303 |
2 |
1 |
664 |
f |
[CL]D:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
64 |
|
[AGS]A:303 |
2 |
1 |
661 |
f |
[CL]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
65 |
|
[AGS]F:303 |
1 |
1 |
662 |
f |
[CL]F:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
6.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
|