| ## |
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 |
|
M |
103 |
29 |
12961 |
◊ |
I |
x,y,z |
1_555 |
103 |
29 |
12889 |
982.4 |
-5.2 |
0.440 |
12 |
4 |
0 |
0.184 |
2 |
|
B |
101 |
30 |
12903 |
◊ |
A |
x,y,z |
1_555 |
103 |
29 |
12856 |
981.4 |
-6.6 |
0.380 |
12 |
5 |
0 |
0.184 |
| Average: |
981.9 |
-5.9 |
0.410 |
12 |
5 |
0 |
0.184 |
| 2 |
3 |
|
M |
81 |
22 |
12961 |
◊ |
I |
x-y,x,z-1/3 |
6_554 |
79 |
22 |
12889 |
746.1 |
-6.9 |
0.262 |
7 |
7 |
0 |
0.163 |
4 |
|
B |
81 |
22 |
12903 |
◊ |
A |
x-y,x,z-1/3 |
6_554 |
82 |
22 |
12856 |
737.4 |
-6.9 |
0.284 |
6 |
7 |
0 |
0.163 |
| Average: |
741.8 |
-6.9 |
0.273 |
7 |
7 |
0 |
0.163 |
| 3 |
5 |
|
M |
64 |
20 |
12961 |
◊ |
I |
-x+1,-y,z |
4_655 |
63 |
20 |
12889 |
602.5 |
-10.6 |
0.040 |
5 |
0 |
0 |
0.192 |
6 |
|
B |
61 |
20 |
12903 |
◊ |
A |
-x,-y-1,z |
4_545 |
61 |
19 |
12856 |
598.3 |
-10.7 |
0.036 |
5 |
0 |
0 |
0.192 |
| Average: |
600.4 |
-10.7 |
0.038 |
5 |
0 |
0 |
0.192 |
| 4 |
7 |
|
M |
33 |
10 |
12961 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
35 |
11 |
12903 |
307.2 |
2.1 |
0.849 |
6 |
2 |
0 |
0.000 |
8 |
|
I |
34 |
11 |
12889 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
31 |
9 |
12856 |
294.7 |
1.3 |
0.794 |
4 |
3 |
0 |
0.000 |
| Average: |
300.9 |
1.7 |
0.821 |
5 |
3 |
0 |
0.000 |
| 5 |
9 |
|
[FTV]B:301 |
14 |
1 |
384 |
f |
B |
x,y,z |
1_555 |
43 |
20 |
12903 |
243.3 |
-6.6 |
0.544 |
3 |
0 |
0 |
0.237 |
10 |
|
[FTV]M:301 |
14 |
1 |
387 |
f |
M |
x,y,z |
1_555 |
46 |
20 |
12961 |
243.3 |
-6.7 |
0.498 |
3 |
0 |
0 |
0.237 |
11 |
|
[FTV]I:301 |
14 |
1 |
382 |
f |
I |
x,y,z |
1_555 |
44 |
19 |
12889 |
240.7 |
-6.5 |
0.544 |
3 |
0 |
0 |
0.237 |
12 |
|
[FTV]A:301 |
14 |
1 |
384 |
f |
A |
x,y,z |
1_555 |
39 |
19 |
12856 |
239.8 |
-6.3 |
0.513 |
3 |
0 |
0 |
0.237 |
| Average: |
241.7 |
-6.5 |
0.525 |
3 |
0 |
0 |
0.237 |
| 6 |
13 |
|
[AKG]I:303 |
10 |
1 |
288 |
f |
I |
x,y,z |
1_555 |
27 |
15 |
12889 |
160.3 |
0.2 |
0.391 |
6 |
0 |
0 |
0.083 |
14 |
|
[AKG]M:303 |
10 |
1 |
289 |
f |
M |
x,y,z |
1_555 |
26 |
14 |
12961 |
159.3 |
0.0 |
0.380 |
6 |
0 |
0 |
0.083 |
15 |
|
[AKG]A:303 |
10 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
12856 |
158.7 |
0.1 |
0.391 |
6 |
0 |
0 |
0.083 |
16 |
|
[AKG]B:303 |
10 |
1 |
288 |
f |
B |
x,y,z |
1_555 |
26 |
14 |
12903 |
158.1 |
0.1 |
0.404 |
7 |
0 |
0 |
0.083 |
| Average: |
159.1 |
0.1 |
0.392 |
6 |
0 |
0 |
0.083 |
| 7 |
17 |
|
I |
10 |
3 |
12889 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
12856 |
116.3 |
1.0 |
0.789 |
1 |
1 |
0 |
0.000 |
18 |
|
M |
19 |
8 |
12961 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
12903 |
115.6 |
0.9 |
0.772 |
1 |
2 |
0 |
0.000 |
| Average: |
116.0 |
1.0 |
0.781 |
1 |
2 |
0 |
0.000 |
| 8 |
19 |
|
M |
11 |
3 |
12961 |
◊ |
[CL]I:304 |
x-y,x,z-1/3 |
6_554 |
1 |
1 |
125 |
50.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.193 |
20 |
|
B |
11 |
3 |
12903 |
◊ |
[CL]A:304 |
x-y,x,z-1/3 |
6_554 |
1 |
1 |
125 |
50.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.193 |
21 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
12856 |
49.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.193 |
22 |
|
[CL]I:304 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
12889 |
49.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.193 |
| Average: |
50.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.193 |
| 9 |
23 |
|
[CL]M:304 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
8 |
3 |
12961 |
46.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.187 |
24 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
12903 |
46.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.187 |
25 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
A |
x-y,x,z-1/3 |
6_554 |
8 |
3 |
12856 |
46.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.187 |
26 |
|
[CL]M:304 |
1 |
1 |
125 |
◊ |
I |
x-y,x,z-1/3 |
6_554 |
8 |
3 |
12889 |
46.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.187 |
| Average: |
46.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.187 |
| 10 |
27 |
|
[CO]I:302 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
7 |
12889 |
41.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.215 |
28 |
|
[CO]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
12903 |
41.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.215 |
29 |
|
[CO]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
12856 |
41.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.215 |
30 |
|
[CO]M:302 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
10 |
7 |
12961 |
41.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.215 |
| Average: |
41.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.215 |
| 11 |
31 |
|
I |
4 |
3 |
12889 |
◊ |
I |
-x+1,-y,z |
4_655 |
4 |
3 |
12889 |
38.1 |
1.2 |
0.904 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
4 |
3 |
12903 |
◊ |
B |
-x,-y-1,z |
4_545 |
4 |
3 |
12903 |
38.0 |
1.1 |
0.890 |
0 |
0 |
0 |
0.000 |
33 |
|
M |
4 |
3 |
12961 |
◊ |
M |
-x+1,-y,z |
4_655 |
3 |
3 |
12961 |
23.5 |
1.0 |
0.887 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
3 |
3 |
12856 |
◊ |
A |
-x,-y-1,z |
4_545 |
3 |
3 |
12856 |
18.2 |
0.5 |
0.811 |
0 |
0 |
0 |
0.000 |
| Average: |
29.5 |
0.9 |
0.873 |
0 |
0 |
0 |
0.000 |
| 12 |
35 |
|
[AKG]A:303 |
4 |
1 |
286 |
f |
[CO]A:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.117 |
36 |
|
[AKG]M:303 |
4 |
1 |
289 |
f |
[CO]M:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.117 |
37 |
|
[AKG]I:303 |
4 |
1 |
288 |
f |
[CO]I:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
33.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.117 |
38 |
|
[AKG]B:303 |
4 |
1 |
288 |
f |
[CO]B:302 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
33.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.117 |
| 13 |
39 |
|
[AKG]B:303 |
5 |
1 |
288 |
f |
[FTV]B:301 |
x,y,z |
1_555 |
6 |
1 |
384 |
29.8 |
1.1 |
0.483 |
0 |
0 |
0 |
0.000 |
40 |
|
[AKG]M:303 |
5 |
1 |
289 |
f |
[FTV]M:301 |
x,y,z |
1_555 |
6 |
1 |
387 |
29.7 |
1.0 |
0.477 |
0 |
0 |
0 |
0.000 |
41 |
|
[AKG]A:303 |
5 |
1 |
286 |
f |
[FTV]A:301 |
x,y,z |
1_555 |
6 |
1 |
384 |
29.4 |
1.0 |
0.453 |
0 |
0 |
0 |
0.000 |
42 |
|
[AKG]I:303 |
5 |
1 |
288 |
f |
[FTV]I:301 |
x,y,z |
1_555 |
6 |
1 |
382 |
29.2 |
1.0 |
0.473 |
0 |
0 |
0 |
0.000 |
| Average: |
29.5 |
1.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 14 |
43 |
|
[CO]B:302 |
1 |
1 |
125 |
f |
[FTV]B:301 |
x,y,z |
1_555 |
6 |
1 |
384 |
24.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.044 |
44 |
|
[CO]A:302 |
1 |
1 |
125 |
f |
[FTV]A:301 |
x,y,z |
1_555 |
5 |
1 |
384 |
23.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.044 |
45 |
|
[CO]I:302 |
1 |
1 |
125 |
f |
[FTV]I:301 |
x,y,z |
1_555 |
5 |
1 |
382 |
23.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.044 |
46 |
|
[CO]M:302 |
1 |
1 |
125 |
f |
[FTV]M:301 |
x,y,z |
1_555 |
6 |
1 |
387 |
23.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
23.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.044 |
| 15 |
47 |
|
I |
3 |
1 |
12889 |
◊ |
B |
x-y,x,z+2/3 |
6_555 |
3 |
1 |
12903 |
16.7 |
-0.5 |
0.316 |
0 |
0 |
0 |
0.000 |
| 16 |
48 |
|
M |
1 |
1 |
12961 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
3 |
1 |
12856 |
15.1 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
|