| ## |
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 |
354 |
93 |
19785 |
◊ |
A |
x,y,z |
1_555 |
351 |
94 |
20126 |
3423.8 |
-25.6 |
0.070 |
35 |
2 |
0 |
0.515 |
| 2 |
2 |
|
B |
60 |
22 |
19785 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
73 |
24 |
20126 |
611.1 |
2.2 |
0.786 |
5 |
4 |
0 |
0.000 |
| 3 |
3 |
|
[0T1]B:603 |
40 |
1 |
886 |
f |
B |
x,y,z |
1_555 |
65 |
30 |
19785 |
586.5 |
3.2 |
0.436 |
8 |
0 |
0 |
0.002 |
4 |
|
[0T1]A:603 |
39 |
1 |
866 |
f |
A |
x,y,z |
1_555 |
75 |
33 |
20126 |
554.4 |
2.5 |
0.422 |
2 |
0 |
0 |
0.002 |
| Average: |
570.4 |
2.8 |
0.429 |
5 |
0 |
0 |
0.002 |
| 4 |
5 |
|
B |
51 |
16 |
19785 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
46 |
13 |
20126 |
407.9 |
0.6 |
0.696 |
5 |
4 |
0 |
0.000 |
| 5 |
6 |
|
A |
39 |
10 |
20126 |
x |
A |
x-1,y,z |
1_455 |
35 |
10 |
20126 |
364.8 |
4.1 |
0.874 |
9 |
5 |
0 |
0.000 |
| 6 |
7 |
|
B |
34 |
11 |
19785 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
26 |
11 |
20126 |
289.7 |
2.2 |
0.716 |
4 |
3 |
0 |
0.000 |
| 7 |
8 |
|
B |
38 |
14 |
19785 |
x |
B |
x-1,y,z |
1_455 |
32 |
8 |
19785 |
278.3 |
-0.9 |
0.525 |
2 |
1 |
0 |
0.000 |
| 8 |
9 |
|
A |
25 |
6 |
20126 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
28 |
9 |
20126 |
259.0 |
-2.2 |
0.303 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
23 |
5 |
20126 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
7 |
19785 |
197.2 |
-2.5 |
0.262 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
14 |
4 |
19785 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
18 |
5 |
19785 |
133.9 |
-0.3 |
0.452 |
2 |
4 |
0 |
0.000 |
| 11 |
12 |
|
[ACT]B:604 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
19785 |
105.1 |
-0.1 |
0.670 |
3 |
0 |
0 |
0.018 |
| 12 |
13 |
|
[IMD]B:605 |
5 |
1 |
195 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
19785 |
96.1 |
2.6 |
0.207 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
B |
12 |
5 |
19785 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
5 |
20126 |
93.7 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[IMD]A:607 |
5 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
20126 |
91.8 |
2.3 |
0.198 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[IMD]B:606 |
5 |
1 |
195 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
19785 |
91.7 |
2.6 |
0.232 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[IMD]A:606 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20126 |
81.3 |
1.8 |
0.136 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[ACE]A:604 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
12 |
8 |
20126 |
80.8 |
-1.4 |
0.656 |
1 |
0 |
0 |
0.023 |
| 18 |
19 |
|
[FMT]A:605 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20126 |
79.9 |
-0.7 |
0.355 |
0 |
0 |
0 |
0.009 |
| 19 |
20 |
|
[IMD]A:606 |
5 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
19785 |
77.1 |
1.5 |
0.133 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[CL]B:602 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
19785 |
61.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.200 |
22 |
|
[CL]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
20126 |
59.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.200 |
| Average: |
60.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.200 |
| 21 |
23 |
|
[CL]B:601 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
19785 |
59.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.205 |
24 |
|
[CL]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20126 |
59.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.205 |
| Average: |
59.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.205 |
| 22 |
25 |
|
[IMD]A:607 |
5 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
19785 |
55.4 |
1.1 |
0.082 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[IMD]B:606 |
5 |
1 |
195 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
20126 |
53.2 |
1.5 |
0.126 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[IMD]B:605 |
5 |
1 |
195 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
20126 |
52.9 |
0.8 |
0.052 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[ACE]A:604 |
3 |
1 |
171 |
f |
[0T1]A:603 |
x,y,z |
1_555 |
4 |
1 |
866 |
44.1 |
-0.2 |
0.623 |
1 |
0 |
0 |
0.008 |
| 26 |
29 |
|
[CL]B:601 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
20126 |
41.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.112 |
30 |
|
[CL]A:601 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
19785 |
38.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.112 |
| Average: |
39.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.112 |
| 27 |
31 |
|
B |
7 |
2 |
19785 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
4 |
20126 |
36.4 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
6 |
2 |
19785 |
◊ |
[FMT]A:605 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
147 |
36.1 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[CL]A:602 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
19785 |
33.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.065 |
34 |
|
[CL]B:602 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
20126 |
27.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
30.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.065 |
| 30 |
35 |
|
B |
4 |
2 |
19785 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
19785 |
33.1 |
-0.6 |
0.198 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[IMD]B:606 |
3 |
1 |
195 |
f |
[IMD]A:607 |
x,y,z |
1_555 |
3 |
1 |
196 |
24.8 |
1.1 |
0.056 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[CL]B:602 |
1 |
1 |
125 |
◊ |
[CL]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.028 |
| 33 |
38 |
|
B |
4 |
2 |
19785 |
◊ |
[0T1]A:603 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
866 |
10.0 |
-0.4 |
0.427 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
A |
1 |
1 |
20126 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20126 |
1.6 |
0.0 |
0.720 |
0 |
0 |
0 |
0.000 |
|