| ## |
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 |
|
D |
356 |
97 |
16967 |
◊ |
A |
x,y,z |
1_555 |
357 |
95 |
17100 |
3271.3 |
-11.1 |
0.581 |
72 |
21 |
0 |
0.679 |
2 |
|
C |
341 |
93 |
16392 |
◊ |
B |
x,y,z |
1_555 |
340 |
92 |
16334 |
3102.0 |
-10.3 |
0.664 |
66 |
24 |
0 |
0.679 |
| Average: |
3186.7 |
-10.7 |
0.622 |
69 |
23 |
0 |
0.679 |
| 2 |
3 |
|
B |
78 |
19 |
16334 |
◊ |
A |
x,y,z |
1_555 |
76 |
19 |
17100 |
688.7 |
-8.8 |
0.143 |
6 |
4 |
0 |
0.068 |
4 |
|
D |
75 |
19 |
16967 |
◊ |
C |
x,y,z |
1_555 |
75 |
19 |
16392 |
672.8 |
-8.4 |
0.135 |
6 |
4 |
0 |
0.068 |
| Average: |
680.7 |
-8.6 |
0.139 |
6 |
4 |
0 |
0.068 |
| 3 |
5 |
|
[COA]A:501 |
38 |
1 |
979 |
f |
A |
x,y,z |
1_555 |
52 |
27 |
17100 |
531.8 |
3.8 |
0.337 |
5 |
0 |
0 |
0.000 |
6 |
|
[COA]D:501 |
36 |
1 |
975 |
f |
D |
x,y,z |
1_555 |
57 |
28 |
16967 |
527.9 |
3.2 |
0.330 |
5 |
0 |
0 |
0.000 |
| Average: |
529.9 |
3.5 |
0.334 |
5 |
0 |
0 |
0.000 |
| 4 |
7 |
|
A |
48 |
16 |
17100 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
44 |
15 |
16967 |
474.8 |
-1.1 |
0.582 |
4 |
3 |
0 |
0.009 |
| 5 |
8 |
|
C |
40 |
13 |
16392 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
53 |
19 |
16967 |
432.3 |
-1.5 |
0.562 |
6 |
4 |
0 |
0.000 |
| 6 |
9 |
|
C |
45 |
11 |
16392 |
◊ |
A |
x,y,z |
1_555 |
47 |
11 |
17100 |
393.2 |
-8.3 |
0.037 |
2 |
0 |
0 |
0.037 |
10 |
|
D |
45 |
10 |
16967 |
◊ |
B |
x,y,z |
1_555 |
46 |
10 |
16334 |
391.7 |
-8.1 |
0.042 |
3 |
0 |
0 |
0.037 |
| Average: |
392.5 |
-8.2 |
0.039 |
3 |
0 |
0 |
0.037 |
| 7 |
11 |
|
[OYA]D:502 |
9 |
1 |
324 |
◊ |
D |
x,y,z |
1_555 |
39 |
16 |
16967 |
198.0 |
3.0 |
0.436 |
0 |
0 |
0 |
0.000 |
12 |
|
[OYA]B:501 |
9 |
1 |
325 |
◊ |
B |
x,y,z |
1_555 |
38 |
16 |
16334 |
197.1 |
3.1 |
0.447 |
0 |
0 |
0 |
0.000 |
13 |
|
[OYA]A:502 |
9 |
1 |
324 |
◊ |
A |
x,y,z |
1_555 |
37 |
16 |
17100 |
194.8 |
3.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| Average: |
196.6 |
3.0 |
0.437 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
20 |
7 |
16392 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
21 |
6 |
16334 |
195.2 |
0.1 |
0.601 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
20 |
6 |
17100 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
10 |
16334 |
191.2 |
-1.5 |
0.473 |
2 |
2 |
0 |
0.000 |
| 10 |
16 |
|
[GOL]D:503 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
26 |
11 |
16967 |
137.9 |
-0.6 |
0.566 |
7 |
0 |
0 |
0.054 |
17 |
|
[GOL]B:502 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
16334 |
137.1 |
-0.6 |
0.577 |
8 |
0 |
0 |
0.054 |
| Average: |
137.5 |
-0.6 |
0.571 |
8 |
0 |
0 |
0.054 |
| 11 |
18 |
|
[GOL]A:503 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
17100 |
137.7 |
-0.5 |
0.564 |
8 |
0 |
0 |
0.060 |
19 |
|
[GOL]C:501 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
16392 |
136.6 |
-0.6 |
0.576 |
6 |
0 |
0 |
0.060 |
| Average: |
137.2 |
-0.6 |
0.570 |
7 |
0 |
0 |
0.060 |
| 12 |
20 |
|
[K]B:505 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
16334 |
131.9 |
-98.6 |
0.000 |
0 |
0 |
0 |
0.287 |
| 13 |
21 |
|
B |
16 |
5 |
16334 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
10 |
4 |
16392 |
117.7 |
0.0 |
0.648 |
1 |
1 |
0 |
0.002 |
| 14 |
22 |
|
[GOL]C:502 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
16392 |
114.2 |
-0.5 |
0.568 |
7 |
0 |
0 |
0.017 |
| 15 |
23 |
|
A |
11 |
2 |
17100 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
5 |
16392 |
104.2 |
-1.2 |
0.296 |
0 |
0 |
0 |
0.004 |
| 16 |
24 |
|
[K]C:504 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
16392 |
88.5 |
-58.7 |
0.000 |
0 |
0 |
0 |
0.283 |
| 17 |
25 |
|
D |
6 |
2 |
16967 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
7 |
16334 |
88.1 |
0.4 |
0.722 |
3 |
2 |
0 |
0.003 |
| 18 |
26 |
|
[K]C:505 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
16392 |
81.9 |
-49.1 |
0.000 |
0 |
0 |
0 |
0.237 |
| 19 |
27 |
|
[K]C:504 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
16334 |
76.4 |
-49.4 |
0.000 |
0 |
0 |
0 |
0.144 |
| 20 |
28 |
|
[K]C:505 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
16967 |
73.4 |
-45.9 |
0.000 |
0 |
0 |
0 |
0.222 |
| 21 |
29 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
16334 |
71.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.341 |
30 |
|
[CL]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
16392 |
71.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.341 |
31 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
16967 |
68.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.341 |
32 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
17100 |
67.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.341 |
| Average: |
69.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.341 |
| 22 |
33 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
16392 |
63.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.038 |
| 23 |
34 |
|
[OYA]A:502 |
5 |
1 |
324 |
f |
D |
x,y,z |
1_555 |
6 |
1 |
16967 |
52.5 |
1.5 |
0.431 |
0 |
0 |
0 |
0.000 |
35 |
|
[OYA]D:502 |
5 |
1 |
324 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
17100 |
51.7 |
1.5 |
0.428 |
1 |
0 |
0 |
0.000 |
36 |
|
[OYA]B:501 |
5 |
1 |
325 |
f |
C |
x,y,z |
1_555 |
6 |
1 |
16392 |
51.5 |
1.5 |
0.416 |
0 |
0 |
0 |
0.000 |
| Average: |
51.9 |
1.5 |
0.425 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
D |
9 |
6 |
16967 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
11 |
5 |
16334 |
30.8 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[COA]A:501 |
3 |
1 |
979 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
16967 |
26.8 |
0.9 |
0.701 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[CL]B:504 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
16334 |
26.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 27 |
40 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
[GOL]C:502 |
x,y,z |
1_555 |
3 |
1 |
218 |
25.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.012 |
| 28 |
41 |
|
[GOL]C:502 |
3 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
16334 |
24.8 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[COA]A:501 |
4 |
1 |
979 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16334 |
8.3 |
0.2 |
0.593 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
[COA]D:501 |
x,y,z |
1_555 |
1 |
1 |
975 |
7.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.029 |
44 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
[COA]A:501 |
x,y,z |
1_555 |
1 |
1 |
979 |
6.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
7.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.029 |
|