## |
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 |
347 |
84 |
12668 |
◊ |
C |
x,y,z |
1_555 |
282 |
64 |
7374 |
2990.3 |
-38.7 |
0.322 |
55 |
5 |
0 |
1.000 |
2 |
|
F |
339 |
83 |
12682 |
◊ |
E |
x,y,z |
1_555 |
281 |
64 |
7374 |
2987.7 |
-38.6 |
0.318 |
57 |
6 |
0 |
1.000 |
3 |
|
B |
341 |
84 |
12668 |
◊ |
A |
x,y,z |
1_555 |
282 |
64 |
7353 |
2986.4 |
-38.7 |
0.324 |
57 |
6 |
0 |
1.000 |
Average: |
2988.1 |
-38.7 |
0.321 |
56 |
6 |
0 |
1.000 |
2 |
4 |
|
D |
96 |
32 |
12668 |
◊ |
E |
x,y,z |
1_555 |
78 |
22 |
7374 |
812.3 |
-3.9 |
0.684 |
12 |
8 |
0 |
0.119 |
5 |
|
B |
95 |
32 |
12668 |
◊ |
C |
x,y,z |
1_555 |
77 |
22 |
7374 |
797.9 |
-4.0 |
0.686 |
12 |
8 |
0 |
0.119 |
6 |
|
F |
92 |
32 |
12682 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
7353 |
797.6 |
-3.7 |
0.701 |
13 |
8 |
0 |
0.119 |
Average: |
802.6 |
-3.8 |
0.690 |
12 |
8 |
0 |
0.119 |
3 |
7 |
|
E |
60 |
17 |
7374 |
◊ |
C |
x,y,z |
1_555 |
54 |
16 |
7374 |
499.4 |
-5.5 |
0.661 |
7 |
0 |
0 |
1.000 |
8 |
|
E |
52 |
16 |
7374 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
7353 |
496.3 |
-5.3 |
0.665 |
8 |
0 |
0 |
1.000 |
9 |
|
C |
61 |
17 |
7374 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
7353 |
495.0 |
-5.3 |
0.670 |
8 |
0 |
0 |
1.000 |
Average: |
496.9 |
-5.4 |
0.665 |
8 |
0 |
0 |
1.000 |
4 |
10 |
|
F |
46 |
17 |
12682 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
47 |
17 |
12682 |
408.8 |
-2.1 |
0.702 |
2 |
0 |
0 |
0.000 |
5 |
11 |
|
B |
39 |
10 |
12668 |
◊ |
B |
x,-y,-z+1 |
4_556 |
39 |
10 |
12668 |
317.2 |
1.5 |
0.909 |
4 |
8 |
0 |
0.000 |
6 |
12 |
|
F |
32 |
9 |
12682 |
◊ |
D |
x,y,z |
1_555 |
52 |
16 |
12668 |
304.5 |
-1.7 |
0.534 |
2 |
3 |
0 |
0.038 |
13 |
|
F |
47 |
14 |
12682 |
◊ |
B |
x,y,z |
1_555 |
28 |
9 |
12668 |
304.1 |
-1.7 |
0.490 |
3 |
3 |
0 |
0.038 |
14 |
|
D |
29 |
9 |
12668 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
12668 |
300.2 |
-1.7 |
0.500 |
3 |
3 |
0 |
0.038 |
Average: |
303.0 |
-1.7 |
0.508 |
3 |
3 |
0 |
0.038 |
7 |
15 |
|
D |
19 |
6 |
12668 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
19 |
6 |
12668 |
215.0 |
1.3 |
0.878 |
6 |
4 |
0 |
0.011 |
16 |
|
F |
17 |
6 |
12682 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
16 |
6 |
12668 |
206.8 |
1.2 |
0.867 |
6 |
4 |
0 |
0.011 |
Average: |
210.9 |
1.2 |
0.872 |
6 |
4 |
0 |
0.011 |
8 |
17 |
|
F |
13 |
8 |
12682 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
21 |
8 |
7353 |
151.0 |
-2.2 |
0.346 |
1 |
0 |
0 |
0.028 |
18 |
|
D |
13 |
7 |
12668 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
20 |
7 |
7374 |
149.3 |
-2.1 |
0.343 |
1 |
0 |
0 |
0.028 |
19 |
|
B |
12 |
7 |
12668 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
20 |
7 |
7374 |
148.4 |
-2.2 |
0.313 |
1 |
0 |
0 |
0.028 |
Average: |
149.5 |
-2.2 |
0.334 |
1 |
0 |
0 |
0.028 |
9 |
20 |
|
[PVH]F:482 |
12 |
1 |
344 |
f |
F |
x,y,z |
1_555 |
27 |
9 |
12682 |
139.4 |
-1.2 |
0.628 |
2 |
0 |
0 |
0.034 |
21 |
|
[PVH]D:482 |
12 |
1 |
343 |
f |
D |
x,y,z |
1_555 |
28 |
9 |
12668 |
139.0 |
-1.2 |
0.616 |
2 |
0 |
0 |
0.034 |
22 |
|
[PVH]B:482 |
12 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
12668 |
138.5 |
-1.2 |
0.618 |
2 |
0 |
0 |
0.034 |
Average: |
139.0 |
-1.2 |
0.621 |
2 |
0 |
0 |
0.034 |
10 |
23 |
|
D |
8 |
3 |
12668 |
◊ |
F |
x-1/2,y+1/2,z |
5_455 |
12 |
6 |
12682 |
104.5 |
0.7 |
0.699 |
1 |
2 |
0 |
0.000 |
24 |
|
B |
9 |
3 |
12668 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
12 |
6 |
12668 |
100.1 |
0.6 |
0.682 |
1 |
1 |
0 |
0.000 |
Average: |
102.3 |
0.7 |
0.690 |
1 |
2 |
0 |
0.000 |
11 |
25 |
|
B |
15 |
5 |
12668 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
7374 |
104.3 |
-2.5 |
0.261 |
1 |
0 |
0 |
0.033 |
26 |
|
D |
15 |
5 |
12668 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
7353 |
103.9 |
-2.5 |
0.263 |
1 |
0 |
0 |
0.033 |
27 |
|
F |
15 |
5 |
12682 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
7374 |
102.3 |
-2.4 |
0.281 |
1 |
0 |
0 |
0.033 |
Average: |
103.5 |
-2.5 |
0.269 |
1 |
0 |
0 |
0.033 |
12 |
28 |
|
[PVH]F:482 |
10 |
1 |
344 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
7353 |
92.4 |
-0.9 |
0.667 |
1 |
0 |
0 |
0.015 |
29 |
|
[PVH]D:482 |
10 |
1 |
343 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
7374 |
92.1 |
-1.0 |
0.644 |
1 |
0 |
0 |
0.015 |
30 |
|
[PVH]B:482 |
11 |
1 |
342 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
7374 |
91.3 |
-0.9 |
0.680 |
1 |
0 |
0 |
0.015 |
Average: |
91.9 |
-0.9 |
0.663 |
1 |
0 |
0 |
0.015 |
13 |
31 |
|
B |
13 |
4 |
12668 |
◊ |
C |
x,-y,-z+1 |
4_556 |
11 |
4 |
7374 |
92.3 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
[PYR]F:82 |
4 |
1 |
194 |
cf |
F |
x,y,z |
1_555 |
9 |
5 |
12682 |
64.7 |
2.3 |
0.287 |
1 |
0 |
0 |
0.000 |
33 |
|
[PYR]B:82 |
4 |
1 |
194 |
cf |
B |
x,y,z |
1_555 |
9 |
5 |
12668 |
64.4 |
2.3 |
0.287 |
1 |
0 |
0 |
0.000 |
34 |
|
[PYR]D:82 |
4 |
1 |
197 |
cf |
D |
x,y,z |
1_555 |
11 |
5 |
12668 |
64.2 |
2.3 |
0.294 |
1 |
0 |
0 |
0.000 |
Average: |
64.4 |
2.3 |
0.289 |
1 |
0 |
0 |
0.000 |
15 |
35 |
|
[PVH]B:482 |
8 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7353 |
50.9 |
-0.2 |
0.735 |
1 |
0 |
0 |
0.010 |
36 |
|
[PVH]D:482 |
7 |
1 |
343 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7374 |
50.5 |
-0.2 |
0.716 |
1 |
0 |
0 |
0.010 |
37 |
|
[PVH]F:482 |
8 |
1 |
344 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
7374 |
50.1 |
-0.2 |
0.734 |
1 |
0 |
0 |
0.010 |
Average: |
50.5 |
-0.2 |
0.729 |
1 |
0 |
0 |
0.010 |
16 |
38 |
|
E |
6 |
3 |
7374 |
◊ |
D |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
6 |
3 |
12668 |
46.8 |
0.2 |
0.635 |
0 |
0 |
0 |
0.000 |
39 |
|
F |
6 |
3 |
12682 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
6 |
3 |
7374 |
43.7 |
0.2 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
45.2 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
17 |
40 |
|
[PVH]F:482 |
8 |
1 |
344 |
cf |
[PYR]F:82 |
x,y,z |
1_555 |
4 |
1 |
194 |
44.9 |
1.5 |
0.056 |
0 |
0 |
0 |
0.000 |
41 |
|
[PVH]B:482 |
8 |
1 |
342 |
cf |
[PYR]B:82 |
x,y,z |
1_555 |
4 |
1 |
194 |
44.6 |
1.5 |
0.056 |
0 |
0 |
0 |
0.000 |
42 |
|
[PVH]D:482 |
8 |
1 |
343 |
cf |
[PYR]D:82 |
x,y,z |
1_555 |
4 |
1 |
197 |
44.4 |
1.5 |
0.056 |
0 |
0 |
0 |
0.000 |
Average: |
44.6 |
1.5 |
0.056 |
0 |
0 |
0 |
0.000 |
18 |
43 |
|
[PYR]D:82 |
2 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
7374 |
29.5 |
1.0 |
0.297 |
0 |
0 |
0 |
0.000 |
44 |
|
[PYR]F:82 |
2 |
1 |
194 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
7374 |
29.2 |
1.0 |
0.298 |
0 |
0 |
0 |
0.000 |
45 |
|
[PYR]B:82 |
2 |
1 |
194 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7353 |
29.0 |
0.9 |
0.296 |
0 |
0 |
0 |
0.000 |
Average: |
29.2 |
0.9 |
0.297 |
0 |
0 |
0 |
0.000 |
19 |
46 |
|
[PYR]D:82 |
2 |
1 |
197 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
7374 |
29.5 |
1.3 |
0.327 |
0 |
0 |
0 |
0.000 |
47 |
|
[PYR]B:82 |
2 |
1 |
194 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7374 |
28.3 |
1.2 |
0.330 |
0 |
0 |
0 |
0.000 |
48 |
|
[PYR]F:82 |
2 |
1 |
194 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7353 |
27.4 |
1.2 |
0.329 |
0 |
0 |
0 |
0.000 |
Average: |
28.4 |
1.2 |
0.328 |
0 |
0 |
0 |
0.000 |
|