## |
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 |
|
F |
106 |
32 |
10261 |
◊ |
E |
x,y,z |
1_555 |
102 |
30 |
10435 |
1027.3 |
-10.7 |
0.137 |
9 |
4 |
0 |
0.524 |
2 |
|
B |
98 |
31 |
10028 |
◊ |
A |
x,y,z |
1_555 |
99 |
30 |
9976 |
987.2 |
-11.1 |
0.118 |
9 |
5 |
0 |
0.524 |
3 |
|
H |
96 |
29 |
10279 |
◊ |
G |
x,y,z |
1_555 |
96 |
31 |
10264 |
977.8 |
-10.8 |
0.141 |
9 |
5 |
0 |
0.524 |
4 |
|
D |
93 |
30 |
9987 |
◊ |
C |
x,y,z |
1_555 |
94 |
30 |
9944 |
961.0 |
-10.2 |
0.137 |
8 |
4 |
0 |
0.524 |
Average: |
988.4 |
-10.7 |
0.133 |
9 |
5 |
0 |
0.524 |
2 |
5 |
|
G |
51 |
15 |
10264 |
◊ |
E |
x,y,z |
1_555 |
58 |
19 |
10435 |
550.0 |
-2.2 |
0.486 |
4 |
7 |
0 |
0.000 |
6 |
|
E |
53 |
15 |
10435 |
◊ |
G |
x,y-1,z |
1_545 |
57 |
19 |
10264 |
543.2 |
-1.7 |
0.527 |
4 |
5 |
0 |
0.000 |
Average: |
546.6 |
-1.9 |
0.506 |
4 |
6 |
0 |
0.000 |
3 |
7 |
|
H |
48 |
16 |
10279 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
50 |
12 |
9944 |
463.7 |
-0.6 |
0.581 |
4 |
3 |
0 |
0.000 |
8 |
|
F |
48 |
14 |
10261 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
13 |
9976 |
439.5 |
-1.4 |
0.486 |
6 |
3 |
0 |
0.000 |
Average: |
451.6 |
-1.0 |
0.533 |
5 |
3 |
0 |
0.000 |
4 |
9 |
|
B |
46 |
16 |
10028 |
x |
D |
x,y-1,z |
1_545 |
43 |
13 |
9987 |
449.8 |
-1.1 |
0.555 |
5 |
3 |
0 |
0.000 |
10 |
|
A |
46 |
13 |
9976 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
17 |
9976 |
439.7 |
-0.2 |
0.607 |
7 |
4 |
0 |
0.000 |
11 |
|
C |
44 |
11 |
9944 |
x |
C |
-x,y-1/2,-z |
2_545 |
41 |
14 |
9944 |
431.0 |
-0.1 |
0.590 |
7 |
4 |
0 |
0.000 |
Average: |
440.1 |
-0.5 |
0.584 |
6 |
4 |
0 |
0.000 |
5 |
12 |
|
D |
39 |
15 |
9987 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
10028 |
418.8 |
-0.2 |
0.626 |
6 |
4 |
0 |
0.000 |
6 |
13 |
|
G |
50 |
12 |
10264 |
◊ |
D |
x,y,z |
1_555 |
42 |
12 |
9987 |
392.4 |
-2.6 |
0.445 |
2 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
39 |
11 |
9944 |
◊ |
H |
x-1,y,z |
1_455 |
40 |
11 |
10279 |
362.2 |
-2.9 |
0.364 |
4 |
5 |
0 |
0.077 |
15 |
|
F |
43 |
11 |
10261 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
9976 |
360.3 |
-4.0 |
0.264 |
4 |
3 |
0 |
0.077 |
Average: |
361.2 |
-3.4 |
0.314 |
4 |
4 |
0 |
0.077 |
8 |
16 |
|
H |
34 |
12 |
10279 |
x |
H |
-x+1,y-1/2,-z |
2_645 |
43 |
12 |
10279 |
329.0 |
-0.9 |
0.550 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
F |
32 |
9 |
10261 |
x |
F |
-x+2,y-1/2,-z+1 |
2_746 |
33 |
9 |
10261 |
315.7 |
-0.8 |
0.531 |
3 |
1 |
0 |
0.000 |
10 |
18 |
|
A |
29 |
12 |
9976 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
11 |
10261 |
301.5 |
-0.3 |
0.573 |
6 |
3 |
0 |
0.000 |
19 |
|
C |
27 |
11 |
9944 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
34 |
11 |
10279 |
285.9 |
-0.3 |
0.604 |
6 |
3 |
0 |
0.000 |
Average: |
293.7 |
-0.3 |
0.588 |
6 |
3 |
0 |
0.000 |
11 |
20 |
|
B |
22 |
8 |
10028 |
◊ |
E |
x-1,y,z |
1_455 |
35 |
11 |
10435 |
252.0 |
-1.7 |
0.298 |
2 |
4 |
0 |
0.000 |
12 |
21 |
|
[MES]A:301 |
12 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
9976 |
235.4 |
5.4 |
0.325 |
0 |
0 |
0 |
0.000 |
22 |
|
[MES]B:302 |
12 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
36 |
17 |
10028 |
234.7 |
5.2 |
0.301 |
0 |
0 |
0 |
0.000 |
23 |
|
[MES]C:303 |
12 |
1 |
341 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
9944 |
234.0 |
5.6 |
0.352 |
0 |
0 |
0 |
0.000 |
24 |
|
[MES]D:304 |
12 |
1 |
347 |
f |
D |
x,y,z |
1_555 |
33 |
15 |
9987 |
233.1 |
6.0 |
0.388 |
0 |
0 |
0 |
0.000 |
Average: |
234.3 |
5.6 |
0.342 |
0 |
0 |
0 |
0.000 |
13 |
25 |
|
D |
8 |
2 |
9987 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
13 |
5 |
10279 |
94.5 |
0.2 |
0.625 |
1 |
1 |
0 |
0.000 |
26 |
|
B |
12 |
4 |
10028 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
6 |
10261 |
92.0 |
0.4 |
0.662 |
1 |
1 |
0 |
0.000 |
Average: |
93.3 |
0.3 |
0.644 |
1 |
1 |
0 |
0.000 |
14 |
27 |
|
H |
8 |
3 |
10279 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9944 |
65.0 |
-0.2 |
0.487 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
10028 |
51.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.761 |
29 |
|
[CA]D:404 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
9987 |
51.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.761 |
30 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
9944 |
51.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.761 |
31 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
9976 |
51.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.761 |
32 |
|
[CA]F:406 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
10261 |
50.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.761 |
33 |
|
[CA]E:405 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
10435 |
49.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.761 |
34 |
|
[CA]G:407 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
10264 |
49.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.761 |
35 |
|
[CA]H:408 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
10279 |
49.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.761 |
Average: |
50.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.761 |
16 |
36 |
|
[CA]A:409 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9976 |
28.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.139 |
17 |
37 |
|
[CA]A:409 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
10261 |
27.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.055 |
18 |
38 |
|
B |
2 |
2 |
10028 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
9976 |
17.8 |
0.8 |
0.848 |
0 |
0 |
0 |
0.000 |
39 |
|
D |
1 |
1 |
9987 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
9944 |
14.9 |
0.7 |
0.850 |
0 |
0 |
0 |
0.000 |
Average: |
16.3 |
0.8 |
0.849 |
0 |
0 |
0 |
0.000 |
19 |
40 |
|
[MES]D:304 |
4 |
1 |
347 |
f |
[CA]D:404 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.140 |
41 |
|
[MES]C:303 |
4 |
1 |
341 |
f |
[CA]C:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.140 |
42 |
|
[MES]A:301 |
4 |
1 |
342 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.140 |
43 |
|
[MES]B:302 |
4 |
1 |
342 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.140 |
Average: |
13.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.140 |
|