| ## |
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 |
192 |
62 |
15281 |
◊ |
C |
x,y,z |
1_555 |
190 |
59 |
15192 |
1857.3 |
-29.6 |
0.007 |
11 |
0 |
0 |
0.727 |
2 |
|
B |
182 |
56 |
15572 |
◊ |
A |
x,y,z |
1_555 |
179 |
55 |
15450 |
1745.0 |
-28.1 |
0.003 |
12 |
0 |
0 |
0.727 |
3 |
|
G |
176 |
59 |
14932 |
◊ |
F |
x,y,z |
1_555 |
182 |
59 |
14139 |
1740.4 |
-27.5 |
0.048 |
10 |
0 |
0 |
0.727 |
4 |
|
H |
175 |
57 |
15191 |
◊ |
E |
x,y,z |
1_555 |
179 |
59 |
14472 |
1708.7 |
-27.7 |
0.165 |
9 |
0 |
0 |
0.727 |
| Average: |
1762.8 |
-28.3 |
0.056 |
11 |
0 |
0 |
0.727 |
| 2 |
5 |
|
J |
150 |
53 |
12356 |
◊ |
I |
x,y,z |
1_555 |
156 |
54 |
15209 |
1521.0 |
-26.8 |
0.242 |
6 |
0 |
0 |
0.831 |
6 |
|
L |
83 |
31 |
10658 |
◊ |
K |
x,y,z |
1_555 |
86 |
31 |
15663 |
852.2 |
-20.4 |
0.264 |
0 |
0 |
0 |
0.831 |
| Average: |
1186.6 |
-23.6 |
0.253 |
3 |
0 |
0 |
0.831 |
| 3 |
7 |
|
F |
69 |
17 |
14139 |
◊ |
B |
x,y,z |
1_555 |
65 |
16 |
15572 |
650.1 |
-2.1 |
0.641 |
3 |
3 |
0 |
0.000 |
8 |
|
E |
70 |
18 |
14472 |
◊ |
A |
x,y,z |
1_555 |
62 |
16 |
15450 |
624.6 |
-0.6 |
0.726 |
3 |
4 |
0 |
0.000 |
| Average: |
637.4 |
-1.4 |
0.684 |
3 |
4 |
0 |
0.000 |
| 4 |
9 |
|
C |
65 |
18 |
15192 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
15450 |
497.8 |
-0.9 |
0.616 |
5 |
0 |
0 |
0.000 |
| 5 |
10 |
|
D |
64 |
17 |
15281 |
◊ |
B |
x,y,z-1 |
1_554 |
55 |
19 |
15572 |
497.7 |
1.0 |
0.733 |
2 |
2 |
0 |
0.000 |
| 6 |
11 |
|
J |
51 |
18 |
12356 |
◊ |
C |
x,y,z |
1_555 |
47 |
13 |
15192 |
428.8 |
-3.5 |
0.696 |
1 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
44 |
13 |
15572 |
◊ |
G |
x-1,y,z |
1_455 |
45 |
13 |
14932 |
386.6 |
-0.5 |
0.674 |
1 |
3 |
0 |
0.000 |
| 8 |
13 |
|
F |
36 |
14 |
14139 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
15450 |
285.4 |
-1.6 |
0.582 |
2 |
0 |
0 |
0.000 |
14 |
|
E |
26 |
9 |
14472 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
15572 |
212.9 |
-0.5 |
0.645 |
2 |
0 |
0 |
0.000 |
| Average: |
249.1 |
-1.0 |
0.614 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
L |
36 |
16 |
10658 |
◊ |
D |
x,y,z |
1_555 |
34 |
10 |
15281 |
285.2 |
-3.0 |
0.664 |
1 |
0 |
0 |
0.000 |
| 10 |
16 |
|
I |
34 |
13 |
15209 |
◊ |
C |
x-1,y,z |
1_455 |
33 |
11 |
15192 |
283.4 |
-0.7 |
0.722 |
2 |
1 |
0 |
0.000 |
| 11 |
17 |
|
F |
26 |
12 |
14139 |
◊ |
G |
x-1,y,z |
1_455 |
39 |
14 |
14932 |
257.4 |
3.6 |
0.952 |
1 |
4 |
0 |
0.000 |
18 |
|
E |
15 |
5 |
14472 |
◊ |
H |
x-1,y,z |
1_455 |
13 |
5 |
15191 |
112.2 |
2.4 |
0.956 |
2 |
1 |
0 |
0.000 |
| Average: |
184.8 |
3.0 |
0.954 |
2 |
3 |
0 |
0.000 |
| 12 |
19 |
|
K |
28 |
12 |
15663 |
◊ |
D |
x-1,y,z |
1_455 |
35 |
11 |
15281 |
243.2 |
0.1 |
0.892 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[PLP]I:401 |
16 |
1 |
399 |
cf |
I |
x,y,z |
1_555 |
31 |
14 |
15209 |
239.8 |
-0.6 |
0.682 |
3 |
0 |
0 |
0.100 |
21 |
|
[PLP]G:401 |
16 |
1 |
393 |
cf |
G |
x,y,z |
1_555 |
34 |
14 |
14932 |
229.3 |
-0.0 |
0.669 |
9 |
0 |
0 |
0.100 |
| Average: |
234.6 |
-0.3 |
0.675 |
6 |
0 |
0 |
0.100 |
| 14 |
22 |
|
[PLP]H:401 |
16 |
1 |
387 |
◊ |
H |
x,y,z |
1_555 |
34 |
16 |
15191 |
235.9 |
-0.7 |
0.750 |
5 |
0 |
0 |
0.111 |
23 |
|
[PLP]A:401 |
16 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
33 |
15 |
15450 |
232.4 |
-0.4 |
0.580 |
7 |
0 |
0 |
0.111 |
24 |
|
[PLP]C:401 |
16 |
1 |
396 |
c |
C |
x,y,z |
1_555 |
37 |
17 |
15192 |
230.6 |
-0.2 |
0.618 |
6 |
0 |
0 |
0.111 |
25 |
|
[PLP]K:401 |
16 |
1 |
395 |
◊ |
K |
x,y,z |
1_555 |
34 |
13 |
15663 |
229.6 |
-0.8 |
0.796 |
5 |
0 |
0 |
0.111 |
26 |
|
[PLP]F:401 |
16 |
1 |
390 |
c |
F |
x,y,z |
1_555 |
32 |
14 |
14139 |
227.9 |
0.1 |
0.685 |
4 |
0 |
0 |
0.111 |
| Average: |
231.3 |
-0.4 |
0.686 |
5 |
0 |
0 |
0.111 |
| 15 |
27 |
|
I |
38 |
17 |
15209 |
◊ |
G |
x,y-1,z |
1_545 |
34 |
16 |
14932 |
235.6 |
-0.2 |
0.808 |
2 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[PLP]E:401 |
16 |
1 |
392 |
cf |
E |
x,y,z |
1_555 |
33 |
14 |
14472 |
232.9 |
-0.8 |
0.660 |
5 |
0 |
0 |
0.100 |
29 |
|
[PLP]B:401 |
16 |
1 |
393 |
cf |
B |
x,y,z |
1_555 |
33 |
15 |
15572 |
231.7 |
-0.3 |
0.570 |
5 |
0 |
0 |
0.100 |
30 |
|
[PLP]D:401 |
16 |
1 |
394 |
cf |
D |
x,y,z |
1_555 |
33 |
15 |
15281 |
229.6 |
-0.0 |
0.644 |
5 |
0 |
0 |
0.100 |
| Average: |
231.4 |
-0.3 |
0.625 |
5 |
0 |
0 |
0.100 |
| 17 |
31 |
|
A |
30 |
10 |
15450 |
◊ |
H |
x-1,y,z |
1_455 |
24 |
13 |
15191 |
228.4 |
-3.3 |
0.375 |
0 |
0 |
0 |
0.000 |
| 18 |
32 |
|
K |
20 |
10 |
15663 |
◊ |
D |
x,y,z |
1_555 |
30 |
12 |
15281 |
210.4 |
-1.4 |
0.686 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
H |
23 |
9 |
15191 |
◊ |
C |
x,y,z |
1_555 |
27 |
9 |
15192 |
203.7 |
0.1 |
0.753 |
1 |
0 |
0 |
0.000 |
| 20 |
34 |
|
I |
21 |
8 |
15209 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
15192 |
166.4 |
-0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
I |
11 |
2 |
15209 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
14472 |
104.5 |
-0.1 |
0.729 |
0 |
1 |
0 |
0.000 |
36 |
|
K |
4 |
2 |
15663 |
◊ |
F |
x,y,z-1 |
1_554 |
5 |
2 |
14139 |
31.5 |
-0.7 |
0.449 |
0 |
0 |
0 |
0.000 |
| Average: |
68.0 |
-0.4 |
0.589 |
0 |
1 |
0 |
0.000 |
| 22 |
37 |
|
H |
12 |
4 |
15191 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
15450 |
97.8 |
-1.0 |
0.461 |
0 |
0 |
0 |
0.000 |
38 |
|
G |
11 |
3 |
14932 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
15572 |
71.2 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.000 |
| Average: |
84.5 |
-0.7 |
0.512 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
B |
10 |
5 |
15572 |
◊ |
D |
x-1,y,z+1 |
1_456 |
10 |
4 |
15281 |
82.2 |
1.5 |
0.840 |
1 |
1 |
0 |
0.000 |
| 24 |
40 |
|
A |
15 |
3 |
15450 |
◊ |
G |
x-1,y,z |
1_455 |
8 |
2 |
14932 |
80.7 |
-1.6 |
0.272 |
0 |
0 |
0 |
0.000 |
| 25 |
41 |
|
K |
9 |
4 |
15663 |
◊ |
H |
x-1,y+1,z-1 |
1_464 |
9 |
3 |
15191 |
70.5 |
-0.9 |
0.660 |
0 |
0 |
0 |
0.000 |
| 26 |
42 |
|
[PLP]H:401 |
8 |
1 |
387 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
14472 |
67.4 |
-3.0 |
0.405 |
3 |
0 |
0 |
0.095 |
43 |
|
[PLP]A:401 |
6 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
15572 |
61.6 |
-2.7 |
0.350 |
3 |
0 |
0 |
0.095 |
44 |
|
[PLP]F:401 |
6 |
1 |
390 |
cf |
G |
x,y,z |
1_555 |
7 |
2 |
14932 |
61.2 |
-3.0 |
0.337 |
1 |
0 |
0 |
0.095 |
| Average: |
63.4 |
-2.9 |
0.364 |
2 |
0 |
0 |
0.095 |
| 27 |
45 |
|
[CL]C:402 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
15192 |
67.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.344 |
46 |
|
[CL]D:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
15281 |
67.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.344 |
47 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
15450 |
65.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.344 |
48 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
15572 |
65.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.344 |
49 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
14472 |
64.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.344 |
| Average: |
66.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.344 |
| 28 |
50 |
|
[PLP]D:401 |
7 |
1 |
394 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
15192 |
63.0 |
-2.6 |
0.401 |
3 |
0 |
0 |
0.167 |
51 |
|
[PLP]C:401 |
7 |
1 |
396 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
15281 |
62.8 |
-2.6 |
0.407 |
3 |
0 |
0 |
0.167 |
52 |
|
[PLP]E:401 |
6 |
1 |
392 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
15191 |
59.2 |
-2.8 |
0.377 |
2 |
0 |
0 |
0.167 |
53 |
|
[PLP]G:401 |
7 |
1 |
393 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
14139 |
58.5 |
-2.4 |
0.417 |
3 |
0 |
0 |
0.167 |
| Average: |
60.9 |
-2.6 |
0.401 |
3 |
0 |
0 |
0.167 |
| 29 |
54 |
|
[PLP]B:401 |
6 |
1 |
393 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
15450 |
62.2 |
-2.8 |
0.350 |
3 |
0 |
0 |
0.086 |
| 30 |
55 |
|
[PLP]I:401 |
6 |
1 |
399 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
12356 |
59.2 |
-2.7 |
0.414 |
3 |
0 |
0 |
0.114 |
| 31 |
56 |
|
[PLP]K:401 |
6 |
1 |
395 |
f |
L |
x,y,z |
1_555 |
6 |
2 |
10658 |
58.7 |
-2.6 |
0.445 |
2 |
0 |
0 |
0.129 |
| 32 |
57 |
|
J |
11 |
6 |
12356 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
4 |
15572 |
50.2 |
1.5 |
0.896 |
1 |
0 |
0 |
0.000 |
| 33 |
58 |
|
F |
4 |
1 |
14139 |
◊ |
J |
x-1,y+1,z |
1_465 |
6 |
3 |
12356 |
45.5 |
-0.6 |
0.538 |
0 |
0 |
0 |
0.000 |
| 34 |
59 |
|
K |
5 |
3 |
15663 |
◊ |
E |
x-1,y+1,z-1 |
1_464 |
3 |
1 |
14472 |
39.3 |
-0.9 |
0.302 |
0 |
0 |
0 |
0.000 |
| 35 |
60 |
|
D |
8 |
5 |
15281 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
3 |
14932 |
37.7 |
-0.4 |
0.549 |
0 |
0 |
0 |
0.000 |
| 36 |
61 |
|
L |
4 |
3 |
10658 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
15192 |
27.3 |
-0.5 |
0.502 |
0 |
0 |
0 |
0.000 |
| 37 |
62 |
|
A |
4 |
3 |
15450 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
15192 |
23.2 |
0.6 |
0.797 |
0 |
0 |
0 |
0.000 |
| 38 |
63 |
|
J |
3 |
2 |
12356 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
15281 |
16.0 |
0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
| 39 |
64 |
|
I |
1 |
1 |
15209 |
◊ |
F |
x,y-1,z |
1_545 |
1 |
1 |
14139 |
9.7 |
-0.3 |
0.219 |
0 |
0 |
0 |
0.000 |
| 40 |
65 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
[PLP]E:401 |
x,y,z |
1_555 |
1 |
1 |
392 |
5.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
66 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
[PLP]A:401 |
x,y,z |
1_555 |
1 |
1 |
395 |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
67 |
|
[CL]C:402 |
1 |
1 |
125 |
◊ |
[PLP]C:401 |
x,y,z |
1_555 |
1 |
1 |
396 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 41 |
68 |
|
J |
1 |
1 |
12356 |
◊ |
G |
x,y-1,z |
1_545 |
3 |
1 |
14932 |
4.7 |
-0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
| 42 |
69 |
|
E |
1 |
1 |
14472 |
◊ |
G |
x,y-1,z |
1_545 |
1 |
1 |
14932 |
3.9 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
| 43 |
70 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
[PLP]B:401 |
x,y,z |
1_555 |
1 |
1 |
393 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|