## |
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 |
|
C |
654 |
159 |
33318 |
◊ |
A |
x,y,z |
1_555 |
645 |
156 |
33409 |
6546.1 |
-90.6 |
0.001 |
74 |
24 |
0 |
0.760 |
2 |
|
D |
651 |
157 |
33422 |
◊ |
B |
x,y,z |
1_555 |
658 |
159 |
33626 |
6501.6 |
-96.6 |
0.000 |
69 |
23 |
0 |
0.760 |
Average: |
6523.9 |
-93.6 |
0.001 |
72 |
24 |
0 |
0.760 |
2 |
3 |
|
F |
283 |
63 |
8143 |
◊ |
B |
x,y,z |
1_555 |
319 |
83 |
33626 |
2981.2 |
-43.2 |
0.026 |
36 |
23 |
0 |
0.832 |
4 |
|
H |
281 |
63 |
8082 |
◊ |
D |
x,y,z |
1_555 |
319 |
84 |
33422 |
2955.0 |
-42.6 |
0.035 |
42 |
22 |
0 |
0.832 |
5 |
|
G |
284 |
61 |
8042 |
◊ |
C |
x,y,z |
1_555 |
308 |
82 |
33318 |
2944.8 |
-43.8 |
0.033 |
36 |
22 |
0 |
0.832 |
6 |
|
E |
279 |
61 |
8053 |
◊ |
A |
x,y,z |
1_555 |
321 |
82 |
33409 |
2936.1 |
-39.5 |
0.064 |
36 |
22 |
0 |
0.832 |
Average: |
2954.3 |
-42.3 |
0.039 |
38 |
22 |
0 |
0.832 |
3 |
7 |
|
[B12]A:1801 |
59 |
1 |
1501 |
f |
A |
x,y,z |
1_555 |
81 |
30 |
33409 |
667.8 |
-9.2 |
0.368 |
12 |
0 |
0 |
0.198 |
8 |
|
[B12]C:1801 |
61 |
1 |
1512 |
f |
C |
x,y,z |
1_555 |
79 |
28 |
33318 |
667.1 |
-8.9 |
0.383 |
11 |
0 |
0 |
0.198 |
9 |
|
[B12]B:1801 |
60 |
1 |
1507 |
f |
B |
x,y,z |
1_555 |
84 |
28 |
33626 |
663.7 |
-8.2 |
0.414 |
13 |
0 |
0 |
0.198 |
10 |
|
[B12]D:1801 |
58 |
1 |
1502 |
f |
D |
x,y,z |
1_555 |
83 |
30 |
33422 |
656.7 |
-10.4 |
0.350 |
11 |
0 |
0 |
0.198 |
Average: |
663.8 |
-9.2 |
0.379 |
12 |
0 |
0 |
0.198 |
4 |
11 |
|
D |
61 |
18 |
33422 |
◊ |
B |
x-1,y,z |
1_455 |
58 |
18 |
33626 |
513.9 |
0.2 |
0.782 |
5 |
3 |
0 |
0.000 |
5 |
12 |
|
C |
44 |
13 |
33318 |
◊ |
A |
x-1,y,z |
1_455 |
53 |
18 |
33409 |
436.9 |
-0.6 |
0.700 |
1 |
2 |
0 |
0.000 |
6 |
13 |
|
F |
33 |
10 |
8143 |
◊ |
A |
x,y,z |
1_555 |
45 |
16 |
33409 |
373.8 |
1.3 |
0.816 |
4 |
0 |
0 |
0.000 |
7 |
14 |
|
[B12]C:1801 |
24 |
1 |
1512 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
33409 |
287.8 |
-2.4 |
0.567 |
3 |
0 |
0 |
0.041 |
15 |
|
[B12]B:1801 |
29 |
1 |
1507 |
◊ |
D |
x,y,z |
1_555 |
32 |
13 |
33422 |
266.1 |
-2.3 |
0.627 |
2 |
0 |
0 |
0.041 |
16 |
|
[B12]A:1801 |
24 |
1 |
1501 |
◊ |
C |
x,y,z |
1_555 |
34 |
13 |
33318 |
265.3 |
-1.9 |
0.571 |
3 |
0 |
0 |
0.041 |
17 |
|
[B12]D:1801 |
22 |
1 |
1502 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
33626 |
262.4 |
-1.8 |
0.634 |
3 |
0 |
0 |
0.041 |
Average: |
270.4 |
-2.1 |
0.600 |
3 |
0 |
0 |
0.041 |
8 |
18 |
|
[PLP]A:1802 |
15 |
1 |
382 |
◊ |
C |
x,y,z |
1_555 |
41 |
18 |
33318 |
242.2 |
-0.3 |
0.655 |
9 |
0 |
0 |
0.068 |
19 |
|
[PLP]D:1802 |
15 |
1 |
388 |
◊ |
B |
x,y,z |
1_555 |
45 |
18 |
33626 |
241.7 |
0.2 |
0.632 |
12 |
0 |
0 |
0.068 |
20 |
|
[PLP]C:1802 |
15 |
1 |
388 |
◊ |
A |
x,y,z |
1_555 |
42 |
17 |
33409 |
240.9 |
-1.8 |
0.568 |
12 |
0 |
0 |
0.068 |
21 |
|
[PLP]B:1802 |
15 |
1 |
392 |
◊ |
D |
x,y,z |
1_555 |
43 |
17 |
33422 |
238.7 |
-0.1 |
0.641 |
11 |
0 |
0 |
0.068 |
Average: |
240.9 |
-0.5 |
0.624 |
11 |
0 |
0 |
0.068 |
9 |
22 |
|
E |
28 |
7 |
8053 |
◊ |
D |
x,y,z |
1_555 |
22 |
5 |
33422 |
238.2 |
-1.2 |
0.607 |
3 |
0 |
0 |
0.000 |
10 |
23 |
|
B |
18 |
6 |
33626 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
17 |
8 |
33318 |
203.4 |
-2.4 |
0.322 |
1 |
2 |
0 |
0.000 |
11 |
24 |
|
H |
16 |
6 |
8082 |
◊ |
F |
x-1,y,z-1 |
1_454 |
25 |
7 |
8143 |
174.8 |
-1.4 |
0.506 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
C |
24 |
8 |
33318 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
33626 |
157.5 |
-0.7 |
0.614 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[5AD]A:1500 |
15 |
1 |
418 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
33409 |
157.0 |
-1.6 |
0.220 |
0 |
0 |
0 |
0.022 |
27 |
|
[5AD]D:1500 |
15 |
1 |
418 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
33422 |
153.5 |
-1.3 |
0.218 |
0 |
0 |
0 |
0.022 |
Average: |
155.2 |
-1.4 |
0.219 |
0 |
0 |
0 |
0.022 |
14 |
28 |
|
B |
18 |
6 |
33626 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
19 |
7 |
33409 |
156.2 |
0.6 |
0.781 |
5 |
5 |
0 |
0.000 |
15 |
29 |
|
[5AD]C:1500 |
15 |
1 |
417 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
33318 |
152.6 |
-1.8 |
0.191 |
0 |
0 |
0 |
0.024 |
16 |
30 |
|
[5AD]A:1500 |
16 |
1 |
418 |
◊ |
[B12]C:1801 |
x,y,z |
1_555 |
20 |
1 |
1512 |
146.0 |
2.3 |
0.493 |
1 |
0 |
0 |
0.000 |
31 |
|
[5AD]C:1500 |
15 |
1 |
417 |
◊ |
[B12]A:1801 |
x,y,z |
1_555 |
21 |
1 |
1501 |
141.7 |
2.3 |
0.525 |
0 |
0 |
0 |
0.000 |
Average: |
143.9 |
2.3 |
0.509 |
1 |
0 |
0 |
0.000 |
17 |
32 |
|
[5AD]D:1500 |
17 |
1 |
418 |
◊ |
[B12]B:1801 |
x,y,z |
1_555 |
19 |
1 |
1507 |
142.8 |
2.2 |
0.464 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
E |
14 |
5 |
8053 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
33626 |
109.8 |
-0.4 |
0.633 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
D |
14 |
6 |
33422 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
11 |
6 |
33318 |
91.5 |
1.3 |
0.847 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
G |
10 |
4 |
8042 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
33626 |
91.0 |
0.1 |
0.694 |
1 |
0 |
0 |
0.000 |
21 |
36 |
|
H |
14 |
4 |
8082 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
33409 |
86.3 |
1.3 |
0.785 |
0 |
2 |
0 |
0.000 |
22 |
37 |
|
B |
10 |
5 |
33626 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
6 |
33409 |
73.2 |
-0.4 |
0.594 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
[PLP]D:1802 |
8 |
1 |
388 |
cf |
D |
x,y,z |
1_555 |
7 |
3 |
33422 |
72.4 |
1.0 |
0.703 |
0 |
0 |
0 |
0.000 |
39 |
|
[PLP]B:1802 |
9 |
1 |
392 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
33626 |
69.4 |
1.3 |
0.741 |
0 |
0 |
0 |
0.000 |
Average: |
70.9 |
1.2 |
0.722 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
[PLP]C:1802 |
9 |
1 |
388 |
cf |
C |
x,y,z |
1_555 |
7 |
3 |
33318 |
70.4 |
1.5 |
0.747 |
0 |
0 |
0 |
0.000 |
41 |
|
[PLP]A:1802 |
7 |
1 |
382 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
33409 |
64.9 |
1.3 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
67.7 |
1.4 |
0.742 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
H |
8 |
4 |
8082 |
◊ |
G |
x,y,z-1 |
1_554 |
11 |
5 |
8042 |
68.8 |
1.5 |
0.839 |
1 |
1 |
0 |
0.000 |
26 |
43 |
|
D |
6 |
2 |
33422 |
◊ |
F |
x-1,y,z-1 |
1_454 |
9 |
2 |
8143 |
68.6 |
-1.6 |
0.241 |
0 |
0 |
0 |
0.000 |
44 |
|
H |
3 |
2 |
8082 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
2 |
33626 |
6.3 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
Average: |
37.4 |
-0.9 |
0.415 |
0 |
0 |
0 |
0.000 |
27 |
45 |
|
C |
8 |
4 |
33318 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
5 |
8053 |
58.3 |
-0.4 |
0.532 |
0 |
0 |
0 |
0.000 |
28 |
46 |
|
D |
5 |
2 |
33422 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
3 |
8143 |
56.6 |
0.7 |
0.805 |
1 |
0 |
0 |
0.000 |
47 |
|
H |
7 |
5 |
8082 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
4 |
33626 |
19.5 |
-0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
Average: |
38.0 |
0.2 |
0.694 |
1 |
0 |
0 |
0.000 |
29 |
48 |
|
D |
7 |
3 |
33422 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
3 |
33318 |
56.0 |
0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
30 |
49 |
|
E |
9 |
3 |
8053 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
33409 |
52.3 |
0.1 |
0.715 |
0 |
1 |
0 |
0.000 |
31 |
50 |
|
D |
4 |
2 |
33422 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
33409 |
49.3 |
-1.3 |
0.193 |
0 |
0 |
0 |
0.000 |
32 |
51 |
|
B |
5 |
2 |
33626 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
33409 |
40.0 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
A |
4 |
1 |
33409 |
◊ |
G |
x,y,z-1 |
1_554 |
5 |
1 |
8042 |
39.3 |
0.2 |
0.654 |
1 |
0 |
0 |
0.000 |
34 |
53 |
|
D |
4 |
2 |
33422 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
33409 |
32.5 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
D |
6 |
4 |
33422 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
8042 |
32.4 |
0.6 |
0.688 |
0 |
0 |
0 |
0.000 |
36 |
55 |
|
B |
6 |
2 |
33626 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
1 |
33422 |
28.0 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
37 |
56 |
|
D |
4 |
1 |
33422 |
x |
D |
x-1,y,z |
1_455 |
3 |
1 |
33422 |
20.3 |
0.5 |
0.801 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
[5AD]D:1500 |
3 |
1 |
418 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
8082 |
20.1 |
0.0 |
0.306 |
0 |
0 |
0 |
0.002 |
58 |
|
[5AD]C:1500 |
3 |
1 |
417 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
8042 |
19.3 |
-0.1 |
0.298 |
0 |
0 |
0 |
0.002 |
Average: |
19.7 |
-0.1 |
0.302 |
0 |
0 |
0 |
0.002 |
39 |
59 |
|
A |
3 |
1 |
33409 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
33626 |
18.7 |
0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
40 |
60 |
|
[5AD]A:1500 |
1 |
1 |
418 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
33318 |
17.4 |
1.1 |
0.851 |
0 |
0 |
0 |
0.000 |
41 |
61 |
|
[5AD]C:1500 |
1 |
1 |
417 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
33409 |
17.1 |
1.2 |
0.847 |
0 |
0 |
0 |
0.000 |
62 |
|
[5AD]D:1500 |
1 |
1 |
418 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
33626 |
14.6 |
1.0 |
0.854 |
0 |
0 |
0 |
0.000 |
Average: |
15.8 |
1.1 |
0.851 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
D |
2 |
1 |
33422 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
33409 |
15.2 |
0.3 |
0.848 |
0 |
0 |
0 |
0.000 |
43 |
64 |
|
C |
3 |
2 |
33318 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
1 |
8143 |
11.6 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
44 |
65 |
|
D |
3 |
1 |
33422 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
33318 |
9.4 |
-0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
45 |
66 |
|
E |
2 |
2 |
8053 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
1 |
8042 |
7.2 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
46 |
67 |
|
[5AD]A:1500 |
2 |
1 |
418 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8053 |
7.0 |
-0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
47 |
68 |
|
A |
1 |
1 |
33409 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
33409 |
6.9 |
-0.2 |
0.280 |
0 |
0 |
0 |
0.000 |
48 |
69 |
|
F |
1 |
1 |
8143 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
33318 |
0.1 |
0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
|