| ## |
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 |
338 |
90 |
21992 |
◊ |
C |
x,y,z |
1_555 |
345 |
91 |
21868 |
3259.4 |
-31.9 |
0.081 |
37 |
16 |
0 |
0.409 |
2 |
|
B |
343 |
91 |
22016 |
◊ |
A |
x,y,z |
1_555 |
340 |
90 |
21880 |
3234.4 |
-34.9 |
0.045 |
33 |
15 |
0 |
0.409 |
3 |
|
G |
343 |
90 |
21977 |
◊ |
F |
x,y,z |
1_555 |
347 |
91 |
22021 |
3231.4 |
-34.0 |
0.066 |
35 |
13 |
0 |
0.409 |
4 |
|
H |
340 |
91 |
22016 |
◊ |
E |
x,y,z |
1_555 |
348 |
93 |
21949 |
3226.3 |
-30.8 |
0.113 |
34 |
17 |
0 |
0.409 |
| Average: |
3237.9 |
-32.9 |
0.076 |
35 |
15 |
0 |
0.409 |
| 2 |
5 |
|
F |
146 |
44 |
22021 |
◊ |
A |
x,y,z |
1_555 |
153 |
45 |
21880 |
1456.0 |
-7.5 |
0.501 |
14 |
12 |
0 |
0.171 |
6 |
|
G |
152 |
44 |
21977 |
◊ |
B |
x,y,z |
1_555 |
148 |
45 |
22016 |
1438.6 |
-6.9 |
0.536 |
12 |
12 |
0 |
0.171 |
7 |
|
E |
148 |
44 |
21949 |
◊ |
C |
x,y,z |
1_555 |
151 |
46 |
21868 |
1434.8 |
-7.0 |
0.532 |
16 |
11 |
0 |
0.171 |
8 |
|
H |
154 |
45 |
22016 |
◊ |
D |
x,y,z |
1_555 |
148 |
45 |
21992 |
1431.0 |
-8.7 |
0.458 |
10 |
5 |
0 |
0.171 |
| Average: |
1440.1 |
-7.5 |
0.507 |
13 |
10 |
0 |
0.171 |
| 3 |
9 |
|
F |
83 |
21 |
22021 |
◊ |
B |
x,y,z |
1_555 |
85 |
22 |
22016 |
860.7 |
-2.8 |
0.612 |
13 |
9 |
0 |
0.074 |
10 |
|
E |
82 |
20 |
21949 |
◊ |
D |
x,y,z |
1_555 |
86 |
21 |
21992 |
859.6 |
-3.8 |
0.553 |
13 |
10 |
0 |
0.074 |
11 |
|
G |
84 |
21 |
21977 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
21880 |
850.9 |
-5.3 |
0.427 |
11 |
6 |
0 |
0.074 |
12 |
|
H |
85 |
22 |
22016 |
◊ |
C |
x,y,z |
1_555 |
87 |
22 |
21868 |
848.6 |
-5.7 |
0.415 |
10 |
7 |
0 |
0.074 |
| Average: |
854.9 |
-4.4 |
0.501 |
12 |
8 |
0 |
0.074 |
| 4 |
13 |
|
E |
87 |
25 |
21949 |
◊ |
F |
-x-1/2,-y-1,z-1/2 |
2_444 |
90 |
25 |
22021 |
818.8 |
-3.4 |
0.590 |
7 |
2 |
0 |
0.000 |
| 5 |
14 |
|
[ADP]G:602 |
27 |
1 |
570 |
f |
G |
x,y,z |
1_555 |
65 |
24 |
21977 |
408.9 |
-8.2 |
0.427 |
9 |
0 |
0 |
0.291 |
15 |
|
[ADP]H:602 |
26 |
1 |
565 |
f |
H |
x,y,z |
1_555 |
63 |
24 |
22016 |
408.8 |
-8.1 |
0.441 |
12 |
0 |
0 |
0.291 |
16 |
|
[ADP]F:602 |
26 |
1 |
568 |
f |
F |
x,y,z |
1_555 |
63 |
24 |
22021 |
408.6 |
-8.0 |
0.451 |
13 |
0 |
0 |
0.291 |
17 |
|
[ADP]A:602 |
27 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
64 |
23 |
21880 |
407.0 |
-8.5 |
0.414 |
11 |
0 |
0 |
0.291 |
18 |
|
[ADP]E:602 |
26 |
1 |
566 |
f |
E |
x,y,z |
1_555 |
63 |
24 |
21949 |
405.3 |
-8.0 |
0.449 |
11 |
0 |
0 |
0.291 |
19 |
|
[ADP]B:602 |
27 |
1 |
565 |
f |
B |
x,y,z |
1_555 |
62 |
23 |
22016 |
404.8 |
-8.2 |
0.432 |
10 |
0 |
0 |
0.291 |
20 |
|
[ADP]C:602 |
26 |
1 |
567 |
f |
C |
x,y,z |
1_555 |
66 |
25 |
21868 |
404.2 |
-7.9 |
0.452 |
10 |
0 |
0 |
0.291 |
21 |
|
[ADP]D:602 |
27 |
1 |
564 |
f |
D |
x,y,z |
1_555 |
62 |
23 |
21992 |
404.1 |
-8.5 |
0.415 |
11 |
0 |
0 |
0.291 |
| Average: |
406.5 |
-8.2 |
0.435 |
11 |
0 |
0 |
0.291 |
| 6 |
22 |
|
C |
38 |
10 |
21868 |
◊ |
A |
x,y-1,z |
1_545 |
44 |
14 |
21880 |
328.3 |
0.1 |
0.707 |
6 |
2 |
0 |
0.000 |
| 7 |
23 |
|
[TPP]F:601 |
25 |
1 |
593 |
f |
F |
x,y,z |
1_555 |
46 |
20 |
22021 |
307.9 |
-9.5 |
0.351 |
11 |
0 |
0 |
0.315 |
24 |
|
[TPP]D:601 |
25 |
1 |
593 |
f |
D |
x,y,z |
1_555 |
46 |
19 |
21992 |
307.3 |
-9.7 |
0.347 |
11 |
0 |
0 |
0.315 |
25 |
|
[TPP]H:601 |
25 |
1 |
590 |
f |
H |
x,y,z |
1_555 |
48 |
19 |
22016 |
306.8 |
-9.6 |
0.360 |
12 |
0 |
0 |
0.315 |
26 |
|
[TPP]A:601 |
25 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
21880 |
306.5 |
-9.5 |
0.348 |
11 |
0 |
0 |
0.315 |
27 |
|
[TPP]E:601 |
25 |
1 |
592 |
f |
E |
x,y,z |
1_555 |
46 |
20 |
21949 |
306.5 |
-9.5 |
0.351 |
11 |
0 |
0 |
0.315 |
28 |
|
[TPP]C:601 |
25 |
1 |
593 |
f |
C |
x,y,z |
1_555 |
45 |
19 |
21868 |
306.4 |
-9.6 |
0.334 |
11 |
0 |
0 |
0.315 |
29 |
|
[TPP]G:601 |
25 |
1 |
590 |
f |
G |
x,y,z |
1_555 |
44 |
19 |
21977 |
306.0 |
-9.6 |
0.346 |
11 |
0 |
0 |
0.315 |
30 |
|
[TPP]B:601 |
25 |
1 |
591 |
f |
B |
x,y,z |
1_555 |
47 |
19 |
22016 |
302.2 |
-9.5 |
0.349 |
12 |
0 |
0 |
0.315 |
| Average: |
306.2 |
-9.6 |
0.348 |
11 |
0 |
0 |
0.315 |
| 8 |
31 |
|
H |
24 |
9 |
22016 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
28 |
10 |
22016 |
276.4 |
3.9 |
0.932 |
7 |
12 |
0 |
0.000 |
32 |
|
D |
26 |
9 |
21992 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
10 |
21977 |
270.2 |
4.7 |
0.960 |
9 |
13 |
0 |
0.000 |
| Average: |
273.3 |
4.3 |
0.946 |
8 |
13 |
0 |
0.000 |
| 9 |
33 |
|
F |
29 |
9 |
22021 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
32 |
15 |
22016 |
248.4 |
3.6 |
0.924 |
2 |
1 |
0 |
0.000 |
34 |
|
C |
30 |
13 |
21868 |
◊ |
H |
x-1/2,-y-3/2,-z |
4_435 |
30 |
10 |
22016 |
235.6 |
3.0 |
0.905 |
2 |
1 |
0 |
0.000 |
35 |
|
E |
28 |
9 |
21949 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
27 |
13 |
21992 |
234.9 |
3.3 |
0.924 |
2 |
1 |
0 |
0.000 |
36 |
|
A |
30 |
13 |
21880 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
32 |
10 |
21977 |
231.9 |
2.8 |
0.890 |
2 |
1 |
0 |
0.000 |
| Average: |
237.7 |
3.2 |
0.911 |
2 |
1 |
0 |
0.000 |
| 10 |
37 |
|
C |
21 |
4 |
21868 |
◊ |
D |
x-1/2,-y-3/2,-z |
4_435 |
19 |
4 |
21992 |
176.6 |
0.6 |
0.675 |
1 |
3 |
0 |
0.000 |
38 |
|
A |
20 |
4 |
21880 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
19 |
4 |
22016 |
173.5 |
0.3 |
0.690 |
1 |
3 |
0 |
0.000 |
| Average: |
175.0 |
0.5 |
0.682 |
1 |
3 |
0 |
0.000 |
| 11 |
39 |
|
C |
21 |
8 |
21868 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
18 |
7 |
21977 |
158.0 |
2.2 |
0.870 |
4 |
5 |
0 |
0.000 |
40 |
|
H |
19 |
7 |
22016 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
9 |
21880 |
155.9 |
2.0 |
0.863 |
4 |
5 |
0 |
0.000 |
| Average: |
156.9 |
2.1 |
0.867 |
4 |
5 |
0 |
0.000 |
| 12 |
41 |
|
[TPP]B:601 |
14 |
1 |
591 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
21880 |
150.9 |
1.0 |
0.676 |
0 |
0 |
0 |
0.000 |
42 |
|
[TPP]C:601 |
13 |
1 |
593 |
◊ |
D |
x,y,z |
1_555 |
21 |
10 |
21992 |
149.1 |
1.2 |
0.715 |
0 |
0 |
0 |
0.000 |
43 |
|
[TPP]D:601 |
13 |
1 |
593 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
21868 |
148.8 |
1.1 |
0.722 |
0 |
0 |
0 |
0.000 |
44 |
|
[TPP]E:601 |
13 |
1 |
592 |
◊ |
H |
x,y,z |
1_555 |
21 |
10 |
22016 |
148.5 |
1.1 |
0.718 |
0 |
0 |
0 |
0.000 |
45 |
|
[TPP]A:601 |
13 |
1 |
590 |
◊ |
B |
x,y,z |
1_555 |
21 |
10 |
22016 |
148.4 |
1.2 |
0.718 |
0 |
0 |
0 |
0.000 |
46 |
|
[TPP]H:601 |
13 |
1 |
590 |
◊ |
E |
x,y,z |
1_555 |
21 |
10 |
21949 |
148.0 |
1.2 |
0.725 |
0 |
0 |
0 |
0.000 |
47 |
|
[TPP]F:601 |
13 |
1 |
593 |
◊ |
G |
x,y,z |
1_555 |
21 |
10 |
21977 |
147.8 |
1.2 |
0.724 |
0 |
0 |
0 |
0.000 |
48 |
|
[TPP]G:601 |
13 |
1 |
590 |
◊ |
F |
x,y,z |
1_555 |
22 |
10 |
22021 |
145.5 |
1.2 |
0.735 |
0 |
0 |
0 |
0.000 |
| Average: |
148.4 |
1.1 |
0.717 |
0 |
0 |
0 |
0.000 |
| 13 |
49 |
|
D |
21 |
10 |
21992 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
22016 |
122.9 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
| 14 |
50 |
|
F |
7 |
3 |
22021 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
3 |
21880 |
75.1 |
1.1 |
0.826 |
2 |
1 |
0 |
0.000 |
51 |
|
D |
7 |
3 |
21992 |
◊ |
H |
x-1/2,-y-3/2,-z |
4_435 |
9 |
3 |
22016 |
70.9 |
1.1 |
0.835 |
1 |
2 |
0 |
0.000 |
52 |
|
B |
9 |
3 |
22016 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
21977 |
66.2 |
1.0 |
0.818 |
1 |
0 |
0 |
0.000 |
53 |
|
E |
6 |
3 |
21949 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
10 |
3 |
21868 |
65.4 |
0.9 |
0.816 |
2 |
0 |
0 |
0.000 |
| Average: |
69.4 |
1.0 |
0.824 |
2 |
1 |
0 |
0.000 |
| 15 |
54 |
|
D |
8 |
4 |
21992 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
5 |
22021 |
62.1 |
1.2 |
0.841 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
12 |
5 |
21949 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
4 |
22016 |
47.7 |
0.8 |
0.771 |
0 |
0 |
0 |
0.000 |
| Average: |
54.9 |
1.0 |
0.806 |
0 |
0 |
0 |
0.000 |
| 16 |
56 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
21880 |
37.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.130 |
57 |
|
[MG]D:603 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
10 |
21992 |
36.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.130 |
58 |
|
[MG]E:603 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
13 |
10 |
21949 |
36.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.130 |
59 |
|
[MG]G:603 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
9 |
21977 |
36.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.130 |
60 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
10 |
22016 |
36.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.130 |
61 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
9 |
21868 |
36.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.130 |
62 |
|
[MG]F:603 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
9 |
22021 |
36.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.130 |
63 |
|
[MG]H:603 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
8 |
22016 |
36.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
36.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.130 |
| 17 |
64 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
[TPP]C:601 |
x,y,z |
1_555 |
5 |
1 |
593 |
32.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.110 |
65 |
|
[MG]E:603 |
1 |
1 |
98 |
f |
[TPP]E:601 |
x,y,z |
1_555 |
4 |
1 |
592 |
31.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
66 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[TPP]B:601 |
x,y,z |
1_555 |
4 |
1 |
591 |
31.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
67 |
|
[MG]D:603 |
1 |
1 |
98 |
f |
[TPP]D:601 |
x,y,z |
1_555 |
4 |
1 |
593 |
31.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
68 |
|
[MG]F:603 |
1 |
1 |
98 |
f |
[TPP]F:601 |
x,y,z |
1_555 |
4 |
1 |
593 |
31.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
69 |
|
[MG]G:603 |
1 |
1 |
98 |
f |
[TPP]G:601 |
x,y,z |
1_555 |
5 |
1 |
590 |
31.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
70 |
|
[MG]H:603 |
1 |
1 |
98 |
f |
[TPP]H:601 |
x,y,z |
1_555 |
4 |
1 |
590 |
31.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.110 |
71 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[TPP]A:601 |
x,y,z |
1_555 |
4 |
1 |
590 |
31.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
31.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.110 |
| 18 |
72 |
|
H |
6 |
3 |
22016 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
22016 |
25.1 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
|