| ## |
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 |
|
H |
205 |
53 |
13467 |
◊ |
F |
x,y,z |
1_555 |
219 |
55 |
13439 |
1996.1 |
-13.9 |
0.195 |
27 |
19 |
0 |
0.069 |
2 |
|
D |
209 |
53 |
13456 |
◊ |
B |
x,y,z |
1_555 |
209 |
54 |
13265 |
1985.3 |
-14.2 |
0.189 |
28 |
18 |
0 |
0.069 |
| Average: |
1990.7 |
-14.1 |
0.192 |
28 |
19 |
0 |
0.069 |
| 2 |
3 |
|
C |
192 |
54 |
17515 |
◊ |
A |
x,y,z |
1_555 |
196 |
53 |
17589 |
1787.6 |
-23.9 |
0.060 |
25 |
0 |
0 |
0.503 |
4 |
|
G |
191 |
52 |
17878 |
◊ |
E |
x,y,z |
1_555 |
190 |
52 |
17419 |
1783.0 |
-22.5 |
0.073 |
25 |
0 |
0 |
0.503 |
| Average: |
1785.3 |
-23.2 |
0.067 |
25 |
0 |
0 |
0.503 |
| 3 |
5 |
|
D |
184 |
52 |
13456 |
◊ |
C |
x,y,z |
1_555 |
176 |
46 |
17515 |
1681.6 |
-22.6 |
0.021 |
20 |
4 |
0 |
0.153 |
6 |
|
B |
173 |
49 |
13265 |
◊ |
A |
x,y,z |
1_555 |
174 |
46 |
17589 |
1671.7 |
-22.1 |
0.027 |
22 |
4 |
0 |
0.153 |
7 |
|
H |
175 |
51 |
13467 |
◊ |
G |
x,y,z |
1_555 |
175 |
47 |
17878 |
1655.5 |
-20.5 |
0.034 |
21 |
4 |
0 |
0.153 |
8 |
|
F |
173 |
50 |
13439 |
◊ |
E |
x,y,z |
1_555 |
177 |
45 |
17419 |
1647.5 |
-21.9 |
0.026 |
17 |
5 |
0 |
0.153 |
| Average: |
1664.1 |
-21.8 |
0.027 |
20 |
4 |
0 |
0.153 |
| 4 |
9 |
|
D |
138 |
40 |
13456 |
◊ |
A |
x,y,z |
1_555 |
133 |
39 |
17589 |
1216.5 |
-13.9 |
0.079 |
15 |
1 |
0 |
0.098 |
10 |
|
H |
130 |
40 |
13467 |
◊ |
E |
x,y,z |
1_555 |
128 |
38 |
17419 |
1213.2 |
-13.5 |
0.071 |
13 |
1 |
0 |
0.098 |
11 |
|
B |
135 |
41 |
13265 |
◊ |
C |
x,y,z |
1_555 |
130 |
38 |
17515 |
1170.0 |
-13.6 |
0.066 |
16 |
1 |
0 |
0.098 |
12 |
|
F |
129 |
39 |
13439 |
◊ |
G |
x,y,z |
1_555 |
129 |
39 |
17878 |
1164.6 |
-14.7 |
0.051 |
16 |
2 |
0 |
0.098 |
| Average: |
1191.1 |
-13.9 |
0.066 |
15 |
1 |
0 |
0.098 |
| 5 |
13 |
|
A |
101 |
36 |
17589 |
◊ |
C |
x-1,y,z |
1_455 |
102 |
37 |
17515 |
906.3 |
0.5 |
0.803 |
5 |
2 |
0 |
0.000 |
| 6 |
14 |
|
H |
81 |
22 |
13467 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
84 |
21 |
13456 |
739.6 |
-2.0 |
0.593 |
4 |
4 |
0 |
0.000 |
| 7 |
15 |
|
H |
47 |
14 |
13467 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
44 |
14 |
13456 |
390.6 |
4.1 |
0.898 |
5 |
2 |
0 |
0.000 |
| 8 |
16 |
|
J |
41 |
9 |
2839 |
◊ |
H |
x,y,z |
1_555 |
37 |
8 |
13467 |
350.1 |
-1.4 |
0.611 |
6 |
2 |
0 |
0.013 |
17 |
|
I |
36 |
9 |
2899 |
◊ |
B |
x,y,z |
1_555 |
41 |
10 |
13265 |
317.8 |
-3.7 |
0.381 |
4 |
1 |
0 |
0.013 |
| Average: |
334.0 |
-2.6 |
0.496 |
5 |
2 |
0 |
0.013 |
| 9 |
18 |
|
[TPW]G:1370 |
26 |
1 |
589 |
f |
G |
x,y,z |
1_555 |
49 |
19 |
17878 |
324.0 |
-2.3 |
0.533 |
11 |
0 |
0 |
0.227 |
19 |
|
[TPW]E:1370 |
26 |
1 |
592 |
f |
E |
x,y,z |
1_555 |
45 |
16 |
17419 |
322.9 |
-3.4 |
0.425 |
9 |
0 |
0 |
0.227 |
20 |
|
[TPW]C:1370 |
26 |
1 |
592 |
f |
C |
x,y,z |
1_555 |
47 |
18 |
17515 |
305.0 |
-3.4 |
0.410 |
9 |
0 |
0 |
0.227 |
21 |
|
[TPW]A:1370 |
25 |
1 |
585 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
17589 |
298.8 |
-3.5 |
0.420 |
11 |
0 |
0 |
0.227 |
| Average: |
312.7 |
-3.2 |
0.447 |
10 |
0 |
0 |
0.227 |
| 10 |
22 |
|
G |
31 |
9 |
17878 |
◊ |
C |
x-1,y,z-1 |
1_454 |
35 |
10 |
17515 |
275.3 |
1.4 |
0.811 |
1 |
4 |
0 |
0.000 |
| 11 |
23 |
|
I |
22 |
7 |
2899 |
◊ |
D |
x,y,z |
1_555 |
34 |
8 |
13456 |
254.2 |
-3.7 |
0.263 |
1 |
0 |
0 |
0.010 |
24 |
|
J |
21 |
6 |
2839 |
◊ |
F |
x,y,z |
1_555 |
31 |
8 |
13439 |
251.9 |
-3.9 |
0.222 |
1 |
0 |
0 |
0.010 |
| Average: |
253.1 |
-3.8 |
0.243 |
1 |
0 |
0 |
0.010 |
| 12 |
25 |
|
J |
26 |
7 |
2839 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
31 |
8 |
13456 |
222.9 |
-0.4 |
0.652 |
1 |
1 |
0 |
0.000 |
| 13 |
26 |
|
[TPW]E:1370 |
18 |
1 |
592 |
◊ |
H |
x,y,z |
1_555 |
26 |
9 |
13467 |
177.0 |
2.2 |
0.524 |
0 |
0 |
0 |
0.000 |
27 |
|
[TPW]G:1370 |
19 |
1 |
589 |
◊ |
F |
x,y,z |
1_555 |
28 |
9 |
13439 |
167.2 |
2.2 |
0.574 |
0 |
0 |
0 |
0.000 |
28 |
|
[TPW]A:1370 |
18 |
1 |
585 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
13456 |
159.7 |
1.9 |
0.522 |
0 |
0 |
0 |
0.000 |
29 |
|
[TPW]C:1370 |
18 |
1 |
592 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
13265 |
155.3 |
1.7 |
0.481 |
0 |
0 |
0 |
0.000 |
| Average: |
164.8 |
2.0 |
0.525 |
0 |
0 |
0 |
0.000 |
| 14 |
30 |
|
G |
22 |
9 |
17878 |
◊ |
B |
x,y,z-1 |
1_554 |
23 |
9 |
13265 |
171.4 |
0.4 |
0.687 |
1 |
1 |
0 |
0.000 |
| 15 |
31 |
|
A |
13 |
5 |
17589 |
◊ |
I |
x,y,z-1 |
1_554 |
17 |
6 |
2899 |
160.1 |
1.8 |
0.876 |
3 |
3 |
0 |
0.000 |
| 16 |
32 |
|
E |
21 |
4 |
17419 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
19 |
4 |
17589 |
146.6 |
-0.5 |
0.607 |
1 |
0 |
0 |
0.000 |
| 17 |
33 |
|
G |
18 |
8 |
17878 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
8 |
17515 |
136.0 |
1.3 |
0.804 |
0 |
1 |
0 |
0.000 |
| 18 |
34 |
|
F |
22 |
8 |
13439 |
◊ |
C |
x,y,z |
1_555 |
24 |
6 |
17515 |
135.8 |
0.2 |
0.671 |
0 |
1 |
0 |
0.000 |
| 19 |
35 |
|
H |
20 |
7 |
13467 |
◊ |
I |
-x,y-1/2,-z+1 |
2_546 |
16 |
7 |
2899 |
125.6 |
0.5 |
0.761 |
1 |
0 |
0 |
0.000 |
| 20 |
36 |
|
[K]H:1325 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
15 |
9 |
13467 |
112.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.513 |
37 |
|
[K]B:1325 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
13265 |
112.5 |
-108.0 |
0.000 |
0 |
0 |
0 |
0.513 |
38 |
|
[K]F:1325 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
13439 |
112.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.513 |
39 |
|
[K]D:1325 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
13456 |
110.2 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.513 |
| Average: |
111.9 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.513 |
| 21 |
40 |
|
G |
12 |
6 |
17878 |
◊ |
E |
x-1,y,z |
1_455 |
21 |
8 |
17419 |
104.4 |
0.9 |
0.717 |
0 |
0 |
0 |
0.000 |
| 22 |
41 |
|
G |
15 |
7 |
17878 |
◊ |
B |
x-1,y,z-1 |
1_454 |
17 |
8 |
13265 |
87.5 |
0.0 |
0.653 |
1 |
1 |
0 |
0.000 |
| 23 |
42 |
|
[PYR]B:502 |
6 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
17515 |
80.7 |
2.4 |
0.432 |
0 |
0 |
0 |
0.000 |
| 24 |
43 |
|
F |
7 |
4 |
13439 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
17515 |
79.3 |
1.7 |
0.853 |
2 |
3 |
0 |
0.000 |
| 25 |
44 |
|
[PYR]D:502 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
13456 |
72.0 |
1.6 |
0.845 |
1 |
0 |
0 |
0.000 |
| 26 |
45 |
|
[PYR]D:502 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17589 |
68.9 |
0.5 |
0.556 |
0 |
0 |
0 |
0.000 |
| 27 |
46 |
|
[PYR]B:502 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13265 |
62.6 |
0.5 |
0.457 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
F |
5 |
2 |
13439 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
17589 |
51.7 |
1.6 |
0.898 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[PYR]D:502 |
6 |
1 |
218 |
f |
[TPW]A:1370 |
x,y,z |
1_555 |
6 |
1 |
585 |
49.4 |
1.3 |
0.763 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
[PYR]B:502 |
5 |
1 |
216 |
◊ |
[TPW]C:1370 |
x,y,z |
1_555 |
6 |
1 |
592 |
43.7 |
1.3 |
0.765 |
1 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[MG]G:1367 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
5 |
17878 |
38.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.181 |
51 |
|
[MG]E:1368 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
17419 |
37.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.181 |
52 |
|
[MG]A:1368 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
17589 |
36.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.181 |
53 |
|
[MG]C:1368 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
17515 |
36.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.181 |
| Average: |
37.4 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.181 |
| 32 |
54 |
|
[MG]B:1326 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13265 |
36.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.012 |
55 |
|
[MG]G:1326 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
13467 |
15.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
25.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| 33 |
56 |
|
[MG]G:1326 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
17878 |
34.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.018 |
57 |
|
[MG]G:1326 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
17419 |
28.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.018 |
58 |
|
[MG]B:1326 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
17589 |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
27.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.018 |
| 34 |
59 |
|
E |
4 |
2 |
17419 |
◊ |
F |
x,y,z-1 |
1_554 |
2 |
1 |
13439 |
32.7 |
2.0 |
0.945 |
0 |
1 |
0 |
0.000 |
60 |
|
A |
2 |
1 |
17589 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
13265 |
11.0 |
0.4 |
0.795 |
0 |
0 |
0 |
0.000 |
| Average: |
21.9 |
1.2 |
0.870 |
0 |
1 |
0 |
0.000 |
| 35 |
61 |
|
[TPW]G:1370 |
3 |
1 |
589 |
f |
[MG]G:1367 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.120 |
62 |
|
[TPW]E:1370 |
6 |
1 |
592 |
f |
[MG]E:1368 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.120 |
63 |
|
[TPW]A:1370 |
5 |
1 |
585 |
f |
[MG]A:1368 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.120 |
64 |
|
[TPW]C:1370 |
4 |
1 |
592 |
f |
[MG]C:1368 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.120 |
| Average: |
29.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.120 |
| 36 |
65 |
|
E |
3 |
1 |
17419 |
◊ |
J |
x,y,z-1 |
1_554 |
3 |
1 |
2839 |
27.6 |
-0.2 |
0.496 |
0 |
0 |
0 |
0.000 |
| 37 |
66 |
|
[MG]B:1326 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
17515 |
27.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 38 |
67 |
|
H |
2 |
1 |
13467 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
17419 |
21.2 |
0.2 |
0.487 |
0 |
0 |
0 |
0.000 |
| 39 |
68 |
|
H |
4 |
2 |
13467 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
17589 |
19.4 |
-0.3 |
0.418 |
0 |
0 |
0 |
0.000 |
| 40 |
69 |
|
B |
1 |
1 |
13265 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
17515 |
7.6 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
1 |
1 |
17589 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
13456 |
1.9 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
| Average: |
4.7 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
| 41 |
71 |
|
[MG]G:1326 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
13439 |
6.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
72 |
|
[MG]B:1326 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
13456 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 42 |
73 |
|
A |
1 |
1 |
17589 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
17589 |
3.1 |
-0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
| 43 |
74 |
|
E |
1 |
1 |
17419 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
13265 |
0.9 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
|