## |
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 |
|
N |
140 |
33 |
10220 |
◊ |
F |
x,y,z |
1_555 |
174 |
53 |
15062 |
1593.5 |
-11.2 |
0.390 |
17 |
6 |
0 |
0.501 |
2 |
|
M |
133 |
34 |
10449 |
◊ |
C |
x,y,z |
1_555 |
162 |
47 |
16510 |
1522.3 |
-11.5 |
0.306 |
19 |
5 |
0 |
0.501 |
Average: |
1557.9 |
-11.4 |
0.348 |
18 |
6 |
0 |
0.501 |
2 |
3 |
|
M |
126 |
34 |
10449 |
◊ |
B |
x,y,z |
1_555 |
147 |
47 |
15149 |
1383.6 |
-11.7 |
0.322 |
12 |
2 |
0 |
0.444 |
4 |
|
N |
121 |
33 |
10220 |
◊ |
E |
x,y,z |
1_555 |
143 |
47 |
15105 |
1283.3 |
-11.3 |
0.424 |
15 |
0 |
0 |
0.444 |
Average: |
1333.4 |
-11.5 |
0.373 |
14 |
1 |
0 |
0.444 |
3 |
5 |
|
M |
68 |
21 |
10449 |
◊ |
A |
x,y,z |
1_555 |
82 |
22 |
14003 |
761.1 |
-10.2 |
0.269 |
6 |
0 |
0 |
0.351 |
6 |
|
N |
59 |
18 |
10220 |
◊ |
D |
x,y,z |
1_555 |
80 |
23 |
15301 |
703.0 |
-8.3 |
0.337 |
4 |
0 |
0 |
0.351 |
Average: |
732.1 |
-9.3 |
0.303 |
5 |
0 |
0 |
0.351 |
4 |
7 |
|
[ATP]A:1376 |
31 |
1 |
647 |
f |
A |
x,y,z |
1_555 |
77 |
28 |
14003 |
486.6 |
-3.2 |
0.623 |
17 |
0 |
0 |
0.293 |
8 |
|
[ATP]C:1376 |
31 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
80 |
28 |
16510 |
480.7 |
-2.9 |
0.585 |
16 |
0 |
0 |
0.293 |
9 |
|
[ATP]F:1376 |
31 |
1 |
646 |
f |
F |
x,y,z |
1_555 |
77 |
28 |
15062 |
470.0 |
-2.6 |
0.623 |
17 |
0 |
0 |
0.293 |
10 |
|
[ATP]E:1376 |
31 |
1 |
651 |
f |
E |
x,y,z |
1_555 |
79 |
28 |
15105 |
467.0 |
-2.7 |
0.626 |
17 |
0 |
0 |
0.293 |
11 |
|
[ATP]D:1376 |
31 |
1 |
640 |
f |
D |
x,y,z |
1_555 |
75 |
28 |
15301 |
466.7 |
-3.5 |
0.585 |
17 |
0 |
0 |
0.293 |
12 |
|
[ATP]B:1376 |
31 |
1 |
642 |
f |
B |
x,y,z |
1_555 |
77 |
28 |
15149 |
462.2 |
-2.8 |
0.608 |
16 |
0 |
0 |
0.293 |
Average: |
472.2 |
-3.0 |
0.608 |
17 |
0 |
0 |
0.293 |
5 |
13 |
|
A |
38 |
16 |
14003 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
41 |
15 |
15301 |
376.4 |
-1.4 |
0.648 |
2 |
1 |
0 |
0.000 |
6 |
14 |
|
D |
38 |
11 |
15301 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
15149 |
325.8 |
-0.9 |
0.618 |
8 |
0 |
0 |
0.016 |
7 |
15 |
|
F |
37 |
14 |
15062 |
◊ |
C |
x,y,z |
1_555 |
37 |
10 |
16510 |
324.1 |
-0.9 |
0.664 |
6 |
0 |
0 |
0.013 |
8 |
16 |
|
D |
43 |
12 |
15301 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
16510 |
316.7 |
-5.2 |
0.088 |
4 |
0 |
0 |
0.026 |
9 |
17 |
|
M |
32 |
7 |
10449 |
◊ |
F |
x,y,z |
1_555 |
32 |
13 |
15062 |
296.9 |
-2.5 |
0.477 |
4 |
2 |
0 |
0.017 |
10 |
18 |
|
N |
36 |
11 |
10220 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
31 |
12 |
15149 |
293.8 |
-5.1 |
0.229 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
F |
39 |
13 |
15062 |
◊ |
E |
x,y,z |
1_555 |
19 |
9 |
15105 |
274.6 |
-1.9 |
0.484 |
3 |
3 |
0 |
0.044 |
20 |
|
C |
33 |
12 |
16510 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
15149 |
232.8 |
-1.7 |
0.475 |
1 |
2 |
0 |
0.044 |
21 |
|
B |
29 |
10 |
15149 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
14003 |
231.4 |
-1.5 |
0.548 |
2 |
2 |
0 |
0.044 |
22 |
|
E |
30 |
12 |
15105 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
15301 |
222.8 |
-1.8 |
0.449 |
2 |
2 |
0 |
0.044 |
Average: |
240.4 |
-1.7 |
0.489 |
2 |
2 |
0 |
0.044 |
12 |
23 |
|
E |
32 |
9 |
15105 |
◊ |
C |
x,y,z |
1_555 |
32 |
11 |
16510 |
272.0 |
0.4 |
0.719 |
3 |
2 |
0 |
0.005 |
13 |
24 |
|
F |
19 |
8 |
15062 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
9 |
15105 |
243.6 |
-3.3 |
0.225 |
2 |
0 |
0 |
0.000 |
14 |
25 |
|
C |
18 |
4 |
16510 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
21 |
10 |
15105 |
171.2 |
-1.2 |
0.515 |
2 |
0 |
0 |
0.000 |
15 |
26 |
|
A |
20 |
6 |
14003 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
4 |
16510 |
170.6 |
-2.3 |
0.348 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[GOL]B:1378 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
15149 |
135.5 |
-0.2 |
0.606 |
4 |
0 |
0 |
0.050 |
17 |
28 |
|
[GOL]C:1378 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
16510 |
129.0 |
0.3 |
0.689 |
3 |
0 |
0 |
0.026 |
18 |
29 |
|
N |
10 |
5 |
10220 |
◊ |
C |
x,y,z |
1_555 |
21 |
10 |
16510 |
125.5 |
-1.9 |
0.333 |
0 |
0 |
0 |
0.007 |
19 |
30 |
|
[GOL]A:1378 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14003 |
124.2 |
0.2 |
0.702 |
4 |
0 |
0 |
0.042 |
20 |
31 |
|
[GOL]F:1378 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
15062 |
119.5 |
-1.0 |
0.466 |
4 |
0 |
0 |
0.061 |
21 |
32 |
|
[GOL]E:1378 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
15105 |
118.1 |
-0.6 |
0.491 |
4 |
0 |
0 |
0.055 |
22 |
33 |
|
N |
14 |
4 |
10220 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
3 |
15301 |
115.2 |
0.0 |
0.593 |
3 |
0 |
0 |
0.000 |
23 |
34 |
|
[GOL]A:1379 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14003 |
105.2 |
-0.2 |
0.578 |
2 |
0 |
0 |
0.031 |
24 |
35 |
|
A |
11 |
6 |
14003 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
12 |
5 |
10449 |
92.8 |
-1.0 |
0.519 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[GOL]N:1529 |
6 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
17 |
8 |
15062 |
89.8 |
-0.5 |
0.591 |
0 |
0 |
0 |
0.011 |
26 |
37 |
|
[GOL]N:1529 |
6 |
1 |
218 |
f |
N |
x,y,z |
1_555 |
16 |
4 |
10220 |
78.4 |
0.1 |
0.666 |
3 |
0 |
0 |
0.052 |
27 |
38 |
|
[GOL]C:1379 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
16510 |
77.1 |
0.4 |
0.719 |
3 |
0 |
0 |
0.003 |
28 |
39 |
|
F |
8 |
3 |
15062 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
4 |
14003 |
73.5 |
0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[GOL]C:1379 |
6 |
1 |
216 |
f |
N |
x,y,z |
1_555 |
8 |
3 |
10220 |
70.9 |
-1.2 |
0.436 |
0 |
0 |
0 |
0.048 |
30 |
41 |
|
[MG]A:1377 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
14003 |
54.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.168 |
42 |
|
[MG]E:1377 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
15105 |
54.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.168 |
43 |
|
[MG]C:1377 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
16510 |
53.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.168 |
44 |
|
[MG]F:1377 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
15062 |
53.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.168 |
45 |
|
[MG]B:1377 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15149 |
52.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.168 |
46 |
|
[MG]D:1377 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
15301 |
52.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
53.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.168 |
31 |
47 |
|
[GOL]F:1378 |
4 |
1 |
218 |
◊ |
M |
x,y,z |
1_555 |
11 |
3 |
10449 |
51.1 |
0.2 |
0.643 |
1 |
0 |
0 |
0.000 |
32 |
48 |
|
[GOL]A:1378 |
5 |
1 |
216 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
2 |
10449 |
45.7 |
-0.8 |
0.489 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
B |
8 |
3 |
15149 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
7 |
4 |
16510 |
40.3 |
1.0 |
0.838 |
1 |
1 |
0 |
0.000 |
34 |
50 |
|
[GOL]C:1379 |
4 |
1 |
216 |
◊ |
[GOL]C:1378 |
x,y,z |
1_555 |
2 |
1 |
218 |
34.8 |
-0.6 |
0.403 |
0 |
0 |
0 |
0.002 |
35 |
51 |
|
[MG]C:1377 |
1 |
1 |
98 |
f |
[ATP]C:1376 |
x,y,z |
1_555 |
4 |
1 |
643 |
32.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.115 |
52 |
|
[MG]B:1377 |
1 |
1 |
98 |
f |
[ATP]B:1376 |
x,y,z |
1_555 |
5 |
1 |
642 |
31.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.115 |
53 |
|
[MG]A:1377 |
1 |
1 |
98 |
f |
[ATP]A:1376 |
x,y,z |
1_555 |
3 |
1 |
647 |
31.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.115 |
54 |
|
[MG]F:1377 |
1 |
1 |
98 |
f |
[ATP]F:1376 |
x,y,z |
1_555 |
4 |
1 |
646 |
31.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.115 |
55 |
|
[MG]E:1377 |
1 |
1 |
98 |
f |
[ATP]E:1376 |
x,y,z |
1_555 |
3 |
1 |
651 |
30.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.115 |
56 |
|
[MG]D:1377 |
1 |
1 |
98 |
f |
[ATP]D:1376 |
x,y,z |
1_555 |
5 |
1 |
640 |
30.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
31.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.115 |
36 |
57 |
|
[ATP]E:1376 |
2 |
1 |
651 |
◊ |
N |
x,y,z |
1_555 |
3 |
1 |
10220 |
29.0 |
0.5 |
0.671 |
0 |
0 |
0 |
0.000 |
58 |
|
[ATP]B:1376 |
2 |
1 |
642 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
10449 |
28.7 |
0.4 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
28.9 |
0.5 |
0.657 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
[ATP]F:1376 |
3 |
1 |
646 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
10220 |
25.2 |
0.6 |
0.691 |
0 |
0 |
0 |
0.000 |
60 |
|
[ATP]C:1376 |
2 |
1 |
643 |
◊ |
M |
x,y,z |
1_555 |
4 |
1 |
10449 |
19.7 |
0.8 |
0.692 |
0 |
0 |
0 |
0.000 |
Average: |
22.5 |
0.7 |
0.691 |
0 |
0 |
0 |
0.000 |
38 |
61 |
|
[GOL]C:1379 |
4 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
15105 |
21.1 |
-0.3 |
0.242 |
0 |
0 |
0 |
0.008 |
39 |
62 |
|
[ATP]F:1376 |
2 |
1 |
646 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
15105 |
8.3 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
[ATP]E:1376 |
2 |
1 |
651 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15301 |
7.8 |
0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
64 |
|
[ATP]B:1376 |
1 |
1 |
642 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14003 |
4.5 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
65 |
|
[ATP]C:1376 |
1 |
1 |
643 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15149 |
1.0 |
0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
Average: |
4.4 |
0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
41 |
66 |
|
[GOL]C:1378 |
2 |
1 |
218 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
10220 |
4.4 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
42 |
67 |
|
[GOL]A:1379 |
1 |
1 |
218 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
15301 |
4.2 |
0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
43 |
68 |
|
E |
1 |
1 |
15105 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14003 |
2.9 |
0.1 |
0.761 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
B |
1 |
1 |
15149 |
◊ |
N |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10220 |
2.7 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|