## |
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 |
|
F |
97 |
26 |
6597 |
◊ |
F |
-x,y,-z+1/2 |
3_555 |
98 |
26 |
6597 |
938.1 |
0.4 |
0.599 |
10 |
10 |
0 |
0.235 |
2 |
|
B |
98 |
27 |
6555 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
96 |
27 |
6555 |
917.8 |
0.7 |
0.697 |
10 |
8 |
0 |
0.235 |
3 |
|
C |
94 |
25 |
6676 |
◊ |
A |
x,y,z |
1_555 |
94 |
26 |
6587 |
894.6 |
0.1 |
0.582 |
19 |
10 |
0 |
0.235 |
4 |
|
E |
96 |
25 |
6495 |
◊ |
D |
x,y,z |
1_555 |
91 |
26 |
6608 |
873.8 |
-2.0 |
0.473 |
18 |
9 |
0 |
0.235 |
Average: |
906.1 |
-0.2 |
0.588 |
14 |
9 |
0 |
0.235 |
2 |
5 |
|
C |
37 |
10 |
6676 |
◊ |
C |
-x,y,-z+3/2 |
3_556 |
37 |
10 |
6676 |
313.2 |
-0.1 |
0.562 |
3 |
4 |
0 |
0.000 |
6 |
|
D |
37 |
10 |
6608 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
37 |
10 |
6555 |
312.9 |
-0.1 |
0.577 |
3 |
4 |
0 |
0.000 |
7 |
|
F |
37 |
10 |
6597 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
6587 |
309.4 |
-0.0 |
0.565 |
2 |
4 |
0 |
0.000 |
8 |
|
E |
34 |
10 |
6495 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
34 |
10 |
6495 |
303.9 |
0.1 |
0.616 |
3 |
4 |
0 |
0.000 |
Average: |
309.9 |
-0.0 |
0.580 |
3 |
4 |
0 |
0.000 |
3 |
9 |
|
[LAT]C:203 |
19 |
1 |
466 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
6676 |
215.8 |
2.8 |
0.563 |
4 |
0 |
0 |
0.000 |
10 |
|
[LAT]F:203 |
19 |
1 |
466 |
◊ |
F |
x,y,z |
1_555 |
30 |
10 |
6597 |
215.2 |
3.2 |
0.587 |
5 |
0 |
0 |
0.000 |
11 |
|
[LAT]B:202 |
19 |
1 |
467 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
6555 |
214.8 |
3.0 |
0.589 |
5 |
0 |
0 |
0.000 |
12 |
|
[LAT]E:203 |
20 |
1 |
462 |
◊ |
E |
x,y,z |
1_555 |
31 |
10 |
6495 |
214.1 |
2.8 |
0.574 |
4 |
0 |
0 |
0.000 |
13 |
|
[LAT]D:201 |
20 |
1 |
466 |
◊ |
D |
x,y,z |
1_555 |
30 |
10 |
6608 |
213.6 |
3.0 |
0.559 |
4 |
0 |
0 |
0.000 |
14 |
|
[LAT]A:205 |
20 |
1 |
464 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
6587 |
213.1 |
3.2 |
0.565 |
4 |
0 |
0 |
0.000 |
Average: |
214.4 |
3.0 |
0.573 |
4 |
0 |
0 |
0.000 |
4 |
15 |
|
E |
23 |
8 |
6495 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
6587 |
208.8 |
0.4 |
0.620 |
1 |
0 |
0 |
0.000 |
5 |
16 |
|
E |
22 |
7 |
6495 |
◊ |
C |
x,-y,-z+1 |
4_556 |
22 |
7 |
6676 |
179.6 |
-0.5 |
0.505 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
22 |
7 |
6608 |
◊ |
F |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
22 |
7 |
6597 |
177.5 |
-0.6 |
0.481 |
0 |
0 |
0 |
0.000 |
18 |
|
B |
23 |
7 |
6555 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
6587 |
175.9 |
-0.9 |
0.465 |
0 |
0 |
0 |
0.000 |
Average: |
177.7 |
-0.7 |
0.484 |
0 |
0 |
0 |
0.000 |
6 |
19 |
|
D |
17 |
5 |
6608 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
5 |
6676 |
143.1 |
0.4 |
0.584 |
0 |
0 |
0 |
0.000 |
7 |
20 |
|
F |
17 |
6 |
6597 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
13 |
6 |
6555 |
137.7 |
0.6 |
0.601 |
0 |
0 |
0 |
0.000 |
8 |
21 |
|
[GOL]A:203 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
6587 |
121.0 |
0.6 |
0.670 |
3 |
0 |
0 |
0.017 |
9 |
22 |
|
[SO4]E:201 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
6495 |
82.8 |
-12.1 |
0.752 |
3 |
0 |
0 |
0.092 |
10 |
23 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6587 |
82.3 |
-12.1 |
0.758 |
3 |
0 |
0 |
0.321 |
11 |
24 |
|
[GOL]C:202 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
6676 |
65.8 |
0.7 |
0.674 |
1 |
0 |
0 |
0.002 |
25 |
|
[GOL]E:202 |
5 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
6495 |
64.7 |
0.6 |
0.657 |
2 |
0 |
0 |
0.002 |
Average: |
65.2 |
0.7 |
0.665 |
2 |
0 |
0 |
0.002 |
12 |
26 |
|
[GOL]F:202 |
5 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
6597 |
65.7 |
0.7 |
0.666 |
1 |
0 |
0 |
0.000 |
13 |
27 |
|
[GOL]B:201 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
6555 |
64.9 |
0.7 |
0.674 |
2 |
0 |
0 |
0.000 |
28 |
|
[GOL]A:204 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
6587 |
62.7 |
0.7 |
0.697 |
3 |
0 |
0 |
0.000 |
Average: |
63.8 |
0.7 |
0.685 |
3 |
0 |
0 |
0.000 |
14 |
29 |
|
[LAT]B:202 |
7 |
1 |
467 |
◊ |
[LAT]A:205 |
x,y,z |
1_555 |
9 |
1 |
464 |
62.9 |
1.4 |
0.396 |
0 |
0 |
0 |
0.000 |
30 |
|
[LAT]E:203 |
8 |
1 |
462 |
◊ |
[LAT]C:203 |
x,-y,-z+1 |
4_556 |
8 |
1 |
466 |
61.9 |
1.3 |
0.394 |
0 |
0 |
0 |
0.000 |
31 |
|
[LAT]D:201 |
8 |
1 |
466 |
◊ |
[LAT]F:203 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
7 |
1 |
466 |
61.2 |
1.3 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
62.0 |
1.3 |
0.399 |
0 |
0 |
0 |
0.000 |
15 |
32 |
|
[GOL]E:202 |
4 |
1 |
220 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
8 |
5 |
6495 |
58.0 |
0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
33 |
|
[GOL]C:202 |
4 |
1 |
220 |
◊ |
C |
-x,y,-z+3/2 |
3_556 |
8 |
5 |
6676 |
56.9 |
0.6 |
0.625 |
0 |
0 |
0 |
0.000 |
34 |
|
[GOL]F:202 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
6587 |
56.8 |
0.5 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
57.2 |
0.5 |
0.606 |
0 |
0 |
0 |
0.000 |
16 |
35 |
|
[GOL]A:204 |
4 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
6597 |
57.5 |
0.5 |
0.613 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
8 |
5 |
6608 |
f |
[GOL]B:201 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
219 |
56.3 |
0.5 |
0.595 |
0 |
0 |
0 |
0.000 |
Average: |
56.9 |
0.5 |
0.604 |
0 |
0 |
0 |
0.000 |
17 |
37 |
|
D |
10 |
5 |
6608 |
f |
[LAT]F:203 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
466 |
52.1 |
-0.7 |
0.312 |
0 |
0 |
0 |
0.353 |
38 |
|
[LAT]D:201 |
4 |
1 |
466 |
f |
F |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
10 |
5 |
6597 |
51.5 |
-0.8 |
0.291 |
0 |
0 |
0 |
0.353 |
39 |
|
[LAT]B:202 |
4 |
1 |
467 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6587 |
51.2 |
-0.9 |
0.276 |
0 |
0 |
0 |
0.353 |
40 |
|
[LAT]C:203 |
4 |
1 |
466 |
f |
E |
x,-y,-z+1 |
4_556 |
9 |
4 |
6495 |
51.2 |
-0.9 |
0.292 |
0 |
0 |
0 |
0.353 |
41 |
|
[LAT]A:205 |
4 |
1 |
464 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
6555 |
51.1 |
-0.8 |
0.296 |
0 |
0 |
0 |
0.353 |
42 |
|
[LAT]E:203 |
4 |
1 |
462 |
f |
C |
x,-y,-z+1 |
4_556 |
9 |
4 |
6676 |
50.8 |
-0.6 |
0.313 |
0 |
0 |
0 |
0.353 |
Average: |
51.3 |
-0.8 |
0.297 |
0 |
0 |
0 |
0.353 |
18 |
43 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6587 |
46.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.157 |
19 |
44 |
|
[MG]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
6676 |
44.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.170 |
20 |
45 |
|
F |
4 |
3 |
6597 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
6495 |
39.3 |
0.8 |
0.679 |
0 |
0 |
0 |
0.000 |
21 |
46 |
|
[MG]F:201 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
6597 |
39.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.064 |
22 |
47 |
|
[MG]F:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6587 |
26.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
48 |
|
D |
1 |
1 |
6608 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
6587 |
25.8 |
0.6 |
0.893 |
0 |
0 |
0 |
0.000 |
49 |
|
F |
1 |
1 |
6597 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6555 |
25.2 |
0.6 |
0.893 |
0 |
0 |
0 |
0.000 |
50 |
|
E |
1 |
1 |
6495 |
◊ |
C |
-x,-y,z-1/2 |
2_554 |
1 |
1 |
6676 |
24.5 |
0.6 |
0.888 |
0 |
0 |
0 |
0.000 |
Average: |
25.2 |
0.6 |
0.891 |
0 |
0 |
0 |
0.000 |
24 |
51 |
|
[GOL]A:204 |
3 |
1 |
217 |
f |
[MG]F:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.035 |
25 |
52 |
|
[MG]C:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6587 |
25.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.069 |
26 |
53 |
|
C |
2 |
1 |
6676 |
◊ |
C |
x,-y,-z+1 |
4_556 |
2 |
1 |
6676 |
24.3 |
-0.8 |
0.149 |
0 |
0 |
0 |
0.000 |
27 |
54 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6555 |
24.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
55 |
|
[GOL]B:201 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6587 |
15.0 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
56 |
|
[GOL]A:204 |
2 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6555 |
13.3 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
29 |
57 |
|
D |
1 |
1 |
6608 |
◊ |
[GOL]F:202 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
2 |
1 |
220 |
14.8 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
58 |
|
[GOL]E:202 |
2 |
1 |
220 |
◊ |
C |
x,-y,-z+1 |
4_556 |
2 |
2 |
6676 |
14.4 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
59 |
|
[GOL]C:202 |
2 |
1 |
220 |
◊ |
E |
x,-y,-z+1 |
4_556 |
1 |
1 |
6495 |
13.5 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
30 |
60 |
|
[GOL]A:203 |
1 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
6495 |
7.9 |
0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
31 |
61 |
|
D |
1 |
1 |
6608 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6555 |
2.7 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
32 |
62 |
|
F |
1 |
1 |
6597 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6608 |
2.7 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
33 |
63 |
|
[GOL]A:204 |
1 |
1 |
217 |
◊ |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|