## |
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 |
|
G |
123 |
34 |
13330 |
◊ |
C |
x,y,z |
1_555 |
138 |
36 |
5149 |
1394.4 |
-28.8 |
0.040 |
7 |
0 |
0 |
1.000 |
2 |
|
H |
127 |
34 |
13508 |
◊ |
D |
x,y,z |
1_555 |
131 |
34 |
5388 |
1357.0 |
-26.2 |
0.085 |
8 |
1 |
0 |
1.000 |
Average: |
1375.7 |
-27.5 |
0.062 |
8 |
1 |
0 |
1.000 |
2 |
3 |
|
F |
129 |
34 |
10736 |
◊ |
B |
x,y,z |
1_555 |
139 |
38 |
5541 |
1379.7 |
-27.0 |
0.075 |
8 |
2 |
0 |
0.933 |
4 |
|
E |
126 |
34 |
11892 |
◊ |
A |
x,y,z |
1_555 |
134 |
36 |
5341 |
1364.9 |
-27.1 |
0.066 |
7 |
1 |
0 |
0.933 |
Average: |
1372.3 |
-27.1 |
0.070 |
8 |
2 |
0 |
0.933 |
3 |
5 |
|
E |
100 |
32 |
11892 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
99 |
32 |
11892 |
1008.4 |
-14.0 |
0.231 |
4 |
0 |
0 |
0.678 |
6 |
|
F |
87 |
30 |
10736 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
87 |
30 |
10736 |
903.4 |
-16.8 |
0.105 |
0 |
0 |
0 |
0.678 |
Average: |
955.9 |
-15.4 |
0.168 |
2 |
0 |
0 |
0.678 |
4 |
7 |
|
H |
69 |
20 |
13508 |
◊ |
G |
x,y,z |
1_555 |
73 |
21 |
13330 |
598.8 |
-10.5 |
0.283 |
4 |
0 |
0 |
0.119 |
5 |
8 |
|
H |
54 |
15 |
13508 |
◊ |
C |
x,y,z |
1_555 |
64 |
17 |
5149 |
535.7 |
-7.4 |
0.262 |
2 |
0 |
0 |
0.162 |
9 |
|
G |
47 |
15 |
13330 |
◊ |
D |
x,y,z |
1_555 |
55 |
16 |
5388 |
446.3 |
-7.6 |
0.226 |
2 |
0 |
0 |
0.162 |
Average: |
491.0 |
-7.5 |
0.244 |
2 |
0 |
0 |
0.162 |
6 |
10 |
|
H |
51 |
13 |
13508 |
◊ |
F |
x,y,z |
1_555 |
44 |
10 |
10736 |
440.8 |
-2.2 |
0.685 |
4 |
3 |
0 |
0.049 |
7 |
11 |
|
H |
35 |
10 |
13508 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
5341 |
423.3 |
-10.8 |
0.051 |
1 |
1 |
0 |
0.479 |
12 |
|
G |
29 |
9 |
13330 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
5541 |
338.7 |
-8.8 |
0.071 |
1 |
1 |
0 |
0.479 |
Average: |
381.0 |
-9.8 |
0.061 |
1 |
1 |
0 |
0.479 |
8 |
13 |
|
E |
36 |
11 |
11892 |
◊ |
D |
x,y,z |
1_555 |
37 |
14 |
5388 |
419.4 |
-8.3 |
0.158 |
0 |
0 |
0 |
0.141 |
14 |
|
F |
27 |
9 |
10736 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
5149 |
327.5 |
-8.5 |
0.086 |
0 |
0 |
0 |
0.141 |
Average: |
373.4 |
-8.4 |
0.122 |
0 |
0 |
0 |
0.141 |
9 |
15 |
|
G |
50 |
13 |
13330 |
◊ |
E |
x,y,z |
1_555 |
44 |
10 |
11892 |
397.9 |
-4.3 |
0.549 |
4 |
2 |
0 |
0.107 |
10 |
16 |
|
E |
38 |
8 |
11892 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
44 |
13 |
5341 |
348.3 |
-3.3 |
0.508 |
2 |
0 |
0 |
0.107 |
17 |
|
F |
30 |
8 |
10736 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
45 |
13 |
5541 |
294.9 |
-3.7 |
0.437 |
3 |
1 |
0 |
0.107 |
Average: |
321.6 |
-3.5 |
0.473 |
3 |
1 |
0 |
0.107 |
11 |
18 |
|
H |
29 |
8 |
13508 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
35 |
14 |
10736 |
306.7 |
-0.5 |
0.629 |
5 |
2 |
0 |
0.033 |
12 |
19 |
|
G |
30 |
7 |
13330 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
35 |
13 |
11892 |
300.3 |
-0.9 |
0.639 |
5 |
2 |
0 |
0.043 |
13 |
20 |
|
H |
24 |
7 |
13508 |
◊ |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
38 |
10 |
13330 |
286.1 |
-0.6 |
0.717 |
4 |
1 |
0 |
0.000 |
14 |
21 |
|
H |
32 |
10 |
13508 |
◊ |
E |
x,y,z |
1_555 |
25 |
6 |
11892 |
275.0 |
-3.5 |
0.447 |
1 |
0 |
0 |
0.038 |
22 |
|
G |
2 |
2 |
13330 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
10736 |
5.0 |
0.0 |
0.668 |
0 |
0 |
0 |
0.038 |
Average: |
140.0 |
-1.7 |
0.557 |
1 |
0 |
0 |
0.038 |
15 |
23 |
|
B |
24 |
6 |
5541 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
3_646 |
32 |
11 |
13508 |
268.1 |
-1.5 |
0.666 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
F |
31 |
8 |
10736 |
◊ |
F |
-x+1,-y,z |
2_655 |
31 |
8 |
10736 |
264.0 |
1.6 |
0.850 |
6 |
0 |
0 |
0.000 |
17 |
25 |
|
D |
25 |
12 |
5388 |
◊ |
A |
x,y,z |
1_555 |
26 |
12 |
5341 |
228.0 |
-3.3 |
0.425 |
2 |
0 |
0 |
0.072 |
26 |
|
C |
21 |
9 |
5149 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
5541 |
199.2 |
-3.1 |
0.364 |
3 |
0 |
0 |
0.072 |
Average: |
213.6 |
-3.2 |
0.394 |
3 |
0 |
0 |
0.072 |
18 |
27 |
|
G |
17 |
7 |
13330 |
◊ |
H |
x-1/2,-y+1/2,-z+2 |
4_457 |
23 |
7 |
13508 |
222.8 |
-2.0 |
0.409 |
1 |
1 |
0 |
0.000 |
19 |
28 |
|
G |
17 |
7 |
13330 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
21 |
7 |
5341 |
196.1 |
-2.3 |
0.535 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
F |
21 |
7 |
10736 |
◊ |
G |
-x+3/2,y-1/2,-z+1 |
3_646 |
23 |
7 |
13330 |
191.7 |
-0.7 |
0.595 |
0 |
2 |
0 |
0.000 |
21 |
30 |
|
E |
21 |
6 |
11892 |
◊ |
E |
-x+1,-y+2,z |
2_675 |
21 |
6 |
11892 |
178.0 |
-2.5 |
0.473 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
H |
12 |
5 |
13508 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
14 |
6 |
5541 |
136.7 |
-0.6 |
0.639 |
3 |
0 |
0 |
0.023 |
32 |
|
G |
12 |
5 |
13330 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
12 |
5 |
5341 |
125.5 |
-0.0 |
0.684 |
4 |
0 |
0 |
0.023 |
Average: |
131.1 |
-0.3 |
0.662 |
4 |
0 |
0 |
0.023 |
23 |
33 |
|
G |
11 |
4 |
13330 |
◊ |
E |
-x+3/2,y-1/2,-z+2 |
3_647 |
10 |
3 |
11892 |
107.8 |
-0.3 |
0.471 |
1 |
1 |
0 |
0.000 |
24 |
34 |
|
[GOL]E:2001 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
11892 |
96.4 |
-0.7 |
0.551 |
2 |
0 |
0 |
0.134 |
25 |
35 |
|
[GOL]F:2005 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
10736 |
95.8 |
-0.8 |
0.515 |
3 |
0 |
0 |
0.175 |
26 |
36 |
|
F |
9 |
3 |
10736 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
3_646 |
12 |
5 |
5149 |
91.2 |
1.8 |
0.875 |
3 |
0 |
0 |
0.000 |
27 |
37 |
|
E |
13 |
4 |
11892 |
◊ |
D |
-x+3/2,y-1/2,-z+2 |
3_647 |
10 |
4 |
5388 |
88.5 |
-2.1 |
0.385 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[SO4]H:1001 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
13508 |
82.2 |
-11.1 |
0.851 |
3 |
0 |
0 |
0.521 |
29 |
39 |
|
[GOL]E:2004 |
5 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
11892 |
78.9 |
0.2 |
0.616 |
1 |
0 |
0 |
0.018 |
30 |
40 |
|
F |
11 |
4 |
10736 |
◊ |
H |
-x+3/2,y-1/2,-z+1 |
3_646 |
6 |
1 |
13508 |
73.2 |
0.2 |
0.708 |
2 |
2 |
0 |
0.000 |
31 |
41 |
|
[GOL]F:2002 |
6 |
1 |
220 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
10 |
3 |
5541 |
71.6 |
-0.3 |
0.609 |
0 |
0 |
0 |
0.008 |
32 |
42 |
|
[GOL]F:2002 |
5 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
10736 |
61.2 |
-0.4 |
0.485 |
1 |
0 |
0 |
0.065 |
33 |
43 |
|
H |
7 |
2 |
13508 |
◊ |
E |
-x+3/2,y-1/2,-z+2 |
3_647 |
7 |
2 |
11892 |
60.3 |
1.0 |
0.826 |
1 |
2 |
0 |
0.000 |
34 |
44 |
|
[GOL]F:2002 |
4 |
1 |
220 |
f |
F |
-x+1,-y+1,z |
2_665 |
8 |
3 |
10736 |
57.6 |
-0.6 |
0.482 |
1 |
0 |
0 |
0.083 |
35 |
45 |
|
[GOL]A:2003 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
5341 |
56.2 |
-0.1 |
0.588 |
1 |
0 |
0 |
0.011 |
36 |
46 |
|
[GOL]A:2003 |
5 |
1 |
221 |
f |
E |
-x+1,-y+1,z |
2_665 |
10 |
2 |
11892 |
56.0 |
-0.7 |
0.450 |
0 |
0 |
0 |
0.059 |
37 |
47 |
|
[GOL]A:2003 |
4 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
11892 |
50.2 |
-0.3 |
0.456 |
1 |
0 |
0 |
0.058 |
38 |
48 |
|
H |
8 |
2 |
13508 |
◊ |
G |
-x+2,-y+1,z |
2_765 |
6 |
3 |
13330 |
49.0 |
-0.8 |
0.439 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
E |
3 |
1 |
11892 |
x |
E |
x,y-1,z |
1_545 |
4 |
1 |
11892 |
38.0 |
-0.7 |
0.345 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[GOL]E:2004 |
3 |
1 |
222 |
◊ |
[GOL]A:2003 |
x,y,z |
1_555 |
5 |
1 |
221 |
36.5 |
-0.2 |
0.473 |
1 |
0 |
0 |
0.054 |
41 |
51 |
|
[GOL]E:2004 |
2 |
1 |
222 |
◊ |
E |
-x+1,-y+1,z |
2_665 |
3 |
1 |
11892 |
36.0 |
0.2 |
0.699 |
1 |
0 |
0 |
0.021 |
42 |
52 |
|
D |
2 |
1 |
5388 |
◊ |
E |
-x+3/2,y-1/2,-z+2 |
3_647 |
2 |
1 |
11892 |
25.8 |
0.4 |
0.793 |
0 |
1 |
0 |
0.000 |
43 |
53 |
|
F |
4 |
2 |
10736 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
5541 |
22.6 |
-0.6 |
0.422 |
0 |
0 |
0 |
0.000 |
44 |
54 |
|
[GOL]F:2005 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
5541 |
20.5 |
0.5 |
0.711 |
0 |
0 |
0 |
0.000 |
45 |
55 |
|
E |
1 |
1 |
11892 |
x |
E |
-x+3/2,y-1/2,-z+2 |
3_647 |
4 |
1 |
11892 |
11.5 |
-0.3 |
0.379 |
0 |
0 |
0 |
0.000 |
46 |
56 |
|
[GOL]E:2001 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5341 |
10.3 |
0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
E |
2 |
1 |
11892 |
◊ |
H |
x-1/2,-y+3/2,-z+2 |
4_467 |
2 |
1 |
13508 |
9.8 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
48 |
58 |
|
E |
1 |
1 |
11892 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
1 |
1 |
5341 |
5.8 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
49 |
59 |
|
[GOL]E:2004 |
2 |
1 |
222 |
f |
[GOL]E:2001 |
x,y,z |
1_555 |
1 |
1 |
219 |
3.4 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
50 |
60 |
|
[GOL]E:2004 |
1 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5341 |
3.4 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
A |
1 |
1 |
5341 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
1 |
1 |
5341 |
1.2 |
0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
62 |
|
B |
1 |
1 |
5541 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
1 |
1 |
5541 |
0.3 |
0.0 |
0.747 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
|