## |
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 |
95 |
23 |
5732 |
◊ |
C |
x,y,z |
1_555 |
94 |
23 |
5829 |
770.3 |
-11.6 |
0.331 |
6 |
0 |
0 |
1.000 |
2 |
|
H |
91 |
21 |
5703 |
◊ |
G |
x,y,z |
1_555 |
92 |
22 |
5811 |
760.8 |
-12.0 |
0.320 |
5 |
1 |
0 |
1.000 |
3 |
|
B |
93 |
22 |
5780 |
◊ |
A |
x,y,z |
1_555 |
93 |
22 |
5737 |
752.2 |
-11.3 |
0.334 |
4 |
1 |
0 |
1.000 |
4 |
|
F |
100 |
22 |
5747 |
◊ |
E |
x,y,z |
1_555 |
94 |
21 |
5667 |
750.8 |
-12.1 |
0.365 |
5 |
0 |
0 |
1.000 |
Average: |
758.5 |
-11.8 |
0.337 |
5 |
1 |
0 |
1.000 |
2 |
5 |
|
G |
74 |
22 |
5811 |
◊ |
F |
x,y,z |
1_555 |
78 |
22 |
5747 |
735.0 |
-8.7 |
0.453 |
3 |
0 |
0 |
0.251 |
6 |
|
C |
74 |
23 |
5829 |
◊ |
B |
x,y,z |
1_555 |
72 |
21 |
5780 |
711.5 |
-8.5 |
0.425 |
2 |
0 |
0 |
0.251 |
Average: |
723.2 |
-8.6 |
0.439 |
3 |
0 |
0 |
0.251 |
3 |
7 |
|
H |
43 |
15 |
5703 |
◊ |
D |
x,y,z |
1_555 |
46 |
15 |
5732 |
421.0 |
-6.1 |
0.344 |
0 |
0 |
0 |
0.014 |
8 |
|
E |
40 |
15 |
5667 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
5737 |
405.9 |
-6.6 |
0.279 |
0 |
0 |
0 |
0.014 |
Average: |
413.4 |
-6.3 |
0.312 |
0 |
0 |
0 |
0.014 |
4 |
9 |
|
H |
35 |
15 |
5703 |
◊ |
E |
x,y,z |
1_555 |
40 |
16 |
5667 |
339.9 |
-3.0 |
0.613 |
2 |
0 |
0 |
0.097 |
10 |
|
D |
35 |
16 |
5732 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
5737 |
338.1 |
-2.7 |
0.595 |
1 |
0 |
0 |
0.097 |
Average: |
339.0 |
-2.9 |
0.604 |
2 |
0 |
0 |
0.097 |
5 |
11 |
|
A |
30 |
11 |
5737 |
◊ |
D |
-y,x,z-1/4 |
3_554 |
31 |
11 |
5732 |
310.2 |
4.7 |
0.989 |
5 |
4 |
0 |
0.000 |
6 |
12 |
|
F |
34 |
13 |
5747 |
◊ |
C |
x-1,y,z |
1_455 |
35 |
11 |
5829 |
300.2 |
-3.0 |
0.572 |
4 |
0 |
0 |
0.000 |
13 |
|
G |
34 |
13 |
5811 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
12 |
5780 |
286.2 |
-2.5 |
0.606 |
2 |
0 |
0 |
0.000 |
Average: |
293.2 |
-2.7 |
0.589 |
3 |
0 |
0 |
0.000 |
7 |
14 |
|
[1OM]G:201 |
23 |
1 |
602 |
◊ |
G |
x,y,z |
1_555 |
38 |
12 |
5811 |
246.8 |
2.0 |
0.374 |
0 |
0 |
0 |
0.000 |
15 |
|
[1OM]E:201 |
25 |
1 |
596 |
◊ |
F |
x,y,z |
1_555 |
36 |
12 |
5747 |
241.1 |
2.0 |
0.362 |
0 |
0 |
0 |
0.000 |
16 |
|
[1OM]D:201 |
25 |
1 |
595 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
5829 |
238.5 |
1.0 |
0.290 |
0 |
0 |
0 |
0.000 |
17 |
|
[1OM]A:201 |
24 |
1 |
599 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
5737 |
238.4 |
2.1 |
0.362 |
0 |
0 |
0 |
0.000 |
Average: |
241.2 |
1.8 |
0.347 |
0 |
0 |
0 |
0.000 |
8 |
18 |
|
[1OM]G:201 |
23 |
1 |
602 |
f |
H |
x,y,z |
1_555 |
35 |
11 |
5703 |
243.6 |
2.0 |
0.359 |
0 |
0 |
0 |
0.000 |
19 |
|
[1OM]E:201 |
24 |
1 |
596 |
f |
E |
x,y,z |
1_555 |
38 |
11 |
5667 |
243.2 |
1.8 |
0.368 |
0 |
0 |
0 |
0.000 |
20 |
|
[1OM]D:201 |
25 |
1 |
595 |
f |
D |
x,y,z |
1_555 |
36 |
11 |
5732 |
239.6 |
3.7 |
0.469 |
0 |
0 |
0 |
0.000 |
21 |
|
[1OM]A:201 |
23 |
1 |
599 |
f |
B |
x,y,z |
1_555 |
37 |
11 |
5780 |
233.4 |
1.4 |
0.338 |
0 |
0 |
0 |
0.000 |
Average: |
240.0 |
2.2 |
0.383 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
[MAN]E:204 |
11 |
1 |
288 |
cf |
E |
x,y,z |
1_555 |
25 |
11 |
5667 |
173.5 |
4.0 |
0.561 |
2 |
0 |
0 |
0.000 |
23 |
|
[MAN]D:203 |
10 |
1 |
289 |
cf |
D |
x,y,z |
1_555 |
23 |
10 |
5732 |
163.4 |
3.8 |
0.542 |
3 |
0 |
0 |
0.000 |
Average: |
168.5 |
3.9 |
0.551 |
3 |
0 |
0 |
0.000 |
10 |
24 |
|
[MAN]H:203 |
11 |
1 |
293 |
cf |
H |
x,y,z |
1_555 |
19 |
9 |
5703 |
159.1 |
3.9 |
0.537 |
1 |
0 |
0 |
0.000 |
11 |
25 |
|
D |
18 |
6 |
5732 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
5780 |
147.1 |
-0.9 |
0.563 |
3 |
0 |
0 |
0.117 |
26 |
|
C |
17 |
5 |
5829 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
5737 |
147.1 |
-1.1 |
0.586 |
3 |
0 |
0 |
0.117 |
27 |
|
H |
17 |
6 |
5703 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
5747 |
140.1 |
-1.1 |
0.602 |
3 |
0 |
0 |
0.117 |
28 |
|
G |
14 |
5 |
5811 |
◊ |
E |
x,y,z |
1_555 |
18 |
6 |
5667 |
138.1 |
-0.9 |
0.615 |
3 |
0 |
0 |
0.117 |
Average: |
143.1 |
-1.0 |
0.592 |
3 |
0 |
0 |
0.117 |
12 |
29 |
|
[GOL]B:204 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
5737 |
115.3 |
-1.3 |
0.499 |
0 |
0 |
0 |
0.100 |
13 |
30 |
|
[GOL]H:201 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
22 |
5 |
5703 |
114.4 |
-1.2 |
0.514 |
1 |
0 |
0 |
0.160 |
14 |
31 |
|
[GOL]D:202 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
21 |
5 |
5732 |
111.0 |
-0.9 |
0.542 |
1 |
0 |
0 |
0.139 |
15 |
32 |
|
[GOL]E:203 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
21 |
5 |
5667 |
107.6 |
-1.1 |
0.557 |
1 |
0 |
0 |
0.146 |
16 |
33 |
|
[GOL]B:203 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
24 |
6 |
5829 |
105.8 |
-1.3 |
0.506 |
1 |
0 |
0 |
0.173 |
17 |
34 |
|
B |
8 |
3 |
5780 |
◊ |
D |
-y,x,z-1/4 |
3_554 |
14 |
6 |
5732 |
103.2 |
-0.7 |
0.524 |
1 |
0 |
0 |
0.000 |
35 |
|
A |
14 |
6 |
5737 |
◊ |
C |
-y,x,z-1/4 |
3_554 |
8 |
3 |
5829 |
103.2 |
-0.8 |
0.510 |
1 |
0 |
0 |
0.000 |
Average: |
103.2 |
-0.7 |
0.517 |
1 |
0 |
0 |
0.000 |
18 |
36 |
|
[GOL]B:202 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
5780 |
90.4 |
-1.2 |
0.466 |
0 |
0 |
0 |
0.029 |
19 |
37 |
|
[GOL]B:201 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
5780 |
86.8 |
1.6 |
0.849 |
4 |
0 |
0 |
0.031 |
38 |
|
[GOL]C:201 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
5829 |
82.1 |
0.6 |
0.707 |
2 |
0 |
0 |
0.031 |
Average: |
84.5 |
1.1 |
0.778 |
3 |
0 |
0 |
0.031 |
20 |
39 |
|
[GOL]G:202 |
5 |
1 |
214 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
5811 |
79.2 |
0.4 |
0.709 |
4 |
0 |
0 |
0.135 |
21 |
40 |
|
[GOL]H:202 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
5703 |
78.6 |
0.4 |
0.705 |
2 |
0 |
0 |
0.050 |
22 |
41 |
|
[GOL]F:201 |
5 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
5747 |
77.8 |
-0.3 |
0.589 |
2 |
0 |
0 |
0.108 |
23 |
42 |
|
[GOL]E:202 |
5 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
5667 |
77.6 |
0.6 |
0.719 |
3 |
0 |
0 |
0.070 |
24 |
43 |
|
[GOL]B:203 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5780 |
52.3 |
-0.2 |
0.583 |
1 |
0 |
0 |
0.015 |
25 |
44 |
|
C |
10 |
3 |
5829 |
◊ |
D |
-y,x,z-1/4 |
3_554 |
7 |
3 |
5732 |
50.2 |
-0.3 |
0.653 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
5 |
2 |
5737 |
◊ |
B |
-y,x,z-1/4 |
3_554 |
8 |
3 |
5780 |
47.1 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
48.6 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[GOL]B:202 |
2 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5829 |
28.3 |
-0.5 |
0.527 |
0 |
0 |
0 |
0.013 |
27 |
47 |
|
[GOL]B:202 |
2 |
1 |
216 |
f |
[1OM]A:201 |
x,y,z |
1_555 |
3 |
1 |
599 |
25.6 |
0.6 |
0.521 |
1 |
0 |
0 |
0.000 |
28 |
48 |
|
[GOL]B:204 |
3 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5780 |
24.1 |
0.4 |
0.663 |
1 |
0 |
0 |
0.001 |
29 |
49 |
|
[GOL]H:201 |
2 |
1 |
219 |
◊ |
[GOL]E:203 |
x,y,z |
1_555 |
3 |
1 |
217 |
24.0 |
0.4 |
0.661 |
1 |
0 |
0 |
0.000 |
30 |
50 |
|
[GOL]D:202 |
3 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5829 |
21.1 |
0.3 |
0.682 |
1 |
0 |
0 |
0.010 |
31 |
51 |
|
[GOL]H:201 |
3 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
5811 |
21.0 |
0.2 |
0.679 |
1 |
0 |
0 |
0.022 |
32 |
52 |
|
[GOL]D:202 |
2 |
1 |
219 |
f |
[1OM]D:201 |
x,y,z |
1_555 |
3 |
1 |
595 |
19.8 |
0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
[GOL]D:202 |
2 |
1 |
219 |
◊ |
[GOL]B:204 |
x,y,z |
1_555 |
3 |
1 |
219 |
19.3 |
0.3 |
0.612 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
[GOL]E:203 |
3 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5747 |
17.5 |
0.4 |
0.823 |
1 |
0 |
0 |
0.006 |
35 |
55 |
|
[GOL]B:204 |
2 |
1 |
219 |
◊ |
[1OM]A:201 |
x,y,z |
1_555 |
3 |
1 |
599 |
16.6 |
0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
36 |
56 |
|
[GOL]E:203 |
2 |
1 |
217 |
f |
[1OM]E:201 |
x,y,z |
1_555 |
3 |
1 |
596 |
16.6 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
37 |
57 |
|
[GOL]B:202 |
3 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5737 |
16.2 |
-0.0 |
0.636 |
0 |
0 |
0 |
0.001 |
38 |
58 |
|
[GOL]B:203 |
1 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5732 |
13.2 |
0.3 |
0.652 |
0 |
0 |
0 |
0.000 |
39 |
59 |
|
[GOL]B:203 |
2 |
1 |
220 |
◊ |
[GOL]B:202 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.0 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
40 |
60 |
|
[GOL]H:201 |
3 |
1 |
219 |
f |
[1OM]G:201 |
x,y,z |
1_555 |
3 |
1 |
602 |
11.1 |
0.4 |
0.447 |
0 |
0 |
0 |
0.000 |
41 |
61 |
|
[GOL]E:203 |
2 |
1 |
217 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
5703 |
9.7 |
-0.2 |
0.484 |
0 |
0 |
0 |
0.006 |
42 |
62 |
|
F |
3 |
3 |
5747 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
5780 |
9.0 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
43 |
63 |
|
[GOL]B:204 |
1 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5732 |
9.0 |
-0.0 |
0.459 |
0 |
0 |
0 |
0.000 |
44 |
64 |
|
[GOL]D:202 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5737 |
5.7 |
-0.2 |
0.495 |
0 |
0 |
0 |
0.005 |
45 |
65 |
|
[GOL]B:203 |
2 |
1 |
220 |
◊ |
[1OM]D:201 |
x,y,z |
1_555 |
1 |
1 |
595 |
5.1 |
0.2 |
0.580 |
0 |
0 |
0 |
0.000 |
46 |
66 |
|
[GOL]H:201 |
2 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
5667 |
3.6 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
47 |
67 |
|
B |
1 |
1 |
5780 |
◊ |
C |
-y,x,z-1/4 |
3_554 |
1 |
1 |
5829 |
1.0 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
|