## |
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 |
|
C |
75 |
20 |
8801 |
◊ |
B |
x,y,z |
1_555 |
81 |
20 |
8774 |
726.2 |
-7.3 |
0.404 |
2 |
1 |
0 |
0.000 |
2 |
|
D |
74 |
19 |
8743 |
◊ |
A |
x,y,z |
1_555 |
80 |
20 |
8810 |
700.8 |
-8.9 |
0.276 |
2 |
1 |
0 |
0.000 |
Average: |
713.5 |
-8.1 |
0.340 |
2 |
1 |
0 |
0.000 |
2 |
3 |
|
B |
53 |
15 |
8774 |
x |
A |
x,y,z |
1_555 |
52 |
12 |
8810 |
500.8 |
-3.3 |
0.558 |
8 |
1 |
0 |
0.000 |
4 |
|
D |
54 |
15 |
8743 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
51 |
12 |
8743 |
499.3 |
-3.2 |
0.561 |
4 |
1 |
0 |
0.000 |
5 |
|
B |
50 |
12 |
8774 |
x |
A |
x,y-1,z |
1_545 |
58 |
16 |
8810 |
494.7 |
-2.3 |
0.663 |
3 |
1 |
0 |
0.000 |
6 |
|
C |
57 |
17 |
8801 |
x |
C |
-x-1/2,y-1/2,-z |
4_445 |
54 |
12 |
8801 |
482.0 |
-2.7 |
0.605 |
4 |
1 |
0 |
0.000 |
Average: |
494.2 |
-2.9 |
0.597 |
5 |
1 |
0 |
0.000 |
3 |
7 |
|
[16A]B:301 |
19 |
1 |
617 |
f |
B |
x,y,z |
1_555 |
65 |
20 |
8774 |
385.5 |
0.7 |
0.215 |
0 |
0 |
0 |
0.000 |
8 |
|
[16A]A:301 |
19 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
62 |
20 |
8810 |
380.8 |
0.5 |
0.201 |
0 |
0 |
0 |
0.000 |
9 |
|
[16A]C:301 |
19 |
1 |
619 |
f |
C |
x,y,z |
1_555 |
62 |
19 |
8801 |
375.3 |
0.7 |
0.227 |
0 |
0 |
0 |
0.000 |
10 |
|
[16A]D:301 |
19 |
1 |
623 |
f |
D |
x,y,z |
1_555 |
65 |
20 |
8743 |
374.9 |
0.6 |
0.220 |
0 |
0 |
0 |
0.000 |
Average: |
379.1 |
0.6 |
0.216 |
0 |
0 |
0 |
0.000 |
4 |
11 |
|
C |
40 |
13 |
8801 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
42 |
10 |
8743 |
383.5 |
-5.8 |
0.287 |
0 |
1 |
0 |
0.000 |
5 |
12 |
|
[16A]B:302 |
17 |
1 |
611 |
f |
B |
x,y,z |
1_555 |
36 |
11 |
8774 |
250.2 |
-2.2 |
0.074 |
0 |
0 |
0 |
0.153 |
13 |
|
[16A]D:302 |
16 |
1 |
614 |
f |
D |
x,y,z |
1_555 |
34 |
11 |
8743 |
248.4 |
-2.3 |
0.075 |
0 |
0 |
0 |
0.153 |
Average: |
249.3 |
-2.2 |
0.075 |
0 |
0 |
0 |
0.153 |
6 |
14 |
|
[16A]C:302 |
16 |
1 |
605 |
f |
C |
x,y,z |
1_555 |
35 |
11 |
8801 |
230.4 |
-1.4 |
0.100 |
0 |
0 |
0 |
0.034 |
7 |
15 |
|
[16A]A:302 |
17 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
36 |
11 |
8810 |
225.2 |
-1.6 |
0.097 |
0 |
0 |
0 |
0.000 |
8 |
16 |
|
[16A]B:302 |
11 |
1 |
611 |
◊ |
C |
x,y,z |
1_555 |
31 |
11 |
8801 |
187.1 |
5.4 |
0.479 |
0 |
0 |
0 |
0.000 |
17 |
|
[16A]D:302 |
11 |
1 |
614 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
8810 |
186.5 |
5.4 |
0.456 |
0 |
0 |
0 |
0.000 |
18 |
|
[16A]C:302 |
11 |
1 |
605 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
8774 |
168.7 |
4.0 |
0.454 |
0 |
0 |
0 |
0.000 |
Average: |
180.8 |
4.9 |
0.463 |
0 |
0 |
0 |
0.000 |
9 |
19 |
|
[16A]A:302 |
10 |
1 |
620 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
8743 |
174.9 |
4.3 |
0.480 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
[GOL]D:303 |
6 |
1 |
224 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
8743 |
135.9 |
0.4 |
0.694 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
[GOL]D:305 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
8743 |
133.1 |
-0.9 |
0.560 |
0 |
0 |
0 |
0.038 |
12 |
22 |
|
[GOL]B:303 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
8774 |
131.7 |
-1.2 |
0.559 |
1 |
0 |
0 |
0.114 |
13 |
23 |
|
[GOL]C:305 |
6 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
28 |
9 |
8801 |
128.3 |
-0.8 |
0.609 |
1 |
0 |
0 |
0.031 |
14 |
24 |
|
[GOL]A:305 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
8810 |
125.0 |
-1.1 |
0.579 |
1 |
0 |
0 |
0.000 |
15 |
25 |
|
[EDO]B:305 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
8774 |
113.6 |
3.3 |
0.500 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[GOL]D:304 |
6 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
28 |
8 |
8743 |
113.1 |
-0.9 |
0.514 |
0 |
0 |
0 |
0.038 |
17 |
27 |
|
[16A]C:303 |
11 |
1 |
426 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
8801 |
106.7 |
1.9 |
0.108 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[16A]A:303 |
9 |
1 |
393 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
8810 |
106.4 |
1.8 |
0.094 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[16A]C:302 |
14 |
1 |
605 |
◊ |
[16A]B:302 |
x,y,z |
1_555 |
14 |
1 |
611 |
104.5 |
3.6 |
0.102 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[16A]D:302 |
15 |
1 |
614 |
◊ |
[16A]A:302 |
x,y,z |
1_555 |
14 |
1 |
620 |
103.5 |
3.5 |
0.104 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[GOL]A:304 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
8810 |
101.2 |
0.5 |
0.653 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[GOL]C:304 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
8801 |
98.4 |
0.6 |
0.696 |
1 |
0 |
0 |
0.000 |
23 |
33 |
|
[EDO]B:306 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8774 |
94.8 |
1.8 |
0.243 |
1 |
0 |
0 |
0.000 |
24 |
34 |
|
[EDO]A:307 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
8810 |
90.6 |
2.0 |
0.256 |
1 |
0 |
0 |
0.000 |
25 |
35 |
|
[16A]A:303 |
8 |
1 |
393 |
f |
[16A]A:302 |
x,y,z |
1_555 |
10 |
1 |
620 |
89.5 |
2.1 |
0.031 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[16A]A:301 |
8 |
1 |
620 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8774 |
87.0 |
2.9 |
0.516 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
8 |
3 |
8801 |
◊ |
[16A]C:301 |
-x-1/2,y-1/2,-z |
4_445 |
8 |
1 |
619 |
84.1 |
3.0 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
85.5 |
3.0 |
0.529 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[16A]A:303 |
8 |
1 |
393 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
8743 |
86.6 |
2.7 |
0.150 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8774 |
84.3 |
2.7 |
0.314 |
1 |
0 |
0 |
0.000 |
29 |
40 |
|
[GOL]C:306 |
6 |
1 |
212 |
cf |
C |
x,y,z |
1_555 |
15 |
7 |
8801 |
84.0 |
-1.6 |
0.354 |
0 |
0 |
0 |
0.038 |
30 |
41 |
|
D |
8 |
3 |
8743 |
◊ |
[16A]D:301 |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
1 |
623 |
82.8 |
2.7 |
0.555 |
0 |
0 |
0 |
0.000 |
42 |
|
[16A]B:301 |
6 |
1 |
617 |
◊ |
A |
x,y-1,z |
1_545 |
8 |
3 |
8810 |
82.6 |
2.7 |
0.575 |
0 |
0 |
0 |
0.000 |
Average: |
82.7 |
2.7 |
0.565 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[EDO]D:306 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
8743 |
77.1 |
1.3 |
0.744 |
1 |
0 |
0 |
0.000 |
32 |
44 |
|
[16A]C:303 |
6 |
1 |
426 |
f |
[16A]C:302 |
x,y,z |
1_555 |
10 |
1 |
605 |
75.0 |
2.9 |
0.109 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[16A]C:303 |
7 |
1 |
426 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
8774 |
68.5 |
2.3 |
0.266 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
B |
9 |
5 |
8774 |
f |
[CL]A:306 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
61.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.500 |
35 |
47 |
|
[CL]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8801 |
57.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.191 |
36 |
48 |
|
C |
7 |
3 |
8801 |
◊ |
[GOL]C:306 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
212 |
44.2 |
0.2 |
0.674 |
2 |
0 |
0 |
0.000 |
37 |
49 |
|
[GOL]D:304 |
5 |
1 |
215 |
f |
[16A]D:301 |
x,y,z |
1_555 |
3 |
1 |
623 |
41.1 |
0.3 |
0.410 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[GOL]C:306 |
4 |
1 |
212 |
f |
[16A]C:301 |
x,y,z |
1_555 |
8 |
1 |
619 |
40.8 |
1.1 |
0.325 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[GOL]B:303 |
4 |
1 |
219 |
f |
[16A]B:301 |
x,y,z |
1_555 |
6 |
1 |
617 |
36.6 |
1.1 |
0.386 |
0 |
0 |
0 |
0.000 |
40 |
52 |
|
[EDO]D:306 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
8810 |
35.0 |
0.7 |
0.664 |
0 |
0 |
0 |
0.000 |
41 |
53 |
|
[GOL]D:305 |
3 |
1 |
218 |
f |
[16A]D:301 |
x,y,z |
1_555 |
7 |
1 |
623 |
33.4 |
0.8 |
0.299 |
0 |
0 |
0 |
0.000 |
42 |
54 |
|
[GOL]A:305 |
4 |
1 |
216 |
f |
[16A]A:301 |
x,y,z |
1_555 |
4 |
1 |
620 |
31.3 |
1.2 |
0.481 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
[GOL]C:305 |
3 |
1 |
211 |
f |
[16A]C:301 |
x,y,z |
1_555 |
5 |
1 |
619 |
30.4 |
1.2 |
0.464 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[CL]A:306 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8810 |
29.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[GOL]D:304 |
3 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8810 |
29.8 |
-0.5 |
0.244 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
D |
1 |
1 |
8743 |
◊ |
[GOL]D:305 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
218 |
24.5 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
47 |
59 |
|
[CL]C:307 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8774 |
23.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
[GOL]B:303 |
2 |
1 |
219 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
8810 |
21.3 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
C |
1 |
1 |
8801 |
◊ |
[GOL]C:305 |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
211 |
16.6 |
0.3 |
0.776 |
0 |
0 |
0 |
0.000 |
50 |
62 |
|
D |
2 |
1 |
8743 |
◊ |
[GOL]D:304 |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
215 |
13.5 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
B |
2 |
1 |
8774 |
f |
[EDO]A:307 |
x,y-1,z |
1_545 |
2 |
1 |
185 |
12.8 |
0.3 |
0.625 |
0 |
0 |
0 |
0.000 |
52 |
64 |
|
[GOL]A:305 |
2 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8774 |
12.1 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
53 |
65 |
|
[EDO]B:304 |
2 |
1 |
185 |
f |
[EDO]A:307 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
8.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
66 |
|
[GOL]C:305 |
1 |
1 |
211 |
f |
[GOL]C:304 |
x,y,z |
1_555 |
1 |
1 |
215 |
1.2 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|