## |
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 |
|
B |
178 |
43 |
6515 |
◊ |
A |
x,y,z |
1_555 |
177 |
43 |
6602 |
1701.5 |
-22.6 |
0.299 |
30 |
8 |
0 |
1.000 |
2 |
|
D |
172 |
41 |
6355 |
◊ |
C |
x,y,z |
1_555 |
173 |
41 |
6468 |
1670.7 |
-21.9 |
0.398 |
35 |
8 |
0 |
1.000 |
Average: |
1686.1 |
-22.3 |
0.349 |
33 |
8 |
0 |
1.000 |
2 |
3 |
|
E |
59 |
10 |
1489 |
◊ |
A |
x,y,z |
1_555 |
61 |
20 |
6602 |
541.1 |
-2.0 |
0.651 |
11 |
3 |
0 |
0.017 |
3 |
4 |
|
F |
58 |
10 |
1378 |
◊ |
D |
x,y,z |
1_555 |
60 |
22 |
6355 |
532.4 |
-2.9 |
0.813 |
11 |
2 |
0 |
0.135 |
4 |
5 |
|
E |
54 |
9 |
1489 |
◊ |
B |
x,y,z |
1_555 |
49 |
16 |
6515 |
446.9 |
-3.0 |
0.562 |
5 |
1 |
0 |
0.013 |
5 |
6 |
|
F |
51 |
9 |
1378 |
◊ |
C |
x,y,z |
1_555 |
52 |
17 |
6468 |
421.3 |
-3.7 |
0.664 |
5 |
0 |
0 |
0.098 |
6 |
7 |
|
A |
44 |
12 |
6602 |
◊ |
B |
x-1,y,z |
1_455 |
42 |
11 |
6515 |
390.7 |
-4.7 |
0.449 |
0 |
0 |
0 |
0.000 |
8 |
|
C |
43 |
12 |
6468 |
◊ |
D |
x-1,y,z |
1_455 |
45 |
14 |
6355 |
388.0 |
-5.2 |
0.480 |
1 |
0 |
0 |
0.000 |
Average: |
389.4 |
-5.0 |
0.465 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
31 |
9 |
6602 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
33 |
8 |
6515 |
269.1 |
-4.5 |
0.407 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
27 |
8 |
6468 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
6602 |
262.2 |
-2.7 |
0.517 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
28 |
7 |
6468 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
26 |
8 |
6355 |
253.8 |
-4.8 |
0.324 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
16 |
5 |
6515 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
28 |
10 |
6602 |
217.4 |
-1.9 |
0.542 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
A |
23 |
7 |
6602 |
◊ |
D |
x-1,y,z-1 |
1_454 |
26 |
6 |
6355 |
179.2 |
-3.2 |
0.486 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
D |
19 |
5 |
6355 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
18 |
4 |
6468 |
156.9 |
-2.8 |
0.425 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
B |
14 |
5 |
6515 |
◊ |
D |
x,y,z-1 |
1_554 |
13 |
4 |
6355 |
143.6 |
-3.2 |
0.208 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
16 |
3 |
6602 |
◊ |
C |
x,y,z-1 |
1_554 |
12 |
4 |
6468 |
124.1 |
-2.5 |
0.340 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[GOL]A:101 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
6602 |
119.9 |
0.3 |
0.699 |
5 |
0 |
0 |
0.265 |
16 |
18 |
|
D |
15 |
3 |
6355 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
6515 |
111.9 |
-2.2 |
0.448 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:107 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
6602 |
102.4 |
2.9 |
0.514 |
4 |
0 |
0 |
0.000 |
18 |
20 |
|
[GOL]A:102 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
6602 |
98.1 |
0.0 |
0.671 |
1 |
0 |
0 |
0.057 |
19 |
21 |
|
[EDO]C:103 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
6468 |
97.9 |
2.8 |
0.503 |
4 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]D:105 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
6355 |
94.9 |
2.2 |
0.501 |
2 |
0 |
0 |
0.000 |
21 |
23 |
|
A |
12 |
3 |
6602 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
14 |
5 |
6468 |
91.8 |
-0.4 |
0.667 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]C:104 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
6468 |
91.5 |
3.1 |
0.330 |
4 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]A:105 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
6515 |
88.8 |
2.8 |
0.319 |
2 |
0 |
0 |
0.000 |
24 |
26 |
|
[GOL]D:102 |
6 |
1 |
223 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
6355 |
87.2 |
-0.3 |
0.557 |
2 |
0 |
0 |
0.026 |
25 |
27 |
|
[EDO]D:103 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
6355 |
86.1 |
2.2 |
0.309 |
3 |
0 |
0 |
0.000 |
26 |
28 |
|
[EDO]D:106 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
6355 |
83.8 |
2.1 |
0.300 |
2 |
0 |
0 |
0.000 |
27 |
29 |
|
[GOL]D:101 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
6355 |
82.5 |
-0.4 |
0.631 |
1 |
0 |
0 |
0.132 |
28 |
30 |
|
A |
13 |
5 |
6602 |
◊ |
[EDO]B:101 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
82.4 |
2.2 |
0.321 |
3 |
0 |
0 |
0.000 |
29 |
31 |
|
A |
10 |
3 |
6602 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
6355 |
80.8 |
-1.9 |
0.361 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[ACT]C:101 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
6468 |
79.6 |
-0.2 |
0.722 |
1 |
0 |
0 |
0.014 |
31 |
33 |
|
[GOL]E:101 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
6515 |
79.4 |
-1.0 |
0.465 |
1 |
0 |
0 |
0.128 |
32 |
34 |
|
[EDO]C:102 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
6 |
6468 |
78.5 |
2.7 |
0.627 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[GOL]A:104 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6602 |
74.9 |
-0.3 |
0.610 |
1 |
0 |
0 |
0.100 |
34 |
36 |
|
D |
5 |
1 |
6355 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
6602 |
72.2 |
-1.7 |
0.246 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]B:102 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
6602 |
71.8 |
2.5 |
0.316 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
A |
10 |
4 |
6602 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
6 |
2 |
6355 |
71.7 |
0.8 |
0.853 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]A:103 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
6515 |
71.3 |
2.7 |
0.322 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[PO4]D:107 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
6468 |
67.9 |
-3.9 |
0.762 |
1 |
0 |
0 |
0.092 |
39 |
41 |
|
A |
9 |
4 |
6602 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
7 |
4 |
6602 |
65.0 |
-0.5 |
0.588 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[EDO]A:103 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6602 |
61.4 |
1.9 |
0.293 |
1 |
0 |
0 |
0.000 |
41 |
43 |
|
[EDO]B:102 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
6515 |
54.7 |
1.4 |
0.800 |
1 |
0 |
0 |
0.000 |
42 |
44 |
|
[ACT]C:101 |
4 |
1 |
181 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
6355 |
51.6 |
-0.7 |
0.596 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]C:102 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
1378 |
50.4 |
1.3 |
0.876 |
2 |
0 |
0 |
0.000 |
44 |
46 |
|
E |
4 |
1 |
1489 |
◊ |
C |
x,y,z |
1_555 |
6 |
5 |
6468 |
50.2 |
-0.3 |
0.514 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[GOL]A:101 |
5 |
1 |
219 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
4 |
6515 |
50.2 |
-0.6 |
0.549 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[GOL]D:102 |
4 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6468 |
49.2 |
0.2 |
0.693 |
2 |
0 |
0 |
0.014 |
47 |
49 |
|
[EDO]A:105 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
6602 |
48.6 |
1.1 |
0.691 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
B |
11 |
2 |
6515 |
◊ |
[EDO]A:106 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
185 |
48.3 |
0.9 |
0.708 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[GOL]E:101 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
1489 |
47.9 |
0.9 |
0.612 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[EDO]B:101 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6515 |
47.1 |
0.8 |
0.735 |
1 |
0 |
0 |
0.000 |
51 |
53 |
|
B |
5 |
1 |
6515 |
◊ |
F |
x,y,z-1 |
1_554 |
6 |
3 |
1378 |
45.8 |
0.4 |
0.779 |
1 |
0 |
0 |
0.000 |
52 |
54 |
|
[EDO]A:106 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6602 |
44.2 |
0.9 |
0.739 |
1 |
0 |
0 |
0.000 |
53 |
55 |
|
[PO4]D:107 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1378 |
42.2 |
-1.0 |
0.963 |
2 |
0 |
0 |
0.032 |
54 |
56 |
|
B |
7 |
1 |
6515 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
6 |
2 |
1489 |
38.9 |
-1.2 |
0.352 |
0 |
0 |
0 |
0.000 |
55 |
57 |
|
[GOL]A:104 |
3 |
1 |
217 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
6515 |
38.8 |
0.9 |
0.826 |
1 |
0 |
0 |
0.000 |
56 |
58 |
|
[GOL]D:102 |
4 |
1 |
223 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1378 |
38.0 |
1.3 |
0.791 |
2 |
0 |
0 |
0.000 |
57 |
59 |
|
[GOL]E:101 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6602 |
37.0 |
-0.1 |
0.520 |
0 |
0 |
0 |
0.003 |
58 |
60 |
|
[EDO]A:106 |
2 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
1489 |
35.8 |
0.4 |
0.613 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
C |
4 |
2 |
6468 |
◊ |
[EDO]D:106 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
35.1 |
0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
C |
3 |
1 |
6468 |
◊ |
[EDO]D:104 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
183 |
34.3 |
1.5 |
0.960 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
C |
5 |
2 |
6468 |
◊ |
[EDO]D:104 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
33.6 |
1.5 |
0.957 |
1 |
0 |
0 |
0.000 |
62 |
64 |
|
[PO4]D:107 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
6355 |
33.1 |
-1.5 |
0.940 |
1 |
0 |
0 |
0.041 |
63 |
65 |
|
[GOL]D:101 |
3 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6468 |
32.3 |
0.7 |
0.801 |
1 |
0 |
0 |
0.000 |
64 |
66 |
|
B |
3 |
1 |
6515 |
x |
B |
-x-1,y-1/2,-z |
2_445 |
3 |
2 |
6515 |
31.8 |
-1.0 |
0.242 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
F |
3 |
1 |
1378 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
6468 |
31.7 |
-0.7 |
0.464 |
0 |
0 |
0 |
0.000 |
66 |
68 |
|
C |
5 |
3 |
6468 |
x |
C |
-x-1,y-1/2,-z+1 |
2_446 |
3 |
1 |
6468 |
31.2 |
-0.8 |
0.337 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
[GOL]A:102 |
5 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1489 |
31.1 |
0.2 |
0.628 |
0 |
0 |
0 |
0.000 |
68 |
70 |
|
[GOL]A:102 |
3 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6515 |
30.3 |
0.7 |
0.808 |
1 |
0 |
0 |
0.000 |
69 |
71 |
|
B |
3 |
2 |
6515 |
x |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
6515 |
27.7 |
-0.7 |
0.367 |
0 |
0 |
0 |
0.000 |
70 |
72 |
|
A |
3 |
1 |
6602 |
◊ |
[ACT]C:101 |
x,y,z-1 |
1_554 |
3 |
1 |
181 |
26.5 |
-0.3 |
0.575 |
0 |
0 |
0 |
0.000 |
71 |
73 |
|
[PO4]D:107 |
2 |
1 |
188 |
f |
[GOL]D:102 |
x,y,z |
1_555 |
3 |
1 |
223 |
24.4 |
-1.1 |
0.766 |
1 |
0 |
0 |
0.032 |
72 |
74 |
|
C |
3 |
1 |
6468 |
f |
[EDO]C:103 |
-x-1,y-1/2,-z+1 |
2_446 |
2 |
1 |
182 |
23.9 |
0.2 |
0.577 |
0 |
0 |
0 |
0.000 |
73 |
75 |
|
C |
5 |
3 |
6468 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
6468 |
22.2 |
-0.2 |
0.622 |
0 |
0 |
0 |
0.000 |
74 |
76 |
|
A |
2 |
1 |
6602 |
f |
[EDO]D:106 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
21.3 |
-0.1 |
0.527 |
0 |
0 |
0 |
0.010 |
75 |
77 |
|
A |
2 |
1 |
6602 |
f |
[EDO]D:105 |
x-1,y,z |
1_455 |
1 |
1 |
185 |
17.6 |
-0.1 |
0.556 |
0 |
0 |
0 |
0.009 |
76 |
78 |
|
D |
2 |
1 |
6355 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
6355 |
17.1 |
-0.5 |
0.236 |
0 |
0 |
0 |
0.000 |
77 |
79 |
|
[EDO]B:102 |
2 |
1 |
185 |
◊ |
[GOL]E:101 |
x,y,z |
1_555 |
2 |
1 |
220 |
14.1 |
0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
78 |
80 |
|
[GOL]A:104 |
2 |
1 |
217 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
6515 |
13.3 |
-0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
79 |
81 |
|
[GOL]A:104 |
2 |
1 |
217 |
f |
[GOL]A:101 |
x,y,z |
1_555 |
3 |
1 |
219 |
10.5 |
-0.1 |
0.555 |
0 |
0 |
0 |
0.012 |
80 |
82 |
|
[EDO]C:102 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6355 |
9.5 |
0.5 |
0.973 |
0 |
0 |
0 |
0.000 |
81 |
83 |
|
[EDO]D:104 |
1 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
6355 |
7.8 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
82 |
84 |
|
F |
1 |
1 |
1378 |
f |
[EDO]D:103 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
182 |
6.7 |
0.3 |
0.868 |
0 |
0 |
0 |
0.000 |
83 |
85 |
|
[EDO]A:107 |
2 |
1 |
183 |
f |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
6355 |
4.4 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
84 |
86 |
|
A |
1 |
1 |
6602 |
◊ |
[EDO]D:104 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
183 |
4.0 |
0.2 |
0.864 |
0 |
0 |
0 |
0.000 |
85 |
87 |
|
[EDO]B:102 |
1 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
1489 |
2.4 |
0.1 |
0.809 |
0 |
0 |
0 |
0.000 |
86 |
88 |
|
[EDO]A:103 |
2 |
1 |
184 |
f |
[GOL]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
1.6 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
87 |
89 |
|
E |
1 |
1 |
1489 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6355 |
1.2 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
|