| ## |
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 |
|
E |
140 |
35 |
12899 |
◊ |
A |
x,y,z |
1_555 |
174 |
49 |
17949 |
1569.5 |
-17.1 |
0.167 |
19 |
8 |
0 |
0.410 |
| 2 |
2 |
|
B |
141 |
37 |
17432 |
◊ |
A |
x,y,z |
1_555 |
145 |
34 |
17949 |
1347.8 |
-12.5 |
0.159 |
14 |
9 |
0 |
0.294 |
3 |
|
D |
142 |
37 |
17165 |
◊ |
C |
x,y,z |
1_555 |
138 |
33 |
18250 |
1326.6 |
-13.8 |
0.125 |
13 |
8 |
0 |
0.294 |
| Average: |
1337.2 |
-13.1 |
0.142 |
14 |
9 |
0 |
0.294 |
| 3 |
4 |
|
F |
129 |
31 |
17502 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
135 |
35 |
17165 |
1151.3 |
-0.1 |
0.575 |
15 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
102 |
26 |
17432 |
◊ |
C |
x,y,z |
1_555 |
109 |
30 |
18250 |
911.8 |
-5.8 |
0.408 |
16 |
0 |
0 |
0.196 |
| 5 |
6 |
|
E |
74 |
16 |
12899 |
◊ |
C |
x,y,z |
1_555 |
89 |
28 |
18250 |
775.4 |
-7.8 |
0.305 |
6 |
5 |
0 |
0.126 |
| 6 |
7 |
|
F |
81 |
24 |
17502 |
◊ |
A |
x,y,z |
1_555 |
86 |
24 |
17949 |
771.5 |
0.4 |
0.719 |
10 |
6 |
0 |
0.000 |
| 7 |
8 |
|
E |
57 |
16 |
12899 |
◊ |
D |
x,y,z |
1_555 |
79 |
22 |
17165 |
685.8 |
-4.4 |
0.482 |
5 |
5 |
0 |
0.083 |
| 8 |
9 |
|
E |
55 |
14 |
12899 |
◊ |
B |
x,y,z |
1_555 |
77 |
20 |
17432 |
618.7 |
-2.2 |
0.598 |
8 |
5 |
0 |
0.059 |
| 9 |
10 |
|
E |
41 |
11 |
12899 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
70 |
20 |
18250 |
508.1 |
-2.3 |
0.583 |
5 |
3 |
0 |
0.000 |
| 10 |
11 |
|
[ACP]F:401 |
31 |
1 |
602 |
f |
F |
x,y,z |
1_555 |
50 |
22 |
17502 |
434.5 |
-1.7 |
0.558 |
9 |
0 |
0 |
0.100 |
| 11 |
12 |
|
[55Q]B:507 |
35 |
1 |
1007 |
f |
B |
x,y,z |
1_555 |
50 |
16 |
17432 |
426.8 |
-5.0 |
0.741 |
5 |
0 |
0 |
0.109 |
13 |
|
[55Q]D:503 |
36 |
1 |
1001 |
f |
D |
x,y,z |
1_555 |
58 |
16 |
17165 |
416.4 |
-5.2 |
0.765 |
5 |
0 |
0 |
0.109 |
| Average: |
421.6 |
-5.1 |
0.753 |
5 |
0 |
0 |
0.109 |
| 12 |
14 |
|
[GTP]A:501 |
32 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
67 |
29 |
17949 |
414.0 |
-2.7 |
0.570 |
20 |
0 |
0 |
0.177 |
15 |
|
[GTP]C:501 |
31 |
1 |
631 |
f |
C |
x,y,z |
1_555 |
68 |
29 |
18250 |
413.9 |
-2.5 |
0.586 |
18 |
0 |
0 |
0.177 |
| Average: |
413.9 |
-2.6 |
0.578 |
19 |
0 |
0 |
0.177 |
| 13 |
16 |
|
F |
42 |
11 |
17502 |
◊ |
B |
x,y,z |
1_555 |
41 |
12 |
17432 |
403.6 |
-0.6 |
0.578 |
4 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[GDP]B:501 |
27 |
1 |
561 |
f |
B |
x,y,z |
1_555 |
63 |
30 |
17432 |
391.2 |
-6.2 |
0.569 |
13 |
0 |
0 |
0.181 |
18 |
|
[GDP]D:501 |
28 |
1 |
558 |
f |
D |
x,y,z |
1_555 |
61 |
29 |
17165 |
377.6 |
-6.3 |
0.569 |
11 |
0 |
0 |
0.181 |
| Average: |
384.4 |
-6.3 |
0.569 |
12 |
0 |
0 |
0.181 |
| 15 |
19 |
|
A |
39 |
12 |
17949 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
11 |
18250 |
349.3 |
1.4 |
0.799 |
2 |
2 |
0 |
0.000 |
| 16 |
20 |
|
C |
36 |
13 |
18250 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
42 |
15 |
17949 |
339.1 |
-2.0 |
0.381 |
3 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[55Q]B:507 |
18 |
1 |
1007 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
18250 |
252.2 |
-5.8 |
0.428 |
2 |
0 |
0 |
0.101 |
| 18 |
22 |
|
C |
25 |
9 |
18250 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
5 |
12899 |
228.1 |
-0.8 |
0.552 |
2 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[MES]B:503 |
12 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
37 |
11 |
17432 |
224.8 |
6.4 |
0.455 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
B |
30 |
10 |
17432 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
23 |
6 |
18250 |
199.0 |
-1.3 |
0.415 |
2 |
2 |
0 |
0.000 |
| 21 |
25 |
|
[MES]B:504 |
11 |
1 |
332 |
◊ |
B |
x,y,z |
1_555 |
27 |
12 |
17432 |
195.7 |
7.7 |
0.570 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
E |
16 |
7 |
12899 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
18 |
8 |
17432 |
144.7 |
0.7 |
0.732 |
1 |
1 |
0 |
0.000 |
| 23 |
27 |
|
D |
21 |
6 |
17165 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
20 |
3 |
17432 |
139.2 |
-1.1 |
0.461 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[GOL]A:505 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
17949 |
130.0 |
-0.7 |
0.480 |
2 |
0 |
0 |
0.024 |
| 25 |
29 |
|
C |
16 |
7 |
18250 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
17 |
4 |
18250 |
113.9 |
0.1 |
0.645 |
2 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[GOL]A:504 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17949 |
113.2 |
1.1 |
0.715 |
4 |
0 |
0 |
0.010 |
| 27 |
31 |
|
[GOL]C:504 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
18250 |
109.6 |
-0.6 |
0.495 |
0 |
0 |
0 |
0.010 |
| 28 |
32 |
|
[GOL]A:506 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17949 |
108.4 |
-0.5 |
0.513 |
4 |
0 |
0 |
0.035 |
| 29 |
33 |
|
[GOL]F:402 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
17949 |
95.2 |
-0.8 |
0.411 |
0 |
0 |
0 |
0.012 |
| 30 |
34 |
|
F |
10 |
3 |
17502 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
18250 |
93.9 |
-0.9 |
0.306 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[GOL]B:505 |
5 |
1 |
216 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
8 |
2 |
18250 |
82.6 |
-0.2 |
0.582 |
1 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[GOL]B:506 |
5 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
17432 |
75.4 |
-0.2 |
0.516 |
2 |
0 |
0 |
0.017 |
| 33 |
37 |
|
[GOL]F:402 |
4 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
15 |
3 |
17502 |
73.4 |
0.4 |
0.602 |
1 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[GOL]B:505 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17432 |
70.1 |
0.3 |
0.697 |
3 |
0 |
0 |
0.015 |
| 35 |
39 |
|
[GOL]B:506 |
4 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
18250 |
63.7 |
-0.3 |
0.514 |
0 |
0 |
0 |
0.004 |
| 36 |
40 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
17165 |
53.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.081 |
41 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17432 |
44.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
| Average: |
48.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.081 |
| 37 |
42 |
|
[GTP]C:501 |
6 |
1 |
631 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17165 |
48.6 |
1.1 |
0.786 |
1 |
0 |
0 |
0.000 |
43 |
|
[GTP]A:501 |
6 |
1 |
627 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17432 |
44.8 |
1.1 |
0.796 |
1 |
0 |
0 |
0.000 |
| Average: |
46.7 |
1.1 |
0.791 |
1 |
0 |
0 |
0.000 |
| 38 |
44 |
|
E |
4 |
4 |
12899 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
17165 |
48.2 |
0.9 |
0.780 |
0 |
1 |
0 |
0.000 |
| 39 |
45 |
|
B |
3 |
2 |
17432 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
17502 |
44.1 |
-0.2 |
0.358 |
1 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[CA]A:503 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
17949 |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.195 |
| 41 |
47 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
18250 |
42.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.072 |
48 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17949 |
40.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
41.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.072 |
| 42 |
49 |
|
[GOL]C:504 |
3 |
1 |
216 |
◊ |
[GOL]B:506 |
x,y,z |
1_555 |
4 |
1 |
222 |
36.6 |
0.3 |
0.655 |
1 |
0 |
0 |
0.002 |
| 43 |
50 |
|
[GOL]A:504 |
4 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12899 |
34.7 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.001 |
| 44 |
51 |
|
[GDP]B:501 |
5 |
1 |
561 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.079 |
52 |
|
[GDP]D:501 |
5 |
1 |
558 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
33.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.079 |
| 45 |
53 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
627 |
33.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.070 |
54 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
631 |
33.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
33.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.070 |
| 46 |
55 |
|
[GOL]F:402 |
5 |
1 |
222 |
f |
[GOL]A:506 |
x,y,z |
1_555 |
3 |
1 |
221 |
32.8 |
0.4 |
0.630 |
1 |
0 |
0 |
0.000 |
| 47 |
56 |
|
[55Q]B:507 |
2 |
1 |
1007 |
f |
[GDP]B:501 |
x,y,z |
1_555 |
4 |
1 |
561 |
32.1 |
-0.2 |
0.572 |
0 |
0 |
0 |
0.002 |
57 |
|
[55Q]D:503 |
2 |
1 |
1001 |
f |
[GDP]D:501 |
x,y,z |
1_555 |
4 |
1 |
558 |
27.1 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.002 |
| Average: |
29.6 |
-0.1 |
0.588 |
0 |
0 |
0 |
0.002 |
| 48 |
58 |
|
A |
6 |
3 |
17949 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
17165 |
31.1 |
-0.6 |
0.342 |
0 |
0 |
0 |
0.000 |
| 49 |
59 |
|
[MES]B:504 |
4 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17949 |
25.0 |
0.3 |
0.186 |
0 |
0 |
0 |
0.000 |
| 50 |
60 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17432 |
14.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17165 |
11.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
13.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 51 |
62 |
|
B |
1 |
1 |
17432 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
12899 |
10.2 |
0.0 |
0.389 |
0 |
0 |
0 |
0.000 |
| 52 |
63 |
|
B |
1 |
1 |
17432 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17165 |
7.5 |
0.3 |
0.844 |
0 |
0 |
0 |
0.000 |
| 53 |
64 |
|
[GOL]B:505 |
1 |
1 |
216 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17165 |
5.3 |
0.3 |
0.667 |
0 |
0 |
0 |
0.000 |
| 54 |
65 |
|
[GOL]A:506 |
1 |
1 |
221 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
17502 |
1.4 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
| 55 |
66 |
|
A |
1 |
1 |
17949 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
17502 |
0.2 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
| 56 |
67 |
|
[MES]B:504 |
1 |
1 |
332 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
12899 |
0.2 |
0.0 |
0.331 |
0 |
0 |
0 |
0.000 |
|