| ## |
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 |
|
A |
47 |
13 |
7676 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
46 |
13 |
7676 |
426.9 |
-0.6 |
0.542 |
2 |
0 |
0 |
0.000 |
| 2 |
2 |
|
C |
42 |
5 |
1547 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
7676 |
381.4 |
-2.6 |
0.578 |
7 |
0 |
0 |
0.056 |
| 3 |
3 |
|
A |
41 |
12 |
7676 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
10 |
7676 |
318.1 |
2.0 |
0.687 |
2 |
5 |
0 |
0.000 |
| 4 |
4 |
|
b |
29 |
2 |
696 |
◊ |
A |
x,y,z |
1_555 |
36 |
15 |
7676 |
239.0 |
-5.5 |
0.277 |
6 |
0 |
0 |
0.084 |
| 5 |
5 |
|
B |
22 |
3 |
1034 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
7676 |
224.8 |
-5.3 |
0.299 |
4 |
0 |
0 |
0.083 |
| 6 |
6 |
|
B |
20 |
4 |
1034 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1547 |
176.5 |
-2.4 |
0.532 |
7 |
0 |
0 |
0.420 |
| 7 |
7 |
|
A |
17 |
4 |
7676 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
17 |
5 |
7676 |
143.5 |
-0.3 |
0.526 |
1 |
1 |
0 |
0.000 |
| 8 |
8 |
|
b |
16 |
2 |
696 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
1547 |
122.9 |
0.6 |
0.723 |
6 |
0 |
0 |
0.017 |
| 9 |
9 |
|
[GOL]A:210 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
7676 |
103.0 |
-0.8 |
0.393 |
1 |
0 |
0 |
0.015 |
| 10 |
10 |
|
[EDO]A:213 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
7676 |
102.5 |
3.0 |
0.403 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[GOL]A:211 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
7676 |
99.2 |
0.4 |
0.633 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
C |
13 |
1 |
1547 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1547 |
92.4 |
1.8 |
0.733 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[RB]A:205 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
7676 |
91.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.058 |
| 14 |
14 |
|
[EDO]A:212 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
7676 |
89.3 |
2.8 |
0.464 |
2 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]A:214 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
7676 |
85.3 |
2.5 |
0.255 |
1 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[EDO]A:215 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
3 |
1547 |
85.2 |
2.6 |
0.286 |
1 |
0 |
0 |
0.000 |
| 17 |
17 |
|
b |
13 |
1 |
696 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1034 |
85.0 |
3.1 |
0.867 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[RB]A:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
7676 |
78.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.126 |
19 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
7676 |
77.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.126 |
| Average: |
77.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.126 |
| 19 |
20 |
|
[RB]b:101 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
7676 |
75.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.053 |
| 20 |
21 |
|
[RB]C:201 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
1547 |
73.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.484 |
| 21 |
22 |
|
b |
15 |
1 |
696 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1034 |
69.1 |
-0.3 |
0.657 |
1 |
0 |
0 |
0.007 |
| 22 |
23 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7676 |
68.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.116 |
| 23 |
24 |
|
[GOL]A:209 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
1547 |
66.5 |
1.3 |
0.720 |
1 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7676 |
63.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.106 |
| 25 |
26 |
|
[GOL]A:209 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7676 |
63.0 |
-0.2 |
0.587 |
1 |
0 |
0 |
0.007 |
| 26 |
27 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7676 |
61.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.105 |
| 27 |
28 |
|
[RB]C:201 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1034 |
58.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.154 |
| 28 |
29 |
|
A |
9 |
4 |
7676 |
f |
[EDO]A:214 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
187 |
58.1 |
1.2 |
0.726 |
2 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[GOL]A:210 |
6 |
1 |
218 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
7676 |
57.3 |
0.5 |
0.682 |
4 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[RB]b:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
1 |
1034 |
50.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| 31 |
32 |
|
C |
8 |
1 |
1547 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
7 |
1 |
1034 |
46.5 |
0.8 |
0.662 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]A:215 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
7676 |
44.2 |
1.0 |
0.642 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[EDO]B:101 |
4 |
1 |
185 |
f |
[RB]C:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.124 |
| 34 |
35 |
|
[RB]A:203 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
9 |
2 |
696 |
42.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.067 |
36 |
|
[RB]A:204 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
10 |
2 |
696 |
35.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
39.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.067 |
| 35 |
37 |
|
[GOL]A:211 |
4 |
1 |
217 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
7676 |
42.6 |
0.3 |
0.597 |
1 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
[RB]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
41.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.048 |
| 37 |
39 |
|
[EDO]B:101 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
1547 |
39.7 |
-0.6 |
0.498 |
0 |
0 |
0 |
0.044 |
| 38 |
40 |
|
[EDO]A:213 |
3 |
1 |
183 |
f |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7676 |
34.6 |
0.8 |
0.907 |
2 |
0 |
0 |
0.001 |
| 39 |
41 |
|
b |
6 |
2 |
696 |
◊ |
[EDO]B:101 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
185 |
31.7 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[EDO]B:101 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
1034 |
30.6 |
1.2 |
0.893 |
1 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[GOL]A:211 |
4 |
1 |
217 |
f |
[GOL]A:210 |
x,y,z |
1_555 |
4 |
1 |
218 |
30.5 |
0.5 |
0.660 |
2 |
0 |
0 |
0.005 |
| 42 |
44 |
|
[RB]b:101 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
696 |
30.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.028 |
| 43 |
45 |
|
[GOL]A:209 |
3 |
1 |
220 |
◊ |
b |
x,y,z |
1_555 |
7 |
2 |
696 |
28.8 |
0.5 |
0.694 |
0 |
0 |
0 |
0.000 |
| 44 |
46 |
|
A |
3 |
1 |
7676 |
◊ |
[RB]C:201 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
28.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
A |
4 |
1 |
7676 |
◊ |
[EDO]B:101 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
185 |
26.3 |
0.5 |
0.787 |
1 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[GOL]A:211 |
4 |
1 |
217 |
f |
[CL]A:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| 47 |
49 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7676 |
25.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.054 |
| 48 |
50 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7676 |
25.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7676 |
25.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.038 |
| 50 |
52 |
|
[RB]b:101 |
1 |
1 |
216 |
f |
[RB]A:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.027 |
| 51 |
53 |
|
C |
2 |
1 |
1547 |
◊ |
[EDO]B:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
185 |
20.9 |
1.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
696 |
19.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.030 |
| 53 |
55 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
4 |
1 |
696 |
17.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 54 |
56 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1034 |
16.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| 55 |
57 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.025 |
| 56 |
58 |
|
b |
3 |
1 |
696 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1547 |
13.7 |
-0.8 |
0.423 |
0 |
0 |
0 |
0.000 |
| 57 |
59 |
|
[RB]A:203 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| 58 |
60 |
|
A |
4 |
2 |
7676 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
1034 |
11.6 |
0.4 |
0.668 |
0 |
0 |
0 |
0.000 |
| 59 |
61 |
|
[RB]b:101 |
1 |
1 |
216 |
f |
[MG]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 60 |
62 |
|
C |
1 |
1 |
1547 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7676 |
9.3 |
0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
| 61 |
63 |
|
[RB]b:101 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 62 |
64 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| 63 |
65 |
|
[RB]b:101 |
1 |
1 |
216 |
f |
[RB]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
6.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 64 |
66 |
|
[GOL]A:209 |
1 |
1 |
220 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
1034 |
1.7 |
-0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
| 65 |
67 |
|
b |
2 |
1 |
696 |
◊ |
[RB]C:201 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 66 |
68 |
|
[EDO]B:101 |
1 |
1 |
185 |
f |
[EDO]A:215 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.0 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[EDO]A:215 |
1 |
1 |
185 |
f |
[RB]C:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|