| ## |
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 |
48 |
13 |
7495 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
48 |
13 |
7495 |
443.8 |
-0.3 |
0.546 |
2 |
0 |
0 |
0.000 |
| 2 |
2 |
|
C |
42 |
5 |
1544 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
7495 |
401.6 |
-2.4 |
0.613 |
9 |
0 |
0 |
0.065 |
| 3 |
3 |
|
A |
43 |
12 |
7495 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
11 |
7495 |
328.0 |
2.2 |
0.690 |
2 |
4 |
0 |
0.000 |
| 4 |
4 |
|
B |
23 |
3 |
1047 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
7495 |
223.7 |
-6.1 |
0.266 |
3 |
0 |
0 |
0.096 |
| 5 |
5 |
|
b |
25 |
2 |
691 |
◊ |
A |
x,y,z |
1_555 |
32 |
14 |
7495 |
200.8 |
-4.2 |
0.341 |
5 |
0 |
0 |
0.067 |
| 6 |
6 |
|
B |
19 |
4 |
1047 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1544 |
179.8 |
-2.6 |
0.526 |
7 |
0 |
0 |
0.376 |
| 7 |
7 |
|
A |
18 |
4 |
7495 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
22 |
7 |
7495 |
149.3 |
-0.7 |
0.451 |
0 |
1 |
0 |
0.000 |
| 8 |
8 |
|
[GOL]A:211 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
7495 |
127.1 |
-0.8 |
0.438 |
1 |
0 |
0 |
0.016 |
| 9 |
9 |
|
b |
16 |
2 |
691 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
1544 |
123.6 |
0.3 |
0.687 |
6 |
0 |
0 |
0.021 |
| 10 |
10 |
|
[GOL]A:210 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
7495 |
106.7 |
-0.3 |
0.452 |
1 |
0 |
0 |
0.010 |
| 11 |
11 |
|
[RB]A:206 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7495 |
98.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.073 |
| 12 |
12 |
|
b |
13 |
1 |
691 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1047 |
95.0 |
2.8 |
0.840 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
C |
13 |
1 |
1544 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1544 |
95.0 |
1.9 |
0.743 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[GOL]A:212 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7495 |
94.3 |
0.2 |
0.627 |
1 |
0 |
0 |
0.004 |
| 15 |
15 |
|
[EDO]A:213 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
7495 |
90.9 |
2.8 |
0.454 |
2 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[RB]A:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
7495 |
82.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.116 |
17 |
|
[RB]A:205 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
7495 |
81.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
81.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.116 |
| 17 |
18 |
|
[RB]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
1544 |
81.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.467 |
| 18 |
19 |
|
[GOL]C:102 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
1544 |
72.1 |
1.7 |
0.769 |
3 |
0 |
0 |
0.000 |
| 19 |
20 |
|
b |
14 |
1 |
691 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1047 |
71.8 |
0.4 |
0.693 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7495 |
67.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.130 |
| 21 |
22 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
7495 |
64.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.047 |
| 22 |
23 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
7495 |
62.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.116 |
| 23 |
24 |
|
[RB]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1047 |
62.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.157 |
| 24 |
25 |
|
[CL]A:209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7495 |
60.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.115 |
| 25 |
26 |
|
[GOL]C:102 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7495 |
59.5 |
0.0 |
0.589 |
2 |
0 |
0 |
0.011 |
| 26 |
27 |
|
[GOL]A:210 |
4 |
1 |
219 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
7495 |
58.7 |
0.6 |
0.689 |
2 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[RB]A:204 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
1 |
1047 |
52.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.039 |
| 28 |
29 |
|
[RB]A:203 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
10 |
2 |
691 |
47.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.076 |
30 |
|
[RB]A:205 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
9 |
2 |
691 |
35.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
41.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.076 |
| 29 |
31 |
|
[GOL]A:212 |
4 |
1 |
215 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
7495 |
46.3 |
0.3 |
0.597 |
1 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[RB]A:205 |
1 |
1 |
216 |
f |
[RB]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 31 |
33 |
|
C |
6 |
1 |
1544 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
1047 |
41.6 |
0.5 |
0.620 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[GOL]A:211 |
4 |
1 |
219 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7495 |
34.8 |
0.6 |
0.724 |
1 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[GOL]C:102 |
4 |
1 |
219 |
◊ |
b |
x,y,z |
1_555 |
6 |
2 |
691 |
32.5 |
-0.2 |
0.511 |
0 |
0 |
0 |
0.003 |
| 34 |
36 |
|
[RB]A:204 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
691 |
32.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 35 |
37 |
|
[GOL]A:212 |
3 |
1 |
215 |
f |
[GOL]A:210 |
x,y,z |
1_555 |
4 |
1 |
219 |
30.5 |
0.4 |
0.660 |
1 |
0 |
0 |
0.000 |
| 36 |
38 |
|
A |
5 |
2 |
7495 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
1047 |
26.7 |
0.4 |
0.578 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[RB]A:205 |
1 |
1 |
216 |
f |
[RB]A:204 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.034 |
| 38 |
40 |
|
[CL]A:209 |
1 |
1 |
125 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7495 |
25.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[GOL]A:212 |
2 |
1 |
215 |
f |
[CL]A:207 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 40 |
42 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7495 |
24.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.056 |
| 41 |
43 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
6 |
7495 |
22.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 42 |
44 |
|
b |
4 |
1 |
691 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1544 |
21.5 |
-1.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
b |
x,y,z |
1_555 |
6 |
2 |
691 |
18.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 44 |
46 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
3 |
1 |
691 |
18.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 45 |
47 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
1047 |
17.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 46 |
48 |
|
[RB]A:205 |
1 |
1 |
216 |
◊ |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 47 |
49 |
|
[RB]A:203 |
1 |
1 |
216 |
◊ |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 48 |
50 |
|
[GOL]C:102 |
2 |
1 |
219 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
1047 |
13.4 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
| 49 |
51 |
|
C |
2 |
1 |
1544 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
7495 |
13.3 |
0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
[MG]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 51 |
53 |
|
[RB]A:204 |
1 |
1 |
216 |
◊ |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 52 |
54 |
|
[RB]A:204 |
1 |
1 |
216 |
f |
[RB]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 53 |
55 |
|
A |
1 |
1 |
7495 |
◊ |
[RB]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
8.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
56 |
|
[RB]A:205 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1047 |
6.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 55 |
57 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
| 56 |
58 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1047 |
5.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 57 |
59 |
|
b |
4 |
1 |
691 |
◊ |
[RB]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
4.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 58 |
60 |
|
[RB]A:205 |
1 |
1 |
216 |
f |
[MG]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|