| ## |
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 |
265 |
66 |
17100 |
◊ |
E |
-x+1,y,-z |
5_655 |
258 |
65 |
17100 |
2510.2 |
-21.2 |
0.091 |
34 |
24 |
0 |
0.619 |
2 |
|
D |
266 |
66 |
17292 |
◊ |
C |
x,y,z |
1_555 |
267 |
66 |
17173 |
2490.6 |
-20.2 |
0.097 |
34 |
26 |
0 |
0.619 |
3 |
|
B |
270 |
67 |
17299 |
◊ |
A |
x,y,z |
1_555 |
265 |
66 |
17121 |
2489.5 |
-19.9 |
0.118 |
34 |
26 |
0 |
0.619 |
| Average: |
2496.8 |
-20.4 |
0.102 |
34 |
25 |
0 |
0.619 |
| 2 |
4 |
|
E |
138 |
34 |
17100 |
◊ |
E |
-y,-x,-z |
8_555 |
135 |
34 |
17100 |
1303.1 |
-12.1 |
0.152 |
16 |
4 |
0 |
0.451 |
5 |
|
D |
140 |
34 |
17292 |
◊ |
C |
-y,x-1,z |
3_545 |
137 |
34 |
17173 |
1288.3 |
-12.4 |
0.131 |
16 |
4 |
0 |
0.451 |
6 |
|
A |
134 |
34 |
17121 |
◊ |
B |
-y,x,z |
3_555 |
131 |
33 |
17299 |
1274.0 |
-13.2 |
0.103 |
18 |
4 |
0 |
0.451 |
| Average: |
1288.5 |
-12.6 |
0.129 |
17 |
4 |
0 |
0.451 |
| 3 |
7 |
|
E |
152 |
39 |
17100 |
x |
E |
-y,x-1,z |
3_545 |
133 |
37 |
17100 |
1268.6 |
2.2 |
0.763 |
26 |
9 |
0 |
0.454 |
8 |
|
A |
151 |
39 |
17121 |
x |
A |
-y,x,z |
3_555 |
131 |
35 |
17121 |
1250.2 |
2.3 |
0.742 |
25 |
10 |
0 |
0.454 |
9 |
|
C |
127 |
35 |
17173 |
x |
C |
-y,x-1,z |
3_545 |
146 |
37 |
17173 |
1237.7 |
2.0 |
0.730 |
25 |
10 |
0 |
0.454 |
10 |
|
B |
135 |
37 |
17299 |
x |
B |
-y,x,z |
3_555 |
153 |
40 |
17299 |
1235.6 |
0.9 |
0.661 |
26 |
10 |
0 |
0.454 |
11 |
|
D |
146 |
39 |
17292 |
x |
D |
-y,x-1,z |
3_545 |
126 |
35 |
17292 |
1233.5 |
2.0 |
0.696 |
25 |
10 |
0 |
0.454 |
| Average: |
1245.1 |
1.9 |
0.718 |
25 |
10 |
0 |
0.454 |
| 4 |
12 |
|
C |
38 |
15 |
17173 |
◊ |
B |
x,y,z |
1_555 |
33 |
13 |
17299 |
300.3 |
-0.7 |
0.569 |
1 |
0 |
0 |
0.000 |
| 5 |
13 |
|
E |
23 |
7 |
17100 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
17173 |
190.2 |
4.4 |
0.960 |
3 |
0 |
0 |
0.000 |
14 |
|
D |
22 |
7 |
17292 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
13_545 |
22 |
7 |
17121 |
173.0 |
4.0 |
0.946 |
2 |
0 |
0 |
0.000 |
| Average: |
181.6 |
4.2 |
0.953 |
3 |
0 |
0 |
0.000 |
| 6 |
15 |
|
[GCO]D:422 |
13 |
1 |
336 |
f |
D |
x,y,z |
1_555 |
28 |
18 |
17292 |
186.4 |
0.8 |
0.462 |
9 |
0 |
0 |
0.137 |
16 |
|
[GCO]A:423 |
13 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
29 |
17 |
17121 |
185.9 |
0.9 |
0.462 |
9 |
0 |
0 |
0.137 |
17 |
|
[GCO]B:422 |
13 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
30 |
18 |
17299 |
184.9 |
1.0 |
0.469 |
9 |
0 |
0 |
0.137 |
18 |
|
[GCO]C:424 |
13 |
1 |
329 |
f |
C |
x,y,z |
1_555 |
27 |
18 |
17173 |
183.1 |
1.0 |
0.468 |
9 |
0 |
0 |
0.137 |
19 |
|
[GCO]E:422 |
13 |
1 |
330 |
f |
E |
x,y,z |
1_555 |
26 |
16 |
17100 |
182.3 |
1.0 |
0.487 |
9 |
0 |
0 |
0.137 |
| Average: |
184.5 |
0.9 |
0.470 |
9 |
0 |
0 |
0.137 |
| 7 |
20 |
|
C |
19 |
6 |
17173 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
17121 |
177.7 |
-0.7 |
0.503 |
0 |
0 |
0 |
0.000 |
| 8 |
21 |
|
[GOL]B:421 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
17299 |
145.1 |
-0.6 |
0.551 |
4 |
0 |
0 |
0.090 |
22 |
|
[GOL]C:421 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
17173 |
145.0 |
-0.6 |
0.537 |
4 |
0 |
0 |
0.090 |
| Average: |
145.0 |
-0.6 |
0.544 |
4 |
0 |
0 |
0.090 |
| 9 |
23 |
|
[GOL]D:421 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
17292 |
142.4 |
-0.6 |
0.541 |
4 |
0 |
0 |
0.053 |
24 |
|
[GOL]A:421 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
17121 |
142.4 |
-0.6 |
0.552 |
5 |
0 |
0 |
0.053 |
| Average: |
142.4 |
-0.6 |
0.547 |
5 |
0 |
0 |
0.053 |
| 10 |
25 |
|
[GOL]A:424 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
17121 |
115.1 |
-0.1 |
0.575 |
3 |
0 |
0 |
0.027 |
| 11 |
26 |
|
[GOL]C:423 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
17173 |
114.6 |
0.1 |
0.616 |
4 |
0 |
0 |
0.067 |
27 |
|
[GOL]D:423 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
17292 |
114.5 |
0.0 |
0.610 |
4 |
0 |
0 |
0.067 |
| Average: |
114.6 |
0.0 |
0.613 |
4 |
0 |
0 |
0.067 |
| 12 |
28 |
|
E |
11 |
5 |
17100 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
17299 |
62.8 |
0.7 |
0.756 |
1 |
2 |
0 |
0.000 |
| 13 |
29 |
|
[GCO]B:422 |
8 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
17121 |
57.0 |
-0.1 |
0.272 |
0 |
0 |
0 |
0.002 |
30 |
|
[GCO]D:422 |
8 |
1 |
336 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
17173 |
56.8 |
-0.0 |
0.274 |
0 |
0 |
0 |
0.002 |
31 |
|
[GCO]E:422 |
7 |
1 |
330 |
◊ |
E |
-x+1,y,-z |
5_655 |
11 |
2 |
17100 |
56.1 |
-0.0 |
0.330 |
0 |
0 |
0 |
0.002 |
32 |
|
[GCO]C:424 |
7 |
1 |
329 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
17292 |
56.0 |
0.0 |
0.305 |
0 |
0 |
0 |
0.002 |
33 |
|
[GCO]A:423 |
8 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
17299 |
55.3 |
-0.1 |
0.280 |
0 |
0 |
0 |
0.002 |
| Average: |
56.3 |
-0.0 |
0.292 |
0 |
0 |
0 |
0.002 |
| 14 |
34 |
|
[CL]E:421 |
1 |
1 |
125 |
x |
E |
x,y,z |
1_555 |
8 |
4 |
17100 |
56.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.341 |
35 |
|
[CL]A:422 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
17299 |
46.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.341 |
36 |
|
[CL]C:422 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
9 |
4 |
17292 |
46.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.341 |
37 |
|
[CL]C:422 |
1 |
1 |
125 |
x |
C |
x,y,z |
1_555 |
8 |
4 |
17173 |
46.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.341 |
38 |
|
[CL]A:422 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
17121 |
46.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.341 |
| Average: |
48.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.341 |
| 15 |
39 |
|
[CL]E:421 |
1 |
1 |
125 |
f |
[CL]E:421 |
-x+1,y,-z |
5_655 |
1 |
1 |
125 |
35.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 16 |
40 |
|
[MG]B:420 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
17299 |
34.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.275 |
41 |
|
[MG]A:420 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
17121 |
34.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.275 |
42 |
|
[MG]D:420 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
8 |
17292 |
34.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.275 |
43 |
|
[MG]E:420 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
8 |
17100 |
34.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.275 |
44 |
|
[MG]C:420 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
9 |
17173 |
34.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.275 |
| Average: |
34.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.275 |
| 17 |
45 |
|
[GCO]A:423 |
4 |
1 |
334 |
f |
[MG]A:420 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.136 |
46 |
|
[GCO]D:422 |
4 |
1 |
336 |
f |
[MG]D:420 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.136 |
47 |
|
[GCO]E:422 |
4 |
1 |
330 |
f |
[MG]E:420 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.136 |
48 |
|
[GCO]B:422 |
4 |
1 |
334 |
f |
[MG]B:420 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.136 |
49 |
|
[GCO]C:424 |
3 |
1 |
329 |
f |
[MG]C:420 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
27.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.136 |
| 18 |
50 |
|
B |
3 |
1 |
17299 |
◊ |
E |
-y,x-1,z |
3_545 |
3 |
1 |
17100 |
22.4 |
0.3 |
0.753 |
0 |
0 |
0 |
0.000 |
| 19 |
51 |
|
D |
3 |
2 |
17292 |
◊ |
D |
y+1/2,x-1/2,-z+1/2 |
15_545 |
3 |
2 |
17292 |
22.1 |
0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
| 20 |
52 |
|
[MG]C:420 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17292 |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
53 |
|
[MG]E:420 |
1 |
1 |
98 |
◊ |
E |
-x+1,y,-z |
5_655 |
1 |
1 |
17100 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
54 |
|
[MG]A:420 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17299 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
55 |
|
[MG]D:420 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17173 |
2.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
56 |
|
[MG]B:420 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17121 |
2.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.007 |
|