## |
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 |
|
D |
242 |
60 |
12530 |
◊ |
A |
-x+1,y,-z |
2_655 |
241 |
59 |
12629 |
2439.1 |
-28.2 |
0.054 |
37 |
13 |
0 |
0.737 |
2 |
|
C |
231 |
58 |
12559 |
◊ |
B |
-x+1,y,-z |
2_655 |
235 |
60 |
12551 |
2361.5 |
-30.1 |
0.022 |
35 |
12 |
0 |
0.737 |
3 |
|
E |
215 |
53 |
12421 |
◊ |
E |
-x+1,y,-z |
2_655 |
217 |
53 |
12421 |
2222.2 |
-31.3 |
0.016 |
27 |
8 |
0 |
0.737 |
Average: |
2340.9 |
-29.9 |
0.031 |
33 |
11 |
0 |
0.737 |
2 |
4 |
|
E |
128 |
33 |
12421 |
◊ |
A |
x,y,z |
1_555 |
131 |
38 |
12629 |
1278.8 |
-4.2 |
0.467 |
20 |
15 |
0 |
0.483 |
5 |
|
B |
125 |
35 |
12551 |
◊ |
A |
x,y,z |
1_555 |
120 |
32 |
12629 |
1195.4 |
-1.2 |
0.577 |
21 |
15 |
0 |
0.483 |
6 |
|
D |
128 |
35 |
12530 |
◊ |
C |
x,y,z |
1_555 |
122 |
33 |
12559 |
1193.8 |
-2.3 |
0.610 |
23 |
14 |
0 |
0.483 |
7 |
|
E |
121 |
36 |
12421 |
◊ |
D |
x,y,z |
1_555 |
125 |
33 |
12530 |
1183.2 |
-3.7 |
0.517 |
24 |
13 |
0 |
0.483 |
8 |
|
C |
126 |
36 |
12559 |
◊ |
B |
x,y,z |
1_555 |
122 |
31 |
12551 |
1175.4 |
-3.4 |
0.486 |
23 |
14 |
0 |
0.483 |
Average: |
1205.3 |
-3.0 |
0.531 |
22 |
14 |
0 |
0.483 |
3 |
9 |
|
C |
40 |
11 |
12559 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
44 |
12 |
12530 |
415.3 |
-2.1 |
0.503 |
2 |
3 |
0 |
0.000 |
4 |
10 |
|
B |
37 |
14 |
12551 |
◊ |
B |
-x+1,y,-z |
2_655 |
36 |
14 |
12551 |
274.0 |
2.4 |
0.799 |
6 |
6 |
0 |
0.012 |
11 |
|
E |
30 |
10 |
12421 |
◊ |
D |
-x+1,y,-z |
2_655 |
32 |
11 |
12530 |
263.6 |
1.5 |
0.750 |
5 |
4 |
0 |
0.012 |
12 |
|
C |
29 |
10 |
12559 |
◊ |
A |
-x+1,y,-z |
2_655 |
34 |
12 |
12629 |
247.2 |
-0.7 |
0.560 |
2 |
0 |
0 |
0.012 |
Average: |
261.6 |
1.0 |
0.703 |
4 |
3 |
0 |
0.012 |
5 |
13 |
|
[GTP]D:302 |
25 |
1 |
623 |
◊ |
E |
x,y,z |
1_555 |
31 |
14 |
12421 |
245.3 |
3.3 |
0.891 |
10 |
0 |
0 |
0.032 |
14 |
|
[GTP]E:302 |
25 |
1 |
614 |
◊ |
A |
x,y,z |
1_555 |
30 |
14 |
12629 |
244.2 |
2.0 |
0.797 |
9 |
0 |
0 |
0.032 |
15 |
|
[GTP]B:304 |
24 |
1 |
618 |
◊ |
C |
x,y,z |
1_555 |
33 |
14 |
12559 |
240.8 |
2.5 |
0.852 |
7 |
0 |
0 |
0.032 |
16 |
|
[GTP]A:301 |
24 |
1 |
619 |
◊ |
B |
x,y,z |
1_555 |
29 |
14 |
12551 |
238.9 |
2.2 |
0.801 |
7 |
0 |
0 |
0.032 |
17 |
|
[GTP]C:302 |
26 |
1 |
622 |
◊ |
D |
x,y,z |
1_555 |
32 |
15 |
12530 |
233.3 |
2.9 |
0.871 |
7 |
0 |
0 |
0.032 |
Average: |
240.5 |
2.6 |
0.842 |
8 |
0 |
0 |
0.032 |
6 |
18 |
|
[GTP]C:302 |
27 |
1 |
622 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
12559 |
229.3 |
-2.4 |
0.527 |
13 |
0 |
0 |
0.247 |
19 |
|
[GTP]A:301 |
26 |
1 |
619 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
12629 |
226.9 |
-2.6 |
0.492 |
14 |
0 |
0 |
0.247 |
20 |
|
[GTP]E:302 |
26 |
1 |
614 |
f |
E |
x,y,z |
1_555 |
25 |
11 |
12421 |
224.0 |
-1.3 |
0.579 |
11 |
0 |
0 |
0.247 |
21 |
|
[GTP]B:304 |
25 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
12551 |
224.0 |
-2.0 |
0.505 |
13 |
0 |
0 |
0.247 |
22 |
|
[GTP]D:302 |
25 |
1 |
623 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
12530 |
222.2 |
-1.9 |
0.545 |
12 |
0 |
0 |
0.247 |
Average: |
225.3 |
-2.0 |
0.530 |
13 |
0 |
0 |
0.247 |
7 |
23 |
|
[TRS]B:303 |
7 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
12551 |
154.9 |
2.4 |
0.103 |
2 |
0 |
0 |
0.000 |
24 |
|
[TRS]C:303 |
7 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
12559 |
150.9 |
3.2 |
0.175 |
2 |
0 |
0 |
0.000 |
Average: |
152.9 |
2.8 |
0.139 |
2 |
0 |
0 |
0.000 |
8 |
25 |
|
[PEG]B:302 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
12551 |
147.0 |
4.2 |
0.427 |
4 |
0 |
0 |
0.000 |
9 |
26 |
|
C |
13 |
6 |
12559 |
◊ |
A |
-x+1,y,-z-1 |
2_654 |
16 |
6 |
12629 |
144.6 |
-0.6 |
0.525 |
2 |
0 |
0 |
0.000 |
27 |
|
E |
17 |
7 |
12421 |
◊ |
D |
-x+1,y,-z-1 |
2_654 |
16 |
6 |
12530 |
134.9 |
-1.6 |
0.412 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
14 |
5 |
12551 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
14 |
5 |
12551 |
121.4 |
-1.2 |
0.423 |
1 |
0 |
0 |
0.000 |
Average: |
133.6 |
-1.1 |
0.453 |
1 |
0 |
0 |
0.000 |
10 |
29 |
|
[TRS]D:303 |
7 |
1 |
254 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
12530 |
143.5 |
2.9 |
0.131 |
2 |
0 |
0 |
0.000 |
11 |
30 |
|
[GOL]E:301 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
12421 |
125.3 |
0.0 |
0.507 |
4 |
0 |
0 |
0.058 |
31 |
|
[GOL]A:302 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
12629 |
123.3 |
-0.4 |
0.549 |
2 |
0 |
0 |
0.058 |
32 |
|
[GOL]B:301 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
12551 |
106.5 |
0.4 |
0.589 |
3 |
0 |
0 |
0.058 |
Average: |
118.4 |
0.0 |
0.548 |
3 |
0 |
0 |
0.058 |
12 |
33 |
|
[GOL]C:301 |
6 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
12559 |
124.9 |
0.2 |
0.573 |
1 |
0 |
0 |
0.002 |
13 |
34 |
|
[GOL]D:301 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
12530 |
123.3 |
0.1 |
0.514 |
2 |
0 |
0 |
0.011 |
14 |
35 |
|
[GOL]C:306 |
6 |
1 |
211 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
12559 |
118.8 |
-0.4 |
0.593 |
2 |
0 |
0 |
0.017 |
15 |
36 |
|
B |
13 |
6 |
12551 |
◊ |
E |
x,y-1,z |
1_545 |
14 |
5 |
12421 |
99.9 |
-1.0 |
0.460 |
1 |
0 |
0 |
0.000 |
16 |
37 |
|
[GOL]C:305 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
12559 |
83.4 |
0.7 |
0.648 |
1 |
0 |
0 |
0.000 |
17 |
38 |
|
[GTP]D:302 |
9 |
1 |
623 |
◊ |
E |
-x+1,y,-z |
2_655 |
13 |
5 |
12421 |
79.4 |
-1.6 |
0.461 |
1 |
0 |
0 |
0.039 |
39 |
|
[GTP]C:302 |
9 |
1 |
622 |
◊ |
A |
-x+1,y,-z |
2_655 |
13 |
5 |
12629 |
76.5 |
-1.6 |
0.432 |
2 |
0 |
0 |
0.039 |
40 |
|
[GTP]B:304 |
9 |
1 |
618 |
◊ |
B |
-x+1,y,-z |
2_655 |
11 |
4 |
12551 |
69.5 |
-1.6 |
0.450 |
2 |
0 |
0 |
0.039 |
41 |
|
[GTP]E:302 |
9 |
1 |
614 |
◊ |
D |
-x+1,y,-z |
2_655 |
9 |
3 |
12530 |
65.7 |
-1.6 |
0.466 |
1 |
0 |
0 |
0.039 |
42 |
|
[GTP]A:301 |
9 |
1 |
619 |
◊ |
C |
-x+1,y,-z |
2_655 |
10 |
3 |
12559 |
63.5 |
-1.2 |
0.520 |
2 |
0 |
0 |
0.039 |
Average: |
70.9 |
-1.6 |
0.466 |
2 |
0 |
0 |
0.039 |
18 |
43 |
|
C |
10 |
4 |
12559 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
12629 |
68.1 |
1.6 |
0.712 |
2 |
3 |
0 |
0.000 |
19 |
44 |
|
[GOL]D:301 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
12559 |
61.0 |
0.8 |
0.721 |
3 |
0 |
0 |
0.003 |
20 |
45 |
|
[GOL]C:301 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
12551 |
58.9 |
0.7 |
0.700 |
3 |
0 |
0 |
0.008 |
21 |
46 |
|
[GOL]A:302 |
5 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
12421 |
57.9 |
0.7 |
0.712 |
3 |
0 |
0 |
0.009 |
47 |
|
[GOL]B:301 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12629 |
55.2 |
0.6 |
0.746 |
3 |
0 |
0 |
0.009 |
Average: |
56.5 |
0.6 |
0.729 |
3 |
0 |
0 |
0.009 |
22 |
48 |
|
[GOL]E:301 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
12530 |
56.0 |
0.6 |
0.669 |
3 |
0 |
0 |
0.005 |
23 |
49 |
|
[GOL]C:305 |
4 |
1 |
217 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
8 |
3 |
12629 |
55.5 |
-0.5 |
0.444 |
0 |
0 |
0 |
0.000 |
24 |
50 |
|
E |
6 |
4 |
12421 |
◊ |
A |
-x+1,y,-z |
2_655 |
5 |
3 |
12629 |
50.5 |
-1.4 |
0.213 |
0 |
0 |
0 |
0.012 |
51 |
|
C |
5 |
3 |
12559 |
◊ |
C |
-x+1,y,-z |
2_655 |
5 |
3 |
12559 |
50.5 |
-1.4 |
0.195 |
0 |
0 |
0 |
0.012 |
52 |
|
D |
5 |
3 |
12530 |
◊ |
B |
-x+1,y,-z |
2_655 |
5 |
3 |
12551 |
49.3 |
-1.4 |
0.198 |
0 |
0 |
0 |
0.012 |
Average: |
50.1 |
-1.4 |
0.202 |
0 |
0 |
0 |
0.012 |
25 |
53 |
|
[PEG]B:302 |
5 |
1 |
261 |
f |
[GOL]B:301 |
x,y,z |
1_555 |
4 |
1 |
219 |
42.1 |
0.9 |
0.205 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
[GOL]C:305 |
4 |
1 |
217 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
4 |
3 |
12530 |
37.1 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
27 |
55 |
|
[GOL]C:305 |
4 |
1 |
217 |
f |
B |
-x+1,y,-z |
2_655 |
3 |
1 |
12551 |
33.7 |
-0.6 |
0.340 |
0 |
0 |
0 |
0.009 |
28 |
56 |
|
[CA]C:304 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12559 |
33.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.209 |
57 |
|
[CA]B:305 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
12551 |
32.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.209 |
58 |
|
[CA]D:304 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
12530 |
31.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.209 |
Average: |
32.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.209 |
29 |
59 |
|
[CA]B:305 |
1 |
1 |
85 |
◊ |
[GTP]A:301 |
x,y,z |
1_555 |
6 |
1 |
619 |
27.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.084 |
60 |
|
[CA]D:304 |
1 |
1 |
85 |
◊ |
[GTP]C:302 |
x,y,z |
1_555 |
6 |
1 |
622 |
27.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.084 |
61 |
|
[CA]C:304 |
1 |
1 |
85 |
◊ |
[GTP]B:304 |
x,y,z |
1_555 |
4 |
1 |
618 |
26.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
26.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.084 |
30 |
62 |
|
[GOL]C:306 |
3 |
1 |
211 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12551 |
21.1 |
0.9 |
0.805 |
1 |
0 |
0 |
0.000 |
31 |
63 |
|
E |
2 |
1 |
12421 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12559 |
12.5 |
0.3 |
0.421 |
0 |
0 |
0 |
0.000 |
32 |
64 |
|
[CA]B:305 |
1 |
1 |
85 |
◊ |
C |
-x+1,y,-z |
2_655 |
1 |
1 |
12559 |
1.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
33 |
65 |
|
[GOL]C:306 |
1 |
1 |
211 |
◊ |
B |
-x+1,y,-z |
2_655 |
1 |
1 |
12551 |
0.1 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
|