## |
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 |
|
C |
220 |
61 |
22354 |
◊ |
A |
x,y,z |
1_555 |
217 |
59 |
22382 |
2016.2 |
-5.2 |
0.404 |
31 |
6 |
0 |
0.266 |
2 |
|
D |
216 |
60 |
22360 |
◊ |
B |
x,y,z |
1_555 |
219 |
60 |
22410 |
1994.1 |
-5.2 |
0.394 |
30 |
6 |
0 |
0.266 |
Average: |
2005.2 |
-5.2 |
0.399 |
31 |
6 |
0 |
0.266 |
2 |
3 |
|
C |
192 |
49 |
22354 |
◊ |
B |
x,y,z |
1_555 |
193 |
50 |
22410 |
1766.9 |
-9.8 |
0.198 |
25 |
0 |
0 |
0.255 |
4 |
|
D |
188 |
48 |
22360 |
◊ |
A |
x,y,z |
1_555 |
189 |
48 |
22382 |
1745.0 |
-9.8 |
0.194 |
25 |
0 |
0 |
0.255 |
Average: |
1755.9 |
-9.8 |
0.196 |
25 |
0 |
0 |
0.255 |
3 |
5 |
|
C |
48 |
10 |
22354 |
x |
C |
-x+2,y-1/2,-z+2 |
2_747 |
48 |
15 |
22354 |
444.5 |
-3.4 |
0.214 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
[TTP]B:702 |
29 |
1 |
596 |
f |
B |
x,y,z |
1_555 |
62 |
26 |
22410 |
420.3 |
-0.7 |
0.706 |
9 |
0 |
0 |
0.172 |
7 |
|
[TTP]A:703 |
28 |
1 |
592 |
f |
A |
x,y,z |
1_555 |
58 |
22 |
22382 |
403.6 |
-1.2 |
0.667 |
12 |
0 |
0 |
0.172 |
8 |
|
[TTP]C:701 |
28 |
1 |
590 |
f |
C |
x,y,z |
1_555 |
56 |
23 |
22354 |
398.3 |
-0.7 |
0.696 |
14 |
0 |
0 |
0.172 |
9 |
|
[TTP]D:702 |
28 |
1 |
585 |
f |
D |
x,y,z |
1_555 |
57 |
23 |
22360 |
397.5 |
-0.3 |
0.722 |
13 |
0 |
0 |
0.172 |
Average: |
404.9 |
-0.7 |
0.698 |
12 |
0 |
0 |
0.172 |
5 |
10 |
|
B |
48 |
15 |
22410 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
22382 |
400.1 |
-4.2 |
0.221 |
0 |
4 |
0 |
0.043 |
11 |
|
D |
48 |
14 |
22360 |
◊ |
C |
x,y,z |
1_555 |
47 |
14 |
22354 |
389.6 |
-3.8 |
0.245 |
0 |
4 |
0 |
0.043 |
Average: |
394.9 |
-4.0 |
0.233 |
0 |
4 |
0 |
0.043 |
6 |
12 |
|
A |
45 |
14 |
22382 |
◊ |
B |
x-1,y,z-1 |
1_454 |
45 |
13 |
22410 |
375.9 |
0.3 |
0.563 |
2 |
3 |
0 |
0.000 |
7 |
13 |
|
D |
34 |
11 |
22360 |
◊ |
C |
x,y,z-1 |
1_554 |
34 |
12 |
22354 |
249.1 |
2.1 |
0.732 |
2 |
1 |
0 |
0.000 |
8 |
14 |
|
[GTP]D:704 |
26 |
1 |
586 |
◊ |
D |
x,y,z |
1_555 |
34 |
12 |
22360 |
217.3 |
0.8 |
0.626 |
4 |
0 |
0 |
0.042 |
15 |
|
[GTP]C:703 |
26 |
1 |
584 |
◊ |
C |
x,y,z |
1_555 |
34 |
12 |
22354 |
216.9 |
0.5 |
0.627 |
5 |
0 |
0 |
0.042 |
16 |
|
[GTP]A:705 |
26 |
1 |
581 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
22382 |
213.4 |
0.5 |
0.618 |
4 |
0 |
0 |
0.042 |
17 |
|
[GTP]B:704 |
26 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
22410 |
213.2 |
0.4 |
0.627 |
5 |
0 |
0 |
0.042 |
Average: |
215.2 |
0.5 |
0.625 |
5 |
0 |
0 |
0.042 |
9 |
18 |
|
C |
19 |
9 |
22354 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
13 |
22410 |
212.0 |
0.9 |
0.664 |
2 |
0 |
0 |
0.000 |
10 |
19 |
|
[GTP]B:704 |
21 |
1 |
583 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
22354 |
205.8 |
0.8 |
0.649 |
8 |
0 |
0 |
0.071 |
20 |
|
[GTP]C:703 |
21 |
1 |
584 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
22410 |
205.6 |
1.1 |
0.666 |
8 |
0 |
0 |
0.071 |
21 |
|
[GTP]A:705 |
21 |
1 |
581 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
22360 |
205.1 |
0.9 |
0.647 |
8 |
0 |
0 |
0.071 |
22 |
|
[GTP]D:704 |
22 |
1 |
586 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
22382 |
205.0 |
1.1 |
0.659 |
8 |
0 |
0 |
0.071 |
Average: |
205.4 |
1.0 |
0.655 |
8 |
0 |
0 |
0.071 |
11 |
23 |
|
A |
23 |
6 |
22382 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
7 |
22360 |
189.2 |
1.4 |
0.722 |
0 |
1 |
0 |
0.000 |
12 |
24 |
|
[DTP]C:704 |
22 |
1 |
607 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
22382 |
188.6 |
0.9 |
0.541 |
4 |
0 |
0 |
0.024 |
25 |
|
[DTP]D:705 |
23 |
1 |
602 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
22410 |
188.3 |
0.8 |
0.531 |
4 |
0 |
0 |
0.024 |
26 |
|
[DTP]B:701 |
24 |
1 |
608 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
22360 |
188.2 |
0.9 |
0.533 |
4 |
0 |
0 |
0.024 |
27 |
|
[DTP]A:701 |
22 |
1 |
603 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
22354 |
187.3 |
0.7 |
0.525 |
4 |
0 |
0 |
0.024 |
Average: |
188.1 |
0.8 |
0.533 |
4 |
0 |
0 |
0.024 |
13 |
28 |
|
[DTP]C:704 |
21 |
1 |
607 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
22354 |
182.2 |
2.3 |
0.635 |
7 |
0 |
0 |
0.018 |
29 |
|
[DTP]B:701 |
21 |
1 |
608 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
22410 |
181.1 |
2.3 |
0.627 |
7 |
0 |
0 |
0.018 |
30 |
|
[DTP]A:701 |
21 |
1 |
603 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
22382 |
180.6 |
2.3 |
0.641 |
7 |
0 |
0 |
0.018 |
31 |
|
[DTP]D:705 |
21 |
1 |
602 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
22360 |
174.9 |
2.0 |
0.614 |
8 |
0 |
0 |
0.018 |
Average: |
179.7 |
2.2 |
0.629 |
7 |
0 |
0 |
0.018 |
14 |
32 |
|
D |
9 |
4 |
22360 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
4 |
22382 |
139.1 |
-0.7 |
0.236 |
1 |
1 |
0 |
0.000 |
15 |
33 |
|
[DTP]C:704 |
12 |
1 |
607 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
22360 |
104.9 |
0.9 |
0.561 |
1 |
0 |
0 |
0.000 |
34 |
|
[DTP]D:705 |
13 |
1 |
602 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
22354 |
104.6 |
0.8 |
0.552 |
1 |
0 |
0 |
0.000 |
35 |
|
[DTP]B:701 |
12 |
1 |
608 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
22382 |
103.6 |
1.0 |
0.582 |
1 |
0 |
0 |
0.000 |
36 |
|
[DTP]A:701 |
13 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
22410 |
103.5 |
1.0 |
0.577 |
1 |
0 |
0 |
0.000 |
Average: |
104.1 |
0.9 |
0.568 |
1 |
0 |
0 |
0.000 |
16 |
37 |
|
A |
15 |
5 |
22382 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
22410 |
101.4 |
0.7 |
0.625 |
0 |
0 |
0 |
0.000 |
17 |
38 |
|
[DTP]D:705 |
11 |
1 |
602 |
f |
[GTP]B:704 |
x,y,z |
1_555 |
11 |
1 |
583 |
94.5 |
-2.1 |
0.317 |
0 |
0 |
0 |
0.057 |
39 |
|
[DTP]C:704 |
11 |
1 |
607 |
f |
[GTP]A:705 |
x,y,z |
1_555 |
13 |
1 |
581 |
92.8 |
-2.1 |
0.316 |
0 |
0 |
0 |
0.057 |
40 |
|
[DTP]B:701 |
11 |
1 |
608 |
f |
[GTP]D:704 |
x,y,z |
1_555 |
11 |
1 |
586 |
92.8 |
-2.3 |
0.290 |
0 |
0 |
0 |
0.057 |
41 |
|
[DTP]A:701 |
12 |
1 |
603 |
f |
[GTP]C:703 |
x,y,z |
1_555 |
12 |
1 |
584 |
91.8 |
-2.1 |
0.319 |
0 |
0 |
0 |
0.057 |
Average: |
93.0 |
-2.1 |
0.311 |
0 |
0 |
0 |
0.057 |
18 |
42 |
|
B |
11 |
3 |
22410 |
◊ |
D |
-x+3,y-1/2,-z+2 |
2_847 |
15 |
6 |
22360 |
87.8 |
-0.3 |
0.529 |
0 |
0 |
0 |
0.000 |
19 |
43 |
|
A |
12 |
5 |
22382 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
5 |
22360 |
87.4 |
1.6 |
0.801 |
0 |
0 |
0 |
0.000 |
20 |
44 |
|
B |
9 |
2 |
22410 |
◊ |
C |
-x+3,y-1/2,-z+2 |
2_847 |
11 |
4 |
22354 |
64.6 |
-1.1 |
0.296 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
22382 |
45.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
46 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
22410 |
44.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.115 |
47 |
|
[MG]D:703 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
22360 |
41.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.115 |
48 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
22354 |
37.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
42.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.115 |
22 |
49 |
|
B |
8 |
4 |
22410 |
x |
B |
-x+3,y-1/2,-z+2 |
2_847 |
7 |
4 |
22410 |
41.4 |
0.4 |
0.652 |
0 |
0 |
0 |
0.000 |
23 |
50 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[TTP]C:701 |
x,y,z |
1_555 |
5 |
1 |
590 |
39.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.143 |
51 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
[TTP]A:703 |
x,y,z |
1_555 |
5 |
1 |
592 |
36.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.143 |
52 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
[TTP]B:702 |
x,y,z |
1_555 |
7 |
1 |
596 |
35.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.143 |
53 |
|
[MG]D:703 |
1 |
1 |
98 |
f |
[TTP]D:702 |
x,y,z |
1_555 |
4 |
1 |
585 |
33.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
36.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.143 |
24 |
54 |
|
[GTP]A:705 |
5 |
1 |
581 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22354 |
36.3 |
1.4 |
0.712 |
3 |
0 |
0 |
0.000 |
55 |
|
[GTP]D:704 |
6 |
1 |
586 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22410 |
35.3 |
1.4 |
0.726 |
3 |
0 |
0 |
0.000 |
56 |
|
[GTP]C:703 |
5 |
1 |
584 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22382 |
34.5 |
1.4 |
0.730 |
1 |
0 |
0 |
0.000 |
57 |
|
[GTP]B:704 |
4 |
1 |
583 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22360 |
27.7 |
1.4 |
0.744 |
2 |
0 |
0 |
0.000 |
Average: |
33.4 |
1.4 |
0.728 |
2 |
0 |
0 |
0.000 |
25 |
58 |
|
[GTP]B:704 |
5 |
1 |
583 |
f |
[MG]C:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.124 |
59 |
|
[GTP]A:705 |
5 |
1 |
581 |
f |
[MG]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.124 |
60 |
|
[GTP]C:703 |
5 |
1 |
584 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.124 |
61 |
|
[GTP]D:704 |
4 |
1 |
586 |
f |
[MG]A:706 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
30.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.124 |
26 |
62 |
|
[DTP]D:705 |
3 |
1 |
602 |
f |
[MG]C:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.093 |
63 |
|
[DTP]A:701 |
2 |
1 |
603 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.093 |
64 |
|
[DTP]B:701 |
5 |
1 |
608 |
f |
[MG]A:706 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.093 |
65 |
|
[DTP]C:704 |
4 |
1 |
607 |
f |
[MG]D:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
27.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.093 |
27 |
66 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
22360 |
15.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.017 |
67 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
22354 |
15.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.017 |
68 |
|
[MG]A:706 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
22382 |
14.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
69 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
22410 |
13.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
14.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
28 |
70 |
|
[MG]A:706 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22410 |
14.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
71 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22354 |
14.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
72 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22382 |
14.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
73 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22360 |
9.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
13.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
29 |
74 |
|
[MG]A:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
22354 |
7.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.011 |
75 |
|
[MG]A:706 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
22360 |
5.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.011 |
76 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
22410 |
5.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
77 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
22382 |
5.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
6.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
|