| ## |
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 |
203 |
51 |
20943 |
◊ |
A |
x,y,z |
1_555 |
204 |
50 |
21006 |
1819.3 |
-11.9 |
0.184 |
25 |
0 |
0 |
0.377 |
2 |
|
C |
194 |
49 |
21364 |
◊ |
B |
x,y,z |
1_555 |
192 |
49 |
20697 |
1751.6 |
-10.9 |
0.198 |
21 |
0 |
0 |
0.377 |
| Average: |
1785.5 |
-11.4 |
0.191 |
23 |
0 |
0 |
0.377 |
| 2 |
3 |
|
C |
186 |
56 |
21364 |
◊ |
A |
x,y,z |
1_555 |
182 |
54 |
21006 |
1703.9 |
0.5 |
0.656 |
31 |
7 |
0 |
0.288 |
4 |
|
D |
149 |
42 |
20943 |
◊ |
B |
x,y,z |
1_555 |
157 |
43 |
20697 |
1313.7 |
2.9 |
0.779 |
20 |
8 |
0 |
0.288 |
| Average: |
1508.8 |
1.7 |
0.717 |
26 |
8 |
0 |
0.288 |
| 3 |
5 |
|
C |
63 |
18 |
21364 |
◊ |
D |
x,y,z-1 |
1_554 |
68 |
20 |
20943 |
572.0 |
3.6 |
0.840 |
10 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
57 |
17 |
20697 |
◊ |
C |
x-1,y,z |
1_455 |
57 |
17 |
21364 |
525.2 |
-0.5 |
0.401 |
6 |
2 |
0 |
0.000 |
7 |
|
D |
40 |
14 |
20943 |
◊ |
A |
x-1,y,z |
1_455 |
36 |
11 |
21006 |
314.8 |
1.5 |
0.676 |
2 |
1 |
0 |
0.000 |
| Average: |
420.0 |
0.5 |
0.539 |
4 |
2 |
0 |
0.000 |
| 5 |
8 |
|
A |
48 |
14 |
21006 |
◊ |
D |
-x+3,y-1/2,-z+3 |
2_848 |
52 |
14 |
20943 |
452.3 |
-0.3 |
0.559 |
5 |
1 |
0 |
0.000 |
| 6 |
9 |
|
A |
46 |
18 |
21006 |
◊ |
C |
-x+3,y-1/2,-z+3 |
2_848 |
56 |
19 |
21364 |
446.7 |
-1.1 |
0.493 |
5 |
1 |
0 |
0.000 |
| 7 |
10 |
|
[DTP]C:704 |
30 |
1 |
613 |
f |
C |
x,y,z |
1_555 |
70 |
27 |
21364 |
444.0 |
0.8 |
0.627 |
11 |
0 |
0 |
0.165 |
11 |
|
[DTP]B:701 |
29 |
1 |
604 |
f |
B |
x,y,z |
1_555 |
64 |
25 |
20697 |
425.2 |
-0.4 |
0.525 |
12 |
0 |
0 |
0.165 |
| Average: |
434.6 |
0.2 |
0.576 |
12 |
0 |
0 |
0.165 |
| 8 |
12 |
|
B |
54 |
15 |
20697 |
◊ |
A |
x-1,y,z-1 |
1_454 |
50 |
13 |
21006 |
442.4 |
2.6 |
0.642 |
5 |
4 |
0 |
0.000 |
| 9 |
13 |
|
D |
46 |
14 |
20943 |
◊ |
C |
x,y,z |
1_555 |
45 |
13 |
21364 |
430.4 |
-3.6 |
0.284 |
3 |
5 |
0 |
0.060 |
14 |
|
B |
42 |
12 |
20697 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
21006 |
397.4 |
-2.0 |
0.406 |
2 |
5 |
0 |
0.060 |
| Average: |
413.9 |
-2.8 |
0.345 |
3 |
5 |
0 |
0.060 |
| 10 |
15 |
|
[DTP]D:703 |
30 |
1 |
573 |
f |
D |
x,y,z |
1_555 |
51 |
19 |
20943 |
376.0 |
-0.9 |
0.543 |
12 |
0 |
0 |
0.169 |
16 |
|
[DTP]A:701 |
28 |
1 |
550 |
f |
A |
x,y,z |
1_555 |
49 |
19 |
21006 |
368.3 |
0.9 |
0.599 |
11 |
0 |
0 |
0.169 |
| Average: |
372.2 |
-0.0 |
0.571 |
12 |
0 |
0 |
0.169 |
| 11 |
17 |
|
D |
34 |
8 |
20943 |
x |
D |
-x+2,y-1/2,-z+3 |
2_748 |
32 |
8 |
20943 |
289.7 |
-2.0 |
0.380 |
4 |
0 |
0 |
0.000 |
| 12 |
18 |
|
B |
30 |
9 |
20697 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
33 |
11 |
21364 |
275.6 |
-1.6 |
0.411 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[GTP]B:702 |
26 |
1 |
588 |
f |
C |
x,y,z |
1_555 |
35 |
12 |
21364 |
218.7 |
-0.3 |
0.552 |
5 |
0 |
0 |
0.070 |
20 |
|
[GTP]A:706 |
23 |
1 |
587 |
f |
D |
x,y,z |
1_555 |
29 |
10 |
20943 |
192.8 |
0.1 |
0.587 |
4 |
0 |
0 |
0.070 |
21 |
|
[GTP]A:702 |
23 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
21006 |
188.6 |
-0.0 |
0.536 |
2 |
0 |
0 |
0.070 |
22 |
|
[GTP]C:703 |
22 |
1 |
588 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20697 |
178.8 |
0.5 |
0.550 |
2 |
0 |
0 |
0.070 |
| Average: |
194.7 |
0.0 |
0.556 |
3 |
0 |
0 |
0.070 |
| 14 |
23 |
|
[GTP]C:703 |
22 |
1 |
588 |
◊ |
C |
x,y,z |
1_555 |
25 |
11 |
21364 |
215.8 |
1.2 |
0.673 |
7 |
0 |
0 |
0.065 |
24 |
|
[GTP]A:702 |
22 |
1 |
589 |
◊ |
D |
x,y,z |
1_555 |
25 |
11 |
20943 |
214.0 |
1.1 |
0.697 |
6 |
0 |
0 |
0.065 |
25 |
|
[GTP]A:706 |
21 |
1 |
587 |
◊ |
A |
x,y,z |
1_555 |
24 |
11 |
21006 |
213.3 |
1.0 |
0.660 |
7 |
0 |
0 |
0.065 |
26 |
|
[GTP]B:702 |
22 |
1 |
588 |
◊ |
B |
x,y,z |
1_555 |
26 |
11 |
20697 |
206.8 |
1.2 |
0.666 |
7 |
0 |
0 |
0.065 |
| Average: |
212.4 |
1.1 |
0.674 |
7 |
0 |
0 |
0.065 |
| 15 |
27 |
|
[DTP]A:703 |
23 |
1 |
607 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
21364 |
193.0 |
0.9 |
0.532 |
3 |
0 |
0 |
0.005 |
28 |
|
[DTP]B:703 |
24 |
1 |
597 |
f |
D |
x,y,z |
1_555 |
28 |
11 |
20943 |
180.2 |
1.9 |
0.612 |
1 |
0 |
0 |
0.005 |
29 |
|
[DTP]C:701 |
20 |
1 |
600 |
f |
A |
x,y,z |
1_555 |
29 |
10 |
21006 |
174.0 |
0.6 |
0.495 |
1 |
0 |
0 |
0.005 |
30 |
|
[DTP]D:702 |
20 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
20697 |
173.1 |
1.0 |
0.539 |
1 |
0 |
0 |
0.005 |
| Average: |
180.1 |
1.1 |
0.544 |
2 |
0 |
0 |
0.005 |
| 16 |
31 |
|
[DTP]D:702 |
20 |
1 |
603 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
20943 |
183.5 |
1.6 |
0.632 |
6 |
0 |
0 |
0.043 |
32 |
|
[DTP]A:703 |
21 |
1 |
607 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
21006 |
179.1 |
1.7 |
0.620 |
6 |
0 |
0 |
0.043 |
33 |
|
[DTP]B:703 |
21 |
1 |
597 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
20697 |
178.6 |
1.8 |
0.638 |
6 |
0 |
0 |
0.043 |
34 |
|
[DTP]C:701 |
21 |
1 |
600 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
21364 |
176.1 |
1.5 |
0.621 |
6 |
0 |
0 |
0.043 |
| Average: |
179.3 |
1.7 |
0.628 |
6 |
0 |
0 |
0.043 |
| 17 |
35 |
|
[DTP]B:703 |
15 |
1 |
597 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
21006 |
105.8 |
1.0 |
0.552 |
1 |
0 |
0 |
0.000 |
36 |
|
[DTP]C:701 |
15 |
1 |
600 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
20943 |
103.6 |
0.8 |
0.549 |
1 |
0 |
0 |
0.000 |
37 |
|
[DTP]A:703 |
13 |
1 |
607 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
20697 |
103.2 |
0.8 |
0.541 |
1 |
0 |
0 |
0.000 |
38 |
|
[DTP]D:702 |
11 |
1 |
603 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
21364 |
102.4 |
0.8 |
0.554 |
1 |
0 |
0 |
0.000 |
| Average: |
103.8 |
0.8 |
0.549 |
1 |
0 |
0 |
0.000 |
| 18 |
39 |
|
[DTP]D:702 |
12 |
1 |
603 |
f |
[GTP]C:703 |
x,y,z |
1_555 |
13 |
1 |
588 |
98.7 |
-2.8 |
0.281 |
0 |
0 |
0 |
0.093 |
40 |
|
[DTP]C:701 |
12 |
1 |
600 |
f |
[GTP]A:702 |
x,y,z |
1_555 |
13 |
1 |
589 |
97.5 |
-2.6 |
0.301 |
0 |
0 |
0 |
0.093 |
41 |
|
[DTP]B:703 |
14 |
1 |
597 |
f |
[GTP]A:706 |
x,y,z |
1_555 |
11 |
1 |
587 |
96.0 |
-2.6 |
0.275 |
0 |
0 |
0 |
0.093 |
42 |
|
[DTP]A:703 |
12 |
1 |
607 |
f |
[GTP]B:702 |
x,y,z |
1_555 |
12 |
1 |
588 |
92.4 |
-2.0 |
0.307 |
0 |
0 |
0 |
0.093 |
| Average: |
96.2 |
-2.5 |
0.291 |
0 |
0 |
0 |
0.093 |
| 19 |
43 |
|
B |
12 |
4 |
20697 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
5 |
21006 |
81.0 |
1.3 |
0.764 |
0 |
1 |
0 |
0.000 |
| 20 |
44 |
|
C |
8 |
4 |
21364 |
◊ |
A |
x-1,y,z-1 |
1_454 |
6 |
4 |
21006 |
51.9 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
| 21 |
45 |
|
[GTP]C:703 |
5 |
1 |
588 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20943 |
35.5 |
1.6 |
0.715 |
2 |
0 |
0 |
0.000 |
46 |
|
[GTP]A:702 |
5 |
1 |
589 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21364 |
35.3 |
1.5 |
0.719 |
2 |
0 |
0 |
0.000 |
47 |
|
[GTP]A:706 |
4 |
1 |
587 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20697 |
34.4 |
1.6 |
0.711 |
1 |
0 |
0 |
0.000 |
48 |
|
[GTP]B:702 |
5 |
1 |
588 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
21006 |
33.4 |
1.6 |
0.720 |
2 |
0 |
0 |
0.000 |
| Average: |
34.6 |
1.6 |
0.716 |
2 |
0 |
0 |
0.000 |
| 22 |
49 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
[GTP]A:702 |
x,y,z |
1_555 |
6 |
1 |
589 |
32.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.190 |
50 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[GTP]C:703 |
x,y,z |
1_555 |
5 |
1 |
588 |
32.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.190 |
51 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
[GTP]A:706 |
x,y,z |
1_555 |
5 |
1 |
587 |
31.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.190 |
52 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
[GTP]B:702 |
x,y,z |
1_555 |
5 |
1 |
588 |
30.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.190 |
| Average: |
31.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.190 |
| 23 |
53 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[DTP]D:702 |
x,y,z |
1_555 |
4 |
1 |
603 |
28.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.141 |
54 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
[DTP]B:703 |
x,y,z |
1_555 |
4 |
1 |
597 |
27.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.141 |
55 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
[DTP]C:701 |
x,y,z |
1_555 |
3 |
1 |
600 |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.141 |
56 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
[DTP]A:703 |
x,y,z |
1_555 |
3 |
1 |
607 |
26.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.141 |
| Average: |
27.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.141 |
| 24 |
57 |
|
B |
3 |
1 |
20697 |
◊ |
D |
-x+2,y-1/2,-z+3 |
2_748 |
1 |
1 |
20943 |
24.3 |
-0.4 |
0.202 |
0 |
0 |
0 |
0.000 |
| 25 |
58 |
|
D |
2 |
1 |
20943 |
◊ |
C |
-x+2,y-1/2,-z+3 |
2_748 |
2 |
1 |
21364 |
23.0 |
-0.5 |
0.252 |
0 |
0 |
0 |
0.000 |
| 26 |
59 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
21006 |
15.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.023 |
60 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
20943 |
15.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.023 |
61 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
21364 |
14.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.023 |
62 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20697 |
14.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
14.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| 27 |
63 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20943 |
12.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.016 |
64 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
21006 |
12.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.016 |
65 |
|
[MG]D:701 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21364 |
12.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.016 |
66 |
|
[MG]A:705 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20697 |
11.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| Average: |
12.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.016 |
| 28 |
67 |
|
A |
3 |
2 |
21006 |
x |
A |
-x+3,y-1/2,-z+3 |
2_848 |
2 |
1 |
21006 |
9.4 |
0.2 |
0.647 |
0 |
0 |
0 |
0.000 |
| 29 |
68 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
21364 |
5.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.018 |
69 |
|
[MG]D:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
21006 |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.018 |
70 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20697 |
2.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.018 |
71 |
|
[MG]A:705 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
20943 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
3.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 30 |
72 |
|
C |
2 |
1 |
21364 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
20697 |
3.2 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
|