| ## |
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 |
547 |
145 |
28877 |
◊ |
C |
x,y,z |
1_555 |
553 |
143 |
28794 |
5104.6 |
-30.9 |
0.069 |
82 |
44 |
0 |
0.616 |
2 |
|
H |
542 |
145 |
28853 |
◊ |
G |
x,y,z |
1_555 |
552 |
145 |
28552 |
5064.7 |
-30.8 |
0.102 |
85 |
50 |
0 |
0.616 |
3 |
|
F |
549 |
145 |
28711 |
◊ |
E |
x,y,z |
1_555 |
568 |
146 |
28747 |
5062.0 |
-31.8 |
0.070 |
88 |
46 |
0 |
0.616 |
4 |
|
B |
545 |
145 |
28613 |
◊ |
A |
x,y,z |
1_555 |
541 |
144 |
28629 |
5041.2 |
-30.1 |
0.104 |
90 |
48 |
0 |
0.616 |
| Average: |
5068.1 |
-30.9 |
0.086 |
86 |
47 |
0 |
0.616 |
| 2 |
5 |
|
F |
56 |
17 |
28711 |
◊ |
A |
x,y,z |
1_555 |
54 |
18 |
28629 |
537.9 |
-0.9 |
0.563 |
11 |
10 |
0 |
0.000 |
6 |
|
E |
52 |
17 |
28747 |
◊ |
D |
x,y,z |
1_555 |
51 |
17 |
28877 |
537.2 |
-1.2 |
0.516 |
10 |
10 |
0 |
0.000 |
7 |
|
H |
53 |
17 |
28853 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
28613 |
529.6 |
-1.1 |
0.550 |
10 |
9 |
0 |
0.000 |
8 |
|
G |
50 |
16 |
28552 |
◊ |
C |
x,y,z |
1_555 |
56 |
17 |
28794 |
522.9 |
-1.3 |
0.523 |
10 |
10 |
0 |
0.000 |
| Average: |
531.9 |
-1.1 |
0.538 |
10 |
10 |
0 |
0.000 |
| 3 |
9 |
|
A |
56 |
21 |
28629 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
60 |
19 |
28552 |
534.4 |
3.2 |
0.867 |
11 |
16 |
0 |
0.000 |
10 |
|
E |
55 |
17 |
28747 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
55 |
16 |
28613 |
519.1 |
3.4 |
0.864 |
11 |
17 |
0 |
0.000 |
| Average: |
526.8 |
3.3 |
0.866 |
11 |
17 |
0 |
0.000 |
| 4 |
11 |
|
C |
49 |
16 |
28794 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
41 |
10 |
28877 |
405.2 |
2.4 |
0.783 |
4 |
4 |
0 |
0.000 |
| 5 |
12 |
|
[TPP]G:901 |
26 |
1 |
596 |
f |
G |
x,y,z |
1_555 |
47 |
21 |
28552 |
286.6 |
-8.9 |
0.305 |
9 |
0 |
0 |
0.220 |
13 |
|
[TPP]H:902 |
26 |
1 |
604 |
f |
H |
x,y,z |
1_555 |
47 |
21 |
28853 |
286.2 |
-10.3 |
0.161 |
9 |
0 |
0 |
0.220 |
14 |
|
[TPP]A:900 |
26 |
1 |
603 |
f |
A |
x,y,z |
1_555 |
47 |
20 |
28629 |
286.1 |
-8.9 |
0.292 |
8 |
0 |
0 |
0.220 |
15 |
|
[TPP]B:903 |
25 |
1 |
600 |
f |
B |
x,y,z |
1_555 |
47 |
21 |
28613 |
285.5 |
-8.6 |
0.296 |
9 |
0 |
0 |
0.220 |
16 |
|
[TPP]F:900 |
26 |
1 |
605 |
f |
F |
x,y,z |
1_555 |
44 |
21 |
28711 |
284.6 |
-9.3 |
0.225 |
8 |
0 |
0 |
0.220 |
17 |
|
[TPP]E:902 |
24 |
1 |
599 |
f |
E |
x,y,z |
1_555 |
45 |
20 |
28747 |
281.4 |
-8.7 |
0.285 |
7 |
0 |
0 |
0.220 |
18 |
|
[TPP]C:900 |
26 |
1 |
598 |
f |
C |
x,y,z |
1_555 |
47 |
22 |
28794 |
280.2 |
-8.6 |
0.241 |
7 |
0 |
0 |
0.220 |
19 |
|
[TPP]D:903 |
26 |
1 |
597 |
f |
D |
x,y,z |
1_555 |
47 |
21 |
28877 |
273.3 |
-8.0 |
0.307 |
7 |
0 |
0 |
0.220 |
| Average: |
283.0 |
-8.9 |
0.264 |
8 |
0 |
0 |
0.220 |
| 6 |
20 |
|
F |
25 |
11 |
28711 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
28613 |
195.1 |
1.2 |
0.744 |
2 |
1 |
0 |
0.000 |
21 |
|
H |
18 |
7 |
28853 |
◊ |
C |
x,y,z |
1_555 |
21 |
10 |
28794 |
193.1 |
0.6 |
0.661 |
1 |
1 |
0 |
0.000 |
22 |
|
H |
24 |
9 |
28853 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
28629 |
185.6 |
-0.3 |
0.562 |
1 |
1 |
0 |
0.000 |
23 |
|
G |
26 |
10 |
28552 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
28877 |
178.5 |
-0.6 |
0.525 |
0 |
0 |
0 |
0.000 |
24 |
|
G |
20 |
7 |
28552 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
28613 |
175.2 |
-0.5 |
0.548 |
1 |
1 |
0 |
0.000 |
25 |
|
E |
22 |
9 |
28747 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
28794 |
170.9 |
-0.5 |
0.522 |
1 |
0 |
0 |
0.000 |
26 |
|
F |
21 |
8 |
28711 |
◊ |
D |
x,y,z |
1_555 |
23 |
10 |
28877 |
170.6 |
-0.6 |
0.518 |
0 |
0 |
0 |
0.000 |
27 |
|
E |
17 |
7 |
28747 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
28629 |
161.8 |
-0.1 |
0.605 |
1 |
0 |
0 |
0.000 |
| Average: |
178.8 |
-0.1 |
0.586 |
1 |
1 |
0 |
0.000 |
| 7 |
28 |
|
F |
24 |
8 |
28711 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
25 |
8 |
28613 |
192.9 |
-0.0 |
0.559 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
20 |
6 |
28629 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
22 |
7 |
28853 |
171.1 |
-0.2 |
0.557 |
2 |
0 |
0 |
0.000 |
| Average: |
182.0 |
-0.1 |
0.558 |
2 |
0 |
0 |
0.000 |
| 8 |
30 |
|
[TPP]A:900 |
19 |
1 |
603 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
28613 |
167.1 |
1.7 |
0.466 |
0 |
0 |
0 |
0.000 |
31 |
|
[TPP]G:901 |
19 |
1 |
596 |
◊ |
H |
x,y,z |
1_555 |
24 |
9 |
28853 |
166.4 |
1.7 |
0.472 |
0 |
0 |
0 |
0.000 |
32 |
|
[TPP]H:902 |
19 |
1 |
604 |
◊ |
G |
x,y,z |
1_555 |
24 |
9 |
28552 |
165.9 |
1.7 |
0.504 |
0 |
0 |
0 |
0.000 |
33 |
|
[TPP]F:900 |
18 |
1 |
605 |
◊ |
E |
x,y,z |
1_555 |
25 |
9 |
28747 |
165.2 |
1.9 |
0.563 |
0 |
0 |
0 |
0.000 |
34 |
|
[TPP]B:903 |
18 |
1 |
600 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
28629 |
164.5 |
1.7 |
0.486 |
0 |
0 |
0 |
0.000 |
35 |
|
[TPP]E:902 |
19 |
1 |
599 |
◊ |
F |
x,y,z |
1_555 |
24 |
9 |
28711 |
163.9 |
1.6 |
0.480 |
0 |
0 |
0 |
0.000 |
36 |
|
[TPP]D:903 |
19 |
1 |
597 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
28794 |
160.8 |
1.5 |
0.472 |
0 |
0 |
0 |
0.000 |
37 |
|
[TPP]C:900 |
19 |
1 |
598 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
28877 |
160.2 |
1.6 |
0.495 |
0 |
0 |
0 |
0.000 |
| Average: |
164.3 |
1.7 |
0.492 |
0 |
0 |
0 |
0.000 |
| 9 |
38 |
|
[SIN]H:901 |
8 |
1 |
254 |
◊ |
H |
x,y,z |
1_555 |
17 |
8 |
28853 |
109.9 |
2.5 |
0.319 |
3 |
0 |
0 |
0.000 |
| 10 |
39 |
|
[LMR]B:901 |
8 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
28613 |
105.8 |
-0.7 |
0.705 |
4 |
0 |
0 |
0.018 |
| 11 |
40 |
|
[SIN]G:903 |
8 |
1 |
252 |
◊ |
G |
x,y,z |
1_555 |
15 |
7 |
28552 |
102.3 |
1.9 |
0.249 |
4 |
0 |
0 |
0.000 |
| 12 |
41 |
|
[LMR]B:902 |
8 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
15 |
9 |
28629 |
97.5 |
0.8 |
0.813 |
3 |
0 |
0 |
0.004 |
| 13 |
42 |
|
[SIN]E:904 |
7 |
1 |
253 |
◊ |
E |
x,y,z |
1_555 |
15 |
8 |
28747 |
97.1 |
3.0 |
0.540 |
3 |
0 |
0 |
0.000 |
| 14 |
43 |
|
G |
12 |
6 |
28552 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
4 |
28613 |
94.2 |
-2.1 |
0.135 |
0 |
0 |
0 |
0.000 |
| 15 |
44 |
|
[LMR]B:902 |
8 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
28613 |
93.0 |
-2.3 |
0.239 |
5 |
0 |
0 |
0.033 |
| 16 |
45 |
|
[MLA]D:902 |
7 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
28877 |
87.4 |
-2.8 |
0.677 |
4 |
0 |
0 |
0.034 |
| 17 |
46 |
|
[MLA]D:901 |
7 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
28794 |
84.3 |
-2.7 |
0.625 |
3 |
0 |
0 |
0.030 |
| 18 |
47 |
|
[MLA]E:901 |
7 |
1 |
226 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
28711 |
80.8 |
-2.8 |
0.734 |
2 |
0 |
0 |
0.028 |
| 19 |
48 |
|
[MLA]E:901 |
7 |
1 |
226 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
28747 |
80.7 |
-0.8 |
0.820 |
2 |
0 |
0 |
0.013 |
| 20 |
49 |
|
[SIN]E:904 |
7 |
1 |
253 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
28711 |
80.7 |
1.3 |
0.267 |
2 |
0 |
0 |
0.000 |
| 21 |
50 |
|
[LMR]B:901 |
8 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
28629 |
80.6 |
-0.6 |
0.670 |
3 |
0 |
0 |
0.014 |
| 22 |
51 |
|
[SIN]G:903 |
7 |
1 |
252 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
28853 |
75.4 |
1.2 |
0.237 |
2 |
0 |
0 |
0.000 |
| 23 |
52 |
|
[SIN]H:901 |
7 |
1 |
254 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
28552 |
74.4 |
2.1 |
0.366 |
2 |
0 |
0 |
0.000 |
| 24 |
53 |
|
C |
12 |
2 |
28794 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
5 |
28794 |
74.3 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
| 25 |
54 |
|
[MLA]D:901 |
6 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
28877 |
66.7 |
-1.2 |
0.585 |
2 |
0 |
0 |
0.015 |
| 26 |
55 |
|
[MLA]D:902 |
7 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
28794 |
62.1 |
-1.0 |
0.480 |
1 |
0 |
0 |
0.011 |
| 27 |
56 |
|
D |
8 |
4 |
28877 |
◊ |
G |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
4 |
28552 |
57.7 |
1.5 |
0.859 |
2 |
2 |
0 |
0.000 |
| 28 |
57 |
|
[MLA]D:901 |
6 |
1 |
222 |
f |
[TPP]C:900 |
x,y,z |
1_555 |
7 |
1 |
598 |
47.5 |
-0.6 |
0.803 |
1 |
0 |
0 |
0.008 |
| 29 |
58 |
|
[MLA]D:902 |
7 |
1 |
219 |
f |
[TPP]D:903 |
x,y,z |
1_555 |
6 |
1 |
597 |
46.5 |
-0.2 |
0.803 |
1 |
0 |
0 |
0.005 |
| 30 |
59 |
|
[SIN]E:904 |
3 |
1 |
253 |
f |
[TPP]F:900 |
x,y,z |
1_555 |
6 |
1 |
605 |
36.6 |
0.2 |
0.268 |
0 |
0 |
0 |
0.000 |
| 31 |
60 |
|
[MLA]E:901 |
4 |
1 |
226 |
◊ |
[TPP]E:902 |
x,y,z |
1_555 |
6 |
1 |
599 |
36.5 |
-1.0 |
0.773 |
0 |
0 |
0 |
0.008 |
| 32 |
61 |
|
[LMR]B:902 |
3 |
1 |
261 |
f |
[TPP]B:903 |
x,y,z |
1_555 |
7 |
1 |
600 |
35.9 |
-1.2 |
0.508 |
0 |
0 |
0 |
0.009 |
| 33 |
62 |
|
[CA]G:902 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
12 |
8 |
28552 |
32.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.122 |
63 |
|
[CA]C:901 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
28794 |
32.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.122 |
64 |
|
[CA]B:904 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
28613 |
31.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.122 |
65 |
|
[CA]A:901 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
28629 |
31.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.122 |
66 |
|
[CA]E:903 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
11 |
8 |
28747 |
31.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.122 |
67 |
|
[CA]H:903 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
9 |
7 |
28853 |
31.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.122 |
68 |
|
[CA]D:904 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
28877 |
31.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.122 |
69 |
|
[CA]F:901 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
7 |
28711 |
31.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
31.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.122 |
| 34 |
70 |
|
[SIN]G:903 |
3 |
1 |
252 |
f |
[TPP]H:902 |
x,y,z |
1_555 |
6 |
1 |
604 |
32.2 |
0.1 |
0.282 |
0 |
0 |
0 |
0.000 |
| 35 |
71 |
|
[SIN]H:901 |
3 |
1 |
254 |
f |
[TPP]G:901 |
x,y,z |
1_555 |
6 |
1 |
596 |
30.1 |
0.7 |
0.434 |
0 |
0 |
0 |
0.000 |
| 36 |
72 |
|
H |
2 |
1 |
28853 |
x |
H |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
28853 |
29.7 |
-0.1 |
0.216 |
0 |
1 |
0 |
0.000 |
| 37 |
73 |
|
[LMR]B:901 |
3 |
1 |
262 |
◊ |
[TPP]A:900 |
x,y,z |
1_555 |
6 |
1 |
603 |
28.6 |
-1.2 |
0.518 |
0 |
0 |
0 |
0.009 |
| 38 |
74 |
|
[CA]F:901 |
1 |
1 |
85 |
f |
[TPP]F:900 |
x,y,z |
1_555 |
5 |
1 |
605 |
26.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.099 |
75 |
|
[CA]H:903 |
1 |
1 |
85 |
f |
[TPP]H:902 |
x,y,z |
1_555 |
5 |
1 |
604 |
26.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.099 |
76 |
|
[CA]A:901 |
1 |
1 |
85 |
f |
[TPP]A:900 |
x,y,z |
1_555 |
4 |
1 |
603 |
26.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.099 |
77 |
|
[CA]B:904 |
1 |
1 |
85 |
f |
[TPP]B:903 |
x,y,z |
1_555 |
4 |
1 |
600 |
26.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.099 |
78 |
|
[CA]E:903 |
1 |
1 |
85 |
f |
[TPP]E:902 |
x,y,z |
1_555 |
4 |
1 |
599 |
26.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.099 |
79 |
|
[CA]G:902 |
1 |
1 |
85 |
f |
[TPP]G:901 |
x,y,z |
1_555 |
5 |
1 |
596 |
26.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.099 |
80 |
|
[CA]C:901 |
1 |
1 |
85 |
f |
[TPP]C:900 |
x,y,z |
1_555 |
5 |
1 |
598 |
25.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.099 |
81 |
|
[CA]D:904 |
1 |
1 |
85 |
f |
[TPP]D:903 |
x,y,z |
1_555 |
5 |
1 |
597 |
25.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.099 |
| Average: |
26.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.099 |
| 39 |
82 |
|
D |
2 |
1 |
28877 |
x |
D |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
2 |
28877 |
6.3 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
|