| ## |
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 |
|
H |
364 |
94 |
20199 |
◊ |
A |
x,y,z |
1_555 |
363 |
96 |
20528 |
3584.4 |
-37.9 |
0.010 |
47 |
10 |
0 |
0.202 |
2 |
|
M |
364 |
94 |
20198 |
◊ |
D |
x,y,z |
1_555 |
361 |
96 |
20343 |
3568.7 |
-38.9 |
0.007 |
47 |
9 |
0 |
0.202 |
| Average: |
3576.6 |
-38.4 |
0.009 |
47 |
10 |
0 |
0.202 |
| 2 |
3 |
|
A |
74 |
24 |
20528 |
◊ |
H |
x,y-1,z |
1_545 |
71 |
23 |
20199 |
648.2 |
-2.0 |
0.554 |
9 |
12 |
0 |
0.000 |
4 |
|
D |
77 |
23 |
20343 |
◊ |
M |
x,y-1,z |
1_545 |
72 |
23 |
20198 |
635.7 |
-1.3 |
0.604 |
7 |
9 |
0 |
0.000 |
| Average: |
641.9 |
-1.6 |
0.579 |
8 |
11 |
0 |
0.000 |
| 3 |
5 |
|
D |
59 |
17 |
20343 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
20528 |
483.7 |
1.4 |
0.775 |
5 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[4LU]H:503 |
34 |
1 |
687 |
f |
H |
x,y,z |
1_555 |
84 |
32 |
20199 |
444.7 |
-7.1 |
0.500 |
8 |
0 |
0 |
0.069 |
7 |
|
[4LU]M:504 |
34 |
1 |
685 |
f |
M |
x,y,z |
1_555 |
81 |
33 |
20198 |
442.6 |
-6.5 |
0.512 |
8 |
0 |
0 |
0.069 |
8 |
|
[4LU]A:503 |
34 |
1 |
689 |
f |
A |
x,y,z |
1_555 |
80 |
31 |
20528 |
441.4 |
-6.7 |
0.511 |
8 |
0 |
0 |
0.069 |
9 |
|
[4LU]D:503 |
35 |
1 |
680 |
f |
D |
x,y,z |
1_555 |
84 |
31 |
20343 |
438.3 |
-6.6 |
0.528 |
8 |
0 |
0 |
0.069 |
| Average: |
441.7 |
-6.7 |
0.513 |
8 |
0 |
0 |
0.069 |
| 5 |
10 |
|
A |
33 |
8 |
20528 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
11 |
20343 |
311.0 |
1.5 |
0.706 |
6 |
2 |
0 |
0.000 |
| 6 |
11 |
|
D |
32 |
9 |
20343 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
37 |
10 |
20199 |
307.5 |
-2.4 |
0.390 |
3 |
0 |
0 |
0.000 |
12 |
|
A |
35 |
10 |
20528 |
◊ |
M |
-x-1,y-1/2,-z |
2_445 |
34 |
10 |
20198 |
303.4 |
-2.1 |
0.412 |
4 |
1 |
0 |
0.000 |
| Average: |
305.5 |
-2.2 |
0.401 |
4 |
1 |
0 |
0.000 |
| 7 |
13 |
|
H |
38 |
9 |
20199 |
◊ |
D |
x,y,z |
1_555 |
31 |
8 |
20343 |
293.2 |
-1.0 |
0.498 |
2 |
0 |
0 |
0.000 |
14 |
|
M |
37 |
11 |
20198 |
◊ |
A |
x,y,z |
1_555 |
31 |
8 |
20528 |
288.0 |
-1.8 |
0.418 |
2 |
0 |
0 |
0.000 |
| Average: |
290.6 |
-1.4 |
0.458 |
2 |
0 |
0 |
0.000 |
| 8 |
15 |
|
M |
29 |
8 |
20198 |
◊ |
H |
x,y,z |
1_555 |
28 |
8 |
20199 |
243.6 |
2.4 |
0.860 |
2 |
0 |
0 |
0.000 |
| 9 |
16 |
|
A |
12 |
3 |
20528 |
◊ |
M |
x-1,y,z |
1_455 |
8 |
3 |
20198 |
97.7 |
-1.8 |
0.089 |
0 |
1 |
0 |
0.000 |
17 |
|
H |
5 |
2 |
20199 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
20343 |
45.2 |
-1.3 |
0.207 |
0 |
0 |
0 |
0.000 |
| Average: |
71.4 |
-1.5 |
0.148 |
0 |
1 |
0 |
0.000 |
| 10 |
18 |
|
[IMD]H:504 |
5 |
1 |
197 |
f |
H |
x,y,z |
1_555 |
22 |
10 |
20199 |
90.5 |
2.6 |
0.389 |
1 |
0 |
0 |
0.000 |
19 |
|
[IMD]D:504 |
5 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
22 |
10 |
20343 |
87.5 |
2.6 |
0.404 |
1 |
0 |
0 |
0.000 |
| Average: |
89.0 |
2.6 |
0.397 |
1 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[IMD]M:501 |
5 |
1 |
198 |
f |
M |
x,y,z |
1_555 |
24 |
10 |
20198 |
88.8 |
2.6 |
0.367 |
1 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[IMD]A:504 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
20528 |
87.9 |
2.7 |
0.404 |
2 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[K]A:502 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
20528 |
82.0 |
-70.3 |
0.000 |
0 |
0 |
0 |
0.461 |
23 |
|
[K]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
20343 |
81.8 |
-70.1 |
0.000 |
0 |
0 |
0 |
0.461 |
24 |
|
[K]H:502 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
13 |
9 |
20199 |
81.5 |
-69.8 |
0.000 |
0 |
0 |
0 |
0.461 |
25 |
|
[K]M:503 |
1 |
1 |
216 |
f |
M |
x,y,z |
1_555 |
13 |
10 |
20198 |
81.3 |
-69.8 |
0.000 |
0 |
0 |
0 |
0.461 |
| Average: |
81.7 |
-70.0 |
0.000 |
0 |
0 |
0 |
0.461 |
| 14 |
26 |
|
[IMD]M:501 |
5 |
1 |
198 |
cf |
[4LU]M:504 |
x,y,z |
1_555 |
17 |
1 |
685 |
62.3 |
3.3 |
0.255 |
0 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[IMD]A:504 |
5 |
1 |
198 |
f |
[4LU]A:503 |
x,y,z |
1_555 |
17 |
1 |
689 |
61.4 |
3.1 |
0.255 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[IMD]H:504 |
5 |
1 |
197 |
cf |
[4LU]H:503 |
x,y,z |
1_555 |
17 |
1 |
687 |
61.3 |
3.2 |
0.243 |
0 |
0 |
0 |
0.000 |
29 |
|
[IMD]D:504 |
5 |
1 |
196 |
f |
[4LU]D:503 |
x,y,z |
1_555 |
16 |
1 |
680 |
60.5 |
3.0 |
0.255 |
0 |
0 |
0 |
0.000 |
| Average: |
60.9 |
3.1 |
0.249 |
0 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[4LU]H:503 |
8 |
1 |
687 |
f |
[K]H:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
52.2 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.181 |
31 |
|
[4LU]D:503 |
8 |
1 |
680 |
f |
[K]D:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
51.8 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.181 |
32 |
|
[4LU]A:503 |
8 |
1 |
689 |
f |
[K]A:502 |
x,y,z |
1_555 |
1 |
1 |
216 |
51.6 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.181 |
33 |
|
[4LU]M:504 |
8 |
1 |
685 |
f |
[K]M:503 |
x,y,z |
1_555 |
1 |
1 |
216 |
51.5 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.181 |
| Average: |
51.8 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.181 |
| 18 |
34 |
|
[MN]D:501 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
12 |
10 |
20343 |
40.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
35 |
|
[MN]M:502 |
1 |
1 |
123 |
f |
M |
x,y,z |
1_555 |
12 |
10 |
20198 |
40.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
36 |
|
[MN]A:501 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
20528 |
40.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
37 |
|
[MN]H:501 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
10 |
9 |
20199 |
39.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
40.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
| 19 |
38 |
|
[4LU]M:504 |
3 |
1 |
685 |
f |
[MN]M:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
|
[4LU]H:503 |
3 |
1 |
687 |
f |
[MN]H:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
40 |
|
[4LU]A:503 |
3 |
1 |
689 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
41 |
|
[4LU]D:503 |
3 |
1 |
680 |
f |
[MN]D:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
26.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 20 |
42 |
|
[K]H:502 |
1 |
1 |
216 |
f |
[MN]H:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.2 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.043 |
| 21 |
43 |
|
[K]D:502 |
1 |
1 |
216 |
f |
[MN]D:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
25.1 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.043 |
| 22 |
44 |
|
[K]M:503 |
1 |
1 |
216 |
f |
[MN]M:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.043 |
| 23 |
45 |
|
[K]A:502 |
1 |
1 |
216 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
24.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.043 |
| 24 |
46 |
|
M |
2 |
1 |
20198 |
x |
M |
x,y-1,z |
1_545 |
1 |
1 |
20198 |
9.1 |
0.2 |
0.788 |
0 |
0 |
0 |
0.000 |
47 |
|
D |
1 |
1 |
20343 |
x |
D |
x,y-1,z |
1_545 |
1 |
1 |
20343 |
5.3 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
48 |
|
A |
1 |
1 |
20528 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
20528 |
1.9 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
| Average: |
5.4 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
|