| ## |
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 |
|
B |
166 |
36 |
12400 |
◊ |
A |
x,y,z |
1_555 |
160 |
33 |
12630 |
1638.0 |
-15.4 |
0.203 |
26 |
8 |
0 |
1.000 |
2 |
|
D |
163 |
34 |
12707 |
◊ |
C |
x,y,z |
1_555 |
164 |
35 |
12679 |
1627.8 |
-16.0 |
0.182 |
28 |
4 |
0 |
1.000 |
3 |
|
F |
165 |
36 |
12633 |
◊ |
E |
x,y,z |
1_555 |
161 |
34 |
12328 |
1608.4 |
-16.8 |
0.176 |
27 |
8 |
0 |
1.000 |
4 |
|
H |
151 |
33 |
12146 |
◊ |
G |
x,y,z |
1_555 |
151 |
34 |
12104 |
1551.6 |
-18.7 |
0.134 |
25 |
6 |
0 |
1.000 |
| Average: |
1606.4 |
-16.7 |
0.174 |
27 |
7 |
0 |
1.000 |
| 2 |
5 |
|
E |
58 |
19 |
12328 |
◊ |
C |
x,y,z |
1_555 |
45 |
10 |
12679 |
453.2 |
1.0 |
0.813 |
9 |
3 |
0 |
0.000 |
6 |
|
D |
45 |
10 |
12707 |
◊ |
B |
x,y,z |
1_555 |
59 |
19 |
12400 |
448.3 |
1.1 |
0.791 |
8 |
3 |
0 |
0.000 |
7 |
|
C |
52 |
17 |
12679 |
◊ |
A |
x,y,z |
1_555 |
43 |
10 |
12630 |
440.9 |
-0.1 |
0.732 |
9 |
3 |
0 |
0.000 |
8 |
|
F |
43 |
10 |
12633 |
◊ |
D |
x,y,z |
1_555 |
54 |
17 |
12707 |
425.0 |
0.4 |
0.754 |
9 |
1 |
0 |
0.000 |
9 |
|
G |
38 |
8 |
12104 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
12630 |
350.5 |
-0.3 |
0.725 |
6 |
3 |
0 |
0.000 |
10 |
|
H |
40 |
13 |
12146 |
◊ |
B |
x,y,z |
1_555 |
38 |
8 |
12400 |
348.3 |
-0.3 |
0.672 |
6 |
3 |
0 |
0.000 |
11 |
|
G |
42 |
14 |
12104 |
◊ |
E |
x,y,z |
1_555 |
38 |
8 |
12328 |
335.9 |
-0.8 |
0.703 |
5 |
1 |
0 |
0.000 |
12 |
|
H |
37 |
8 |
12146 |
◊ |
F |
x,y,z |
1_555 |
38 |
13 |
12633 |
332.9 |
-0.1 |
0.693 |
6 |
2 |
0 |
0.000 |
| Average: |
391.9 |
0.1 |
0.735 |
7 |
2 |
0 |
0.000 |
| 3 |
13 |
|
A |
45 |
16 |
12630 |
◊ |
E |
x-1,y,z |
1_455 |
43 |
12 |
12328 |
416.3 |
-1.5 |
0.607 |
3 |
1 |
0 |
0.000 |
| 4 |
14 |
|
B |
34 |
12 |
12400 |
◊ |
E |
-x,y-1/2,-z-1 |
2_544 |
37 |
11 |
12328 |
335.3 |
-1.9 |
0.486 |
3 |
4 |
0 |
0.000 |
15 |
|
D |
21 |
9 |
12707 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
15 |
7 |
12104 |
126.4 |
-1.0 |
0.490 |
0 |
0 |
0 |
0.000 |
| Average: |
230.8 |
-1.4 |
0.488 |
2 |
2 |
0 |
0.000 |
| 5 |
16 |
|
B |
34 |
11 |
12400 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
27 |
8 |
12633 |
294.2 |
0.6 |
0.745 |
3 |
3 |
0 |
0.000 |
17 |
|
C |
29 |
9 |
12679 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
38 |
13 |
12104 |
277.2 |
2.5 |
0.897 |
5 |
1 |
0 |
0.000 |
| Average: |
285.7 |
1.6 |
0.821 |
4 |
2 |
0 |
0.000 |
| 6 |
18 |
|
C |
26 |
10 |
12679 |
◊ |
H |
x,y,z-1 |
1_554 |
17 |
8 |
12146 |
202.2 |
-1.3 |
0.445 |
2 |
0 |
0 |
0.000 |
| 7 |
19 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
12630 |
123.9 |
3.6 |
0.693 |
2 |
0 |
0 |
0.000 |
| 8 |
20 |
|
[EDO]B:303 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
12400 |
122.1 |
3.8 |
0.476 |
2 |
0 |
0 |
0.000 |
| 9 |
21 |
|
[EDO]E:303 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
22 |
9 |
12328 |
121.1 |
3.5 |
0.470 |
2 |
0 |
0 |
0.000 |
| 10 |
22 |
|
[EDO]C:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
12679 |
120.8 |
3.8 |
0.502 |
2 |
0 |
0 |
0.000 |
| 11 |
23 |
|
[EDO]G:302 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
22 |
9 |
12104 |
120.4 |
3.3 |
0.482 |
3 |
0 |
0 |
0.000 |
| 12 |
24 |
|
[EDO]D:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
12707 |
116.4 |
3.8 |
0.633 |
2 |
0 |
0 |
0.000 |
| 13 |
25 |
|
H |
12 |
4 |
12146 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
14 |
4 |
12633 |
106.4 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.000 |
26 |
|
C |
10 |
3 |
12679 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
13 |
4 |
12630 |
78.1 |
-0.2 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
92.3 |
-0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[EDO]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
12707 |
103.8 |
3.1 |
0.465 |
4 |
0 |
0 |
0.000 |
| 15 |
28 |
|
[EDO]H:301 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
12146 |
103.6 |
2.9 |
0.464 |
4 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[EDO]E:302 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
12328 |
103.6 |
3.1 |
0.471 |
4 |
0 |
0 |
0.000 |
| 17 |
30 |
|
[EDO]D:303 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
12707 |
103.2 |
2.6 |
0.471 |
4 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[EDO]A:302 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12630 |
102.9 |
3.0 |
0.472 |
5 |
0 |
0 |
0.000 |
| 19 |
32 |
|
[EDO]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
12679 |
102.8 |
3.0 |
0.472 |
4 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12400 |
101.2 |
2.8 |
0.464 |
4 |
0 |
0 |
0.000 |
| Average: |
102.0 |
2.9 |
0.468 |
4 |
0 |
0 |
0.000 |
| 20 |
34 |
|
[EDO]F:302 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
12633 |
100.9 |
3.0 |
0.462 |
5 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[EDO]G:301 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
12104 |
100.2 |
3.1 |
0.476 |
2 |
0 |
0 |
0.000 |
| 22 |
36 |
|
A |
14 |
4 |
12630 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
2 |
12707 |
97.7 |
-0.9 |
0.480 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[EDO]D:301 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
12707 |
96.2 |
2.7 |
0.472 |
2 |
0 |
0 |
0.000 |
38 |
|
[EDO]F:301 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
12633 |
95.8 |
2.8 |
0.470 |
3 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:301 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
12630 |
94.9 |
2.8 |
0.467 |
2 |
0 |
0 |
0.000 |
| Average: |
95.6 |
2.7 |
0.469 |
2 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[EDO]E:301 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
12328 |
95.3 |
2.7 |
0.484 |
3 |
0 |
0 |
0.000 |
41 |
|
[EDO]C:301 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
12679 |
95.0 |
2.7 |
0.465 |
2 |
0 |
0 |
0.000 |
| Average: |
95.2 |
2.7 |
0.475 |
3 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[EDO]B:301 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
12400 |
93.8 |
2.8 |
0.475 |
2 |
0 |
0 |
0.000 |
| 26 |
43 |
|
[EDO]F:303 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
12633 |
81.1 |
2.0 |
0.289 |
3 |
0 |
0 |
0.000 |
| 27 |
44 |
|
D |
8 |
3 |
12707 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
12630 |
76.7 |
-0.3 |
0.576 |
2 |
0 |
0 |
0.000 |
45 |
|
F |
9 |
3 |
12633 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
12679 |
74.6 |
0.0 |
0.649 |
1 |
0 |
0 |
0.000 |
| Average: |
75.7 |
-0.1 |
0.613 |
2 |
0 |
0 |
0.000 |
| 28 |
46 |
|
D |
9 |
4 |
12707 |
◊ |
E |
-x+1,y-1/2,-z-1 |
2_644 |
6 |
4 |
12328 |
61.8 |
0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
| 29 |
47 |
|
[EDO]E:301 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
12633 |
51.5 |
1.0 |
0.474 |
0 |
0 |
0 |
0.000 |
| 30 |
48 |
|
[EDO]C:301 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
12707 |
50.8 |
1.0 |
0.167 |
0 |
0 |
0 |
0.000 |
49 |
|
[EDO]B:301 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12630 |
50.4 |
1.0 |
0.170 |
0 |
0 |
0 |
0.000 |
| Average: |
50.6 |
1.0 |
0.168 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[EDO]A:301 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12400 |
49.8 |
0.9 |
0.164 |
0 |
0 |
0 |
0.000 |
51 |
|
[EDO]F:301 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
12328 |
46.0 |
1.0 |
0.460 |
0 |
0 |
0 |
0.000 |
| Average: |
47.9 |
0.9 |
0.312 |
0 |
0 |
0 |
0.000 |
| 32 |
52 |
|
[EDO]D:301 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12679 |
49.8 |
1.1 |
0.172 |
0 |
0 |
0 |
0.000 |
| 33 |
53 |
|
B |
5 |
2 |
12400 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
5 |
3 |
12146 |
46.4 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
| 34 |
54 |
|
C |
3 |
1 |
12679 |
f |
[EDO]G:301 |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
186 |
40.0 |
1.7 |
0.982 |
1 |
0 |
0 |
0.000 |
| 35 |
55 |
|
D |
5 |
1 |
12707 |
◊ |
H |
x,y,z-1 |
1_554 |
5 |
2 |
12146 |
35.5 |
0.1 |
0.649 |
1 |
2 |
0 |
0.000 |
| 36 |
56 |
|
[EDO]B:302 |
3 |
1 |
185 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
12633 |
30.7 |
1.9 |
0.985 |
1 |
0 |
0 |
0.000 |
| 37 |
57 |
|
H |
2 |
1 |
12146 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12328 |
22.3 |
-0.0 |
0.301 |
0 |
0 |
0 |
0.000 |
| 38 |
58 |
|
A |
3 |
2 |
12630 |
◊ |
E |
-x,y-1/2,-z-1 |
2_544 |
5 |
2 |
12328 |
14.6 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
| 39 |
59 |
|
[EDO]E:303 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12679 |
14.3 |
0.4 |
0.765 |
0 |
0 |
0 |
0.000 |
| 40 |
60 |
|
[EDO]B:303 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
12707 |
10.7 |
0.3 |
0.798 |
0 |
0 |
0 |
0.000 |
| 41 |
61 |
|
[EDO]C:303 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12630 |
10.4 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
| 42 |
62 |
|
[EDO]A:303 |
2 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
12104 |
9.8 |
0.2 |
0.733 |
0 |
0 |
0 |
0.000 |
| 43 |
63 |
|
D |
1 |
1 |
12707 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
12630 |
7.7 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
| 44 |
64 |
|
A |
2 |
2 |
12630 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
2 |
12633 |
6.4 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
|