| ## |
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 |
182 |
53 |
17278 |
◊ |
C |
x,y,z |
1_555 |
174 |
44 |
6838 |
1656.3 |
-13.0 |
0.292 |
26 |
14 |
0 |
1.000 |
2 |
|
F |
184 |
50 |
17187 |
◊ |
E |
x,y,z |
1_555 |
168 |
41 |
6627 |
1633.2 |
-12.7 |
0.360 |
27 |
13 |
0 |
1.000 |
| Average: |
1644.7 |
-12.9 |
0.326 |
27 |
14 |
0 |
1.000 |
| 2 |
3 |
|
D |
137 |
39 |
17278 |
◊ |
E |
x,y,z |
1_555 |
131 |
43 |
6627 |
1288.9 |
-8.0 |
0.161 |
21 |
4 |
0 |
1.000 |
4 |
|
F |
131 |
38 |
17187 |
◊ |
C |
x,y,z |
1_555 |
131 |
43 |
6838 |
1287.0 |
-7.9 |
0.148 |
19 |
4 |
0 |
1.000 |
| Average: |
1287.9 |
-8.0 |
0.154 |
20 |
4 |
0 |
1.000 |
| 3 |
5 |
|
C |
99 |
28 |
6838 |
◊ |
A |
x,y,z |
1_555 |
91 |
30 |
16305 |
930.8 |
-8.7 |
0.270 |
8 |
1 |
0 |
0.138 |
6 |
|
E |
85 |
25 |
6627 |
◊ |
B |
x,y,z |
1_555 |
80 |
27 |
16359 |
836.1 |
-9.1 |
0.228 |
8 |
1 |
0 |
0.138 |
| Average: |
883.4 |
-8.9 |
0.249 |
8 |
1 |
0 |
0.138 |
| 4 |
7 |
|
F |
74 |
22 |
17187 |
◊ |
D |
x,y,z |
1_555 |
69 |
20 |
17278 |
655.6 |
-2.8 |
0.503 |
6 |
14 |
0 |
0.079 |
| 5 |
8 |
|
[HEC]B:500 |
43 |
1 |
853 |
cf |
B |
x,y,z |
1_555 |
82 |
33 |
16359 |
627.9 |
-22.7 |
0.334 |
5 |
0 |
0 |
0.269 |
9 |
|
[HEC]A:500 |
43 |
1 |
842 |
cf |
A |
x,y,z |
1_555 |
84 |
33 |
16305 |
620.3 |
-22.1 |
0.344 |
5 |
0 |
0 |
0.269 |
| Average: |
624.1 |
-22.4 |
0.339 |
5 |
0 |
0 |
0.269 |
| 6 |
10 |
|
[HEC]A:600 |
43 |
1 |
841 |
cf |
A |
x,y,z |
1_555 |
84 |
33 |
16305 |
613.5 |
-24.3 |
0.188 |
3 |
0 |
0 |
0.277 |
11 |
|
[HEC]B:600 |
43 |
1 |
836 |
cf |
B |
x,y,z |
1_555 |
85 |
33 |
16359 |
609.9 |
-24.4 |
0.194 |
3 |
0 |
0 |
0.277 |
| Average: |
611.7 |
-24.3 |
0.191 |
3 |
0 |
0 |
0.277 |
| 7 |
12 |
|
A |
52 |
18 |
16305 |
◊ |
F |
x,y-1,z-1 |
1_544 |
63 |
19 |
17187 |
471.5 |
-4.0 |
0.385 |
3 |
2 |
0 |
0.000 |
| 8 |
13 |
|
D |
47 |
16 |
17278 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
16305 |
414.4 |
0.4 |
0.678 |
4 |
1 |
0 |
0.017 |
14 |
|
F |
44 |
14 |
17187 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
16359 |
412.4 |
-0.2 |
0.651 |
5 |
2 |
0 |
0.017 |
| Average: |
413.4 |
0.1 |
0.665 |
5 |
2 |
0 |
0.017 |
| 9 |
15 |
|
A |
44 |
13 |
16305 |
◊ |
B |
x,y,z-1 |
1_554 |
45 |
15 |
16359 |
349.5 |
0.9 |
0.775 |
2 |
4 |
0 |
0.003 |
| 10 |
16 |
|
E |
39 |
12 |
6627 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
10 |
16359 |
322.2 |
-4.2 |
0.255 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
D |
29 |
7 |
17278 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
16359 |
267.5 |
0.5 |
0.679 |
8 |
2 |
0 |
0.036 |
18 |
|
F |
27 |
7 |
17187 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
16305 |
260.8 |
1.2 |
0.742 |
5 |
3 |
0 |
0.036 |
| Average: |
264.2 |
0.8 |
0.710 |
7 |
3 |
0 |
0.036 |
| 12 |
19 |
|
F |
24 |
7 |
17187 |
x |
F |
x-1,y,z |
1_455 |
19 |
4 |
17187 |
216.9 |
0.6 |
0.642 |
5 |
2 |
0 |
0.000 |
| 13 |
20 |
|
C |
23 |
8 |
6838 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
10 |
16305 |
190.2 |
-0.0 |
0.650 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
A |
8 |
3 |
16305 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
5 |
17278 |
118.6 |
0.2 |
0.676 |
3 |
2 |
0 |
0.016 |
22 |
|
F |
11 |
5 |
17187 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
16359 |
117.9 |
0.0 |
0.636 |
3 |
2 |
0 |
0.016 |
| Average: |
118.3 |
0.1 |
0.656 |
3 |
2 |
0 |
0.016 |
| 15 |
23 |
|
[EDO]B:375 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
16359 |
114.2 |
3.5 |
0.510 |
1 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[EDO]D:387 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
17278 |
107.0 |
3.5 |
0.486 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
D |
11 |
6 |
17278 |
x |
D |
x-1,y,z |
1_455 |
12 |
6 |
17278 |
87.8 |
-0.8 |
0.459 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
A |
11 |
6 |
16305 |
◊ |
B |
x,y-1,z-1 |
1_544 |
12 |
4 |
16359 |
82.7 |
0.3 |
0.698 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
D |
8 |
3 |
17278 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
16305 |
82.3 |
0.5 |
0.733 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[ACT]D:1 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
17278 |
80.8 |
0.4 |
0.754 |
3 |
0 |
0 |
0.057 |
| 21 |
29 |
|
[ACT]F:1 |
4 |
1 |
181 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
17187 |
78.9 |
0.5 |
0.763 |
3 |
0 |
0 |
0.041 |
| 22 |
30 |
|
D |
11 |
4 |
17278 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
16359 |
71.8 |
-1.3 |
0.351 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
A |
7 |
3 |
16305 |
x |
A |
x-1,y,z |
1_455 |
6 |
3 |
16305 |
57.2 |
-0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[ACT]B:374 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
16359 |
50.4 |
0.2 |
0.708 |
1 |
0 |
0 |
0.001 |
| 25 |
33 |
|
[CA]B:400 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
16359 |
44.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.117 |
34 |
|
[CA]A:400 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
16305 |
44.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
44.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.117 |
| 26 |
35 |
|
[ACT]F:387 |
1 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
17187 |
37.8 |
-0.7 |
0.392 |
0 |
0 |
0 |
0.035 |
| 27 |
36 |
|
[ACT]F:1 |
4 |
1 |
181 |
f |
[ACT]B:374 |
x,y,z-1 |
1_554 |
1 |
1 |
183 |
34.0 |
-0.6 |
0.451 |
0 |
0 |
0 |
0.030 |
| 28 |
37 |
|
F |
8 |
2 |
17187 |
f |
[ACT]B:374 |
x,y,z-1 |
1_554 |
3 |
1 |
183 |
30.0 |
-0.5 |
0.631 |
0 |
0 |
0 |
0.028 |
| 29 |
38 |
|
F |
3 |
2 |
17187 |
◊ |
[ACT]F:387 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
24.7 |
0.8 |
0.871 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[HEC]B:600 |
3 |
1 |
836 |
f |
[CA]B:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
40 |
|
[HEC]A:600 |
3 |
1 |
841 |
f |
[CA]A:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
11.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 31 |
41 |
|
F |
1 |
1 |
17187 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
2 |
16359 |
9.9 |
0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
E |
1 |
1 |
6627 |
◊ |
[ACT]F:387 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
8.6 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[HEC]A:500 |
1 |
1 |
842 |
◊ |
F |
x,y-1,z-1 |
1_544 |
1 |
1 |
17187 |
4.1 |
0.0 |
0.806 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
E |
1 |
1 |
6627 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
17187 |
1.5 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
D |
1 |
1 |
17278 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
16359 |
1.0 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
|