## |
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 |
134 |
33 |
14924 |
◊ |
B |
x,y,z |
1_555 |
136 |
33 |
14775 |
1196.5 |
-17.1 |
0.022 |
9 |
4 |
0 |
0.414 |
2 |
|
C |
136 |
33 |
14792 |
◊ |
A |
x,y,z |
1_555 |
131 |
32 |
14696 |
1193.1 |
-17.1 |
0.020 |
9 |
4 |
0 |
0.414 |
Average: |
1194.8 |
-17.1 |
0.021 |
9 |
4 |
0 |
0.414 |
2 |
3 |
|
D |
137 |
37 |
14924 |
◊ |
C |
x,y,z |
1_555 |
135 |
38 |
14792 |
1157.0 |
0.1 |
0.710 |
22 |
0 |
0 |
0.214 |
4 |
|
B |
132 |
36 |
14775 |
◊ |
A |
x,y,z |
1_555 |
132 |
36 |
14696 |
1136.4 |
1.5 |
0.787 |
22 |
1 |
0 |
0.214 |
Average: |
1146.7 |
0.8 |
0.749 |
22 |
1 |
0 |
0.214 |
3 |
5 |
|
[NAP]C:402 |
47 |
1 |
896 |
f |
C |
x,y,z |
1_555 |
93 |
37 |
14792 |
587.1 |
-2.8 |
0.546 |
19 |
0 |
0 |
0.521 |
6 |
|
[NAP]D:403 |
46 |
1 |
896 |
f |
D |
x,y,z |
1_555 |
90 |
35 |
14924 |
584.7 |
-2.9 |
0.544 |
21 |
0 |
0 |
0.521 |
7 |
|
[NAP]A:403 |
46 |
1 |
896 |
f |
A |
x,y,z |
1_555 |
89 |
36 |
14696 |
584.5 |
-3.0 |
0.550 |
20 |
0 |
0 |
0.521 |
8 |
|
[NAP]B:404 |
46 |
1 |
894 |
f |
B |
x,y,z |
1_555 |
89 |
36 |
14775 |
584.4 |
-2.9 |
0.549 |
21 |
0 |
0 |
0.521 |
Average: |
585.2 |
-2.9 |
0.547 |
20 |
0 |
0 |
0.521 |
4 |
9 |
|
[G4F]C:401 |
38 |
1 |
708 |
f |
C |
x,y,z |
1_555 |
71 |
27 |
14792 |
482.7 |
5.4 |
0.563 |
19 |
0 |
0 |
0.127 |
10 |
|
[G4F]D:402 |
37 |
1 |
706 |
f |
D |
x,y,z |
1_555 |
69 |
28 |
14924 |
481.5 |
6.3 |
0.626 |
20 |
0 |
0 |
0.127 |
11 |
|
[G4F]B:403 |
37 |
1 |
705 |
f |
B |
x,y,z |
1_555 |
71 |
29 |
14775 |
476.9 |
5.9 |
0.614 |
20 |
0 |
0 |
0.127 |
12 |
|
[G4F]A:402 |
37 |
1 |
700 |
f |
A |
x,y,z |
1_555 |
71 |
28 |
14696 |
475.0 |
5.1 |
0.573 |
19 |
0 |
0 |
0.127 |
Average: |
479.0 |
5.7 |
0.594 |
20 |
0 |
0 |
0.127 |
5 |
13 |
|
D |
32 |
9 |
14924 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
14696 |
316.0 |
-3.6 |
0.206 |
2 |
0 |
0 |
0.044 |
14 |
|
C |
33 |
10 |
14792 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
14775 |
304.5 |
-1.8 |
0.388 |
0 |
0 |
0 |
0.044 |
Average: |
310.2 |
-2.7 |
0.297 |
1 |
0 |
0 |
0.044 |
6 |
15 |
|
A |
32 |
13 |
14696 |
◊ |
B |
x-1/2,-y-1/2,-z-1 |
4_444 |
35 |
9 |
14775 |
276.6 |
1.0 |
0.727 |
2 |
0 |
0 |
0.000 |
7 |
16 |
|
A |
31 |
13 |
14696 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
13 |
14924 |
219.9 |
2.8 |
0.857 |
2 |
1 |
0 |
0.000 |
8 |
17 |
|
C |
19 |
7 |
14792 |
x |
C |
-x,y-1/2,-z-1/2 |
3_544 |
18 |
6 |
14792 |
169.4 |
-0.4 |
0.459 |
2 |
0 |
0 |
0.000 |
9 |
18 |
|
C |
19 |
6 |
14792 |
◊ |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
17 |
6 |
14696 |
162.4 |
-0.6 |
0.444 |
2 |
0 |
0 |
0.000 |
19 |
|
D |
21 |
7 |
14924 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
16 |
6 |
14775 |
158.2 |
-0.1 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
160.3 |
-0.3 |
0.479 |
2 |
0 |
0 |
0.000 |
10 |
20 |
|
C |
15 |
6 |
14792 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
19 |
8 |
14924 |
127.6 |
1.5 |
0.797 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
[CIT]A:401 |
11 |
1 |
314 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14696 |
126.3 |
-0.3 |
0.289 |
4 |
0 |
0 |
0.043 |
12 |
22 |
|
[CIT]B:402 |
10 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14775 |
125.1 |
-0.3 |
0.375 |
4 |
0 |
0 |
0.042 |
13 |
23 |
|
A |
13 |
4 |
14696 |
x |
A |
x-1/2,-y-1/2,-z-1 |
4_444 |
15 |
7 |
14696 |
108.8 |
-0.7 |
0.473 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
D |
14 |
5 |
14924 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
13 |
4 |
14924 |
108.4 |
0.3 |
0.645 |
1 |
1 |
0 |
0.000 |
15 |
25 |
|
[NAP]B:404 |
12 |
1 |
894 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
14696 |
103.3 |
-0.5 |
0.561 |
5 |
0 |
0 |
0.123 |
26 |
|
[NAP]C:402 |
11 |
1 |
896 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
14924 |
103.3 |
-0.5 |
0.544 |
5 |
0 |
0 |
0.123 |
27 |
|
[NAP]D:403 |
11 |
1 |
896 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
14792 |
103.1 |
-0.6 |
0.541 |
5 |
0 |
0 |
0.123 |
28 |
|
[NAP]A:403 |
11 |
1 |
896 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
14775 |
101.2 |
-0.7 |
0.536 |
5 |
0 |
0 |
0.123 |
Average: |
102.7 |
-0.6 |
0.545 |
5 |
0 |
0 |
0.123 |
16 |
29 |
|
[EDO]D:401 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
14924 |
91.9 |
1.6 |
0.221 |
3 |
0 |
0 |
0.000 |
17 |
30 |
|
[EDO]B:401 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
14775 |
90.5 |
2.4 |
0.300 |
4 |
0 |
0 |
0.000 |
18 |
31 |
|
B |
11 |
4 |
14775 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
3 |
14775 |
83.6 |
-0.1 |
0.551 |
1 |
0 |
0 |
0.000 |
19 |
32 |
|
[NAP]D:403 |
12 |
1 |
896 |
f |
[G4F]D:402 |
x,y,z |
1_555 |
7 |
1 |
706 |
71.6 |
-0.5 |
0.331 |
0 |
0 |
0 |
0.022 |
33 |
|
[NAP]C:402 |
12 |
1 |
896 |
f |
[G4F]C:401 |
x,y,z |
1_555 |
7 |
1 |
708 |
70.9 |
-0.5 |
0.332 |
0 |
0 |
0 |
0.022 |
34 |
|
[NAP]B:404 |
12 |
1 |
894 |
f |
[G4F]B:403 |
x,y,z |
1_555 |
7 |
1 |
705 |
70.2 |
-0.5 |
0.333 |
0 |
0 |
0 |
0.022 |
35 |
|
[NAP]A:403 |
12 |
1 |
896 |
f |
[G4F]A:402 |
x,y,z |
1_555 |
7 |
1 |
700 |
69.8 |
-0.4 |
0.349 |
0 |
0 |
0 |
0.022 |
Average: |
70.6 |
-0.5 |
0.336 |
0 |
0 |
0 |
0.022 |
20 |
36 |
|
C |
8 |
5 |
14792 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
6 |
14775 |
69.7 |
1.1 |
0.791 |
1 |
1 |
0 |
0.000 |
21 |
37 |
|
[EDO]B:401 |
3 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14696 |
51.8 |
1.4 |
0.250 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
[CIT]A:401 |
4 |
1 |
314 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14775 |
41.6 |
0.0 |
0.364 |
1 |
0 |
0 |
0.009 |
23 |
39 |
|
[CIT]B:402 |
4 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14696 |
40.0 |
-1.1 |
0.327 |
1 |
0 |
0 |
0.031 |
24 |
40 |
|
[EDO]D:401 |
2 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
14775 |
30.8 |
0.7 |
0.701 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
[G4F]A:402 |
2 |
1 |
700 |
f |
[CIT]A:401 |
x,y,z |
1_555 |
1 |
1 |
314 |
12.5 |
0.2 |
0.225 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[G4F]B:403 |
2 |
1 |
705 |
f |
[CIT]B:402 |
x,y,z |
1_555 |
1 |
1 |
308 |
12.5 |
-0.2 |
0.211 |
0 |
0 |
0 |
0.005 |
27 |
43 |
|
[EDO]B:401 |
1 |
1 |
188 |
f |
[CIT]A:401 |
x,y,z |
1_555 |
1 |
1 |
314 |
11.5 |
0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
|