| ## |
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 |
|
A |
78 |
22 |
4999 |
x |
A |
-y,x-y,z |
2_555 |
84 |
21 |
4999 |
869.5 |
-16.7 |
0.146 |
2 |
7 |
0 |
0.807 |
2 |
|
B |
76 |
19 |
4535 |
x |
B |
-y+1,x-y,z |
2_655 |
68 |
21 |
4535 |
776.3 |
-14.7 |
0.194 |
4 |
5 |
0 |
0.807 |
| Average: |
822.9 |
-15.7 |
0.170 |
3 |
6 |
0 |
0.807 |
| 2 |
3 |
|
C |
29 |
8 |
1364 |
◊ |
A |
x,y,z |
1_555 |
32 |
7 |
4999 |
279.4 |
-2.1 |
0.795 |
3 |
0 |
0 |
0.132 |
4 |
|
D |
27 |
8 |
1483 |
◊ |
B |
x,y,z |
1_555 |
31 |
7 |
4535 |
277.7 |
-2.2 |
0.741 |
3 |
0 |
0 |
0.132 |
| Average: |
278.6 |
-2.1 |
0.768 |
3 |
0 |
0 |
0.132 |
| 3 |
5 |
|
D |
27 |
9 |
1483 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
4999 |
276.0 |
-6.5 |
0.309 |
0 |
0 |
0 |
0.212 |
6 |
|
C |
27 |
8 |
1364 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
4535 |
264.0 |
-6.8 |
0.288 |
0 |
0 |
0 |
0.212 |
| Average: |
270.0 |
-6.6 |
0.299 |
0 |
0 |
0 |
0.212 |
| 4 |
7 |
|
A |
22 |
6 |
4999 |
◊ |
D |
-y,x-y,z |
2_555 |
28 |
5 |
1483 |
239.2 |
-3.2 |
0.572 |
2 |
0 |
0 |
0.136 |
8 |
|
C |
28 |
5 |
1364 |
◊ |
B |
-y+1,x-y,z |
2_655 |
23 |
6 |
4535 |
237.2 |
-3.5 |
0.616 |
2 |
0 |
0 |
0.136 |
| Average: |
238.2 |
-3.3 |
0.594 |
2 |
0 |
0 |
0.136 |
| 5 |
9 |
|
A |
15 |
4 |
4999 |
x |
A |
-x,-y,z-1/2 |
4_554 |
10 |
3 |
4999 |
102.3 |
-0.2 |
0.693 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[YT3]B:504 |
1 |
1 |
196 |
x |
B |
x,y,z |
1_555 |
10 |
4 |
4535 |
80.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.213 |
11 |
|
[YT3]A:503 |
1 |
1 |
196 |
x |
A |
x,y,z |
1_555 |
11 |
4 |
4999 |
79.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
80.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.213 |
| 7 |
12 |
|
[YT3]B:502 |
1 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
4535 |
79.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.201 |
13 |
|
[YT3]A:501 |
1 |
1 |
196 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
4999 |
76.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.201 |
| Average: |
78.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.201 |
| 8 |
14 |
|
[YT3]B:505 |
1 |
1 |
196 |
x |
B |
x,y,z |
1_555 |
7 |
4 |
4535 |
75.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.217 |
| 9 |
15 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
4999 |
72.8 |
0.0 |
0.835 |
3 |
0 |
0 |
0.057 |
| 10 |
16 |
|
[YT3]B:502 |
1 |
1 |
196 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
1483 |
58.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.077 |
17 |
|
[YT3]A:501 |
1 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
1364 |
57.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
58.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.077 |
| 11 |
18 |
|
[NH2]A:46 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
4 |
3 |
4999 |
51.9 |
0.7 |
0.787 |
0 |
0 |
0 |
0.000 |
19 |
|
[NH2]B:46 |
1 |
1 |
117 |
cf |
B |
x,y,z |
1_555 |
5 |
1 |
4535 |
50.0 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
| Average: |
51.0 |
0.5 |
0.731 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[CL]A:601 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
4999 |
49.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.238 |
| 13 |
21 |
|
[NH2]C:17 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
1364 |
48.6 |
0.6 |
0.880 |
0 |
0 |
0 |
0.000 |
22 |
|
[NH2]D:17 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
7 |
4 |
1483 |
48.5 |
0.6 |
0.844 |
0 |
0 |
0 |
0.000 |
| Average: |
48.6 |
0.6 |
0.862 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
A |
5 |
2 |
4999 |
◊ |
[ACE]A:0 |
-x,-y,z-1/2 |
4_554 |
2 |
1 |
172 |
44.0 |
-0.9 |
0.678 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
A |
8 |
2 |
4999 |
x |
A |
x-y,x,z-1/2 |
6_554 |
5 |
2 |
4999 |
38.7 |
-1.1 |
0.296 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[NH2]C:17 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4535 |
35.3 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.002 |
26 |
|
[NH2]D:17 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4999 |
34.7 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.002 |
| Average: |
35.0 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.002 |
| 17 |
27 |
|
[NH2]A:46 |
1 |
1 |
117 |
◊ |
A |
-x,-y,z-1/2 |
4_554 |
5 |
1 |
4999 |
30.2 |
0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
A |
2 |
1 |
4999 |
◊ |
[YT3]B:502 |
-y,x-y,z |
2_555 |
1 |
1 |
196 |
26.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[YT3]A:501 |
1 |
1 |
196 |
◊ |
B |
-y+1,x-y,z |
2_655 |
2 |
1 |
4535 |
25.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
25.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
B |
4 |
1 |
4535 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
4999 |
22.9 |
0.5 |
0.781 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
A |
2 |
1 |
4999 |
◊ |
[ACE]A:0 |
x-y,x,z-1/2 |
6_554 |
1 |
1 |
172 |
20.6 |
-0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
B |
1 |
1 |
4535 |
◊ |
D |
-y+1,x-y,z |
2_655 |
2 |
1 |
1483 |
16.7 |
-0.5 |
0.328 |
0 |
0 |
0 |
0.020 |
33 |
|
C |
2 |
1 |
1364 |
◊ |
A |
-y,x-y,z |
2_555 |
2 |
1 |
4999 |
12.7 |
-0.3 |
0.558 |
0 |
0 |
0 |
0.020 |
| Average: |
14.7 |
-0.4 |
0.443 |
0 |
0 |
0 |
0.020 |
| 22 |
34 |
|
[NH2]C:17 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4999 |
9.4 |
0.2 |
0.917 |
0 |
0 |
0 |
0.000 |
35 |
|
[NH2]D:17 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4535 |
9.3 |
0.2 |
0.913 |
0 |
0 |
0 |
0.000 |
| Average: |
9.3 |
0.2 |
0.915 |
0 |
0 |
0 |
0.000 |
| 23 |
36 |
|
A |
1 |
1 |
4999 |
x |
A |
x-y,x,z+1/2 |
6_555 |
2 |
1 |
4999 |
8.3 |
-0.3 |
0.386 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[NH2]A:46 |
1 |
1 |
117 |
◊ |
[ACE]A:0 |
-x,-y,z-1/2 |
4_554 |
2 |
1 |
172 |
6.9 |
-0.0 |
0.943 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[YT3]A:501 |
1 |
1 |
196 |
◊ |
[NH2]B:46 |
-y+1,x-y,z |
2_655 |
1 |
1 |
117 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|