| ## |
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 |
212 |
55 |
9870 |
◊ |
A |
x,y,z |
1_555 |
169 |
44 |
6141 |
1778.1 |
-31.9 |
0.154 |
16 |
6 |
0 |
0.375 |
2 |
|
D |
200 |
53 |
10003 |
◊ |
C |
x,y,z |
1_555 |
168 |
43 |
6109 |
1754.6 |
-30.5 |
0.188 |
16 |
6 |
0 |
0.375 |
| Average: |
1766.3 |
-31.2 |
0.171 |
16 |
6 |
0 |
0.375 |
| 2 |
3 |
|
[CYC]B:203 |
42 |
1 |
908 |
cf |
B |
x,y,z |
1_555 |
66 |
24 |
9870 |
578.6 |
-14.6 |
0.621 |
3 |
0 |
0 |
0.150 |
4 |
|
[CYC]D:203 |
42 |
1 |
905 |
cf |
D |
x,y,z |
1_555 |
67 |
24 |
10003 |
556.9 |
-13.8 |
0.579 |
2 |
0 |
0 |
0.150 |
| Average: |
567.7 |
-14.2 |
0.600 |
3 |
0 |
0 |
0.150 |
| 3 |
5 |
|
[DBV]B:201 |
42 |
1 |
913 |
cf |
B |
x,y,z |
1_555 |
56 |
19 |
9870 |
490.7 |
-10.5 |
0.571 |
5 |
0 |
0 |
0.121 |
6 |
|
[DBV]D:201 |
42 |
1 |
912 |
cf |
D |
x,y,z |
1_555 |
55 |
19 |
10003 |
485.4 |
-10.5 |
0.515 |
5 |
0 |
0 |
0.121 |
| Average: |
488.1 |
-10.5 |
0.543 |
5 |
0 |
0 |
0.121 |
| 4 |
7 |
|
[CYC]A:101 |
38 |
1 |
897 |
cf |
A |
x,y,z |
1_555 |
61 |
19 |
6141 |
487.0 |
-12.5 |
0.745 |
4 |
0 |
0 |
0.136 |
8 |
|
[CYC]C:101 |
39 |
1 |
892 |
cf |
C |
x,y,z |
1_555 |
61 |
19 |
6109 |
480.3 |
-12.5 |
0.756 |
4 |
0 |
0 |
0.136 |
| Average: |
483.6 |
-12.5 |
0.751 |
4 |
0 |
0 |
0.136 |
| 5 |
9 |
|
[CYC]D:202 |
42 |
1 |
898 |
cf |
D |
x,y,z |
1_555 |
62 |
20 |
10003 |
469.2 |
-9.2 |
0.669 |
5 |
0 |
0 |
0.108 |
10 |
|
[CYC]B:202 |
41 |
1 |
894 |
cf |
B |
x,y,z |
1_555 |
61 |
20 |
9870 |
468.8 |
-9.3 |
0.690 |
5 |
0 |
0 |
0.108 |
| Average: |
469.0 |
-9.2 |
0.680 |
5 |
0 |
0 |
0.108 |
| 6 |
11 |
|
D |
40 |
10 |
10003 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
6141 |
328.6 |
-1.1 |
0.755 |
6 |
0 |
0 |
0.038 |
12 |
|
B |
34 |
10 |
9870 |
◊ |
C |
x,y,z |
1_555 |
28 |
9 |
6109 |
306.1 |
-1.9 |
0.678 |
7 |
0 |
0 |
0.038 |
| Average: |
317.3 |
-1.5 |
0.716 |
7 |
0 |
0 |
0.038 |
| 7 |
13 |
|
A |
24 |
6 |
6141 |
◊ |
D |
x-y,x,z-1/2 |
2_554 |
26 |
9 |
10003 |
221.3 |
0.3 |
0.814 |
5 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
27 |
8 |
9870 |
◊ |
D |
x,y,z-1 |
1_554 |
28 |
11 |
10003 |
212.5 |
-1.6 |
0.581 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[CYC]D:202 |
16 |
1 |
898 |
◊ |
C |
x,y,z |
1_555 |
21 |
8 |
6109 |
185.7 |
-3.6 |
0.798 |
2 |
0 |
0 |
0.043 |
16 |
|
[CYC]B:202 |
15 |
1 |
894 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
6141 |
177.0 |
-3.0 |
0.815 |
1 |
0 |
0 |
0.043 |
| Average: |
181.4 |
-3.3 |
0.806 |
2 |
0 |
0 |
0.043 |
| 10 |
17 |
|
C |
22 |
6 |
6109 |
◊ |
A |
x-y,x,z+1/2 |
2_555 |
22 |
6 |
6141 |
185.0 |
-3.2 |
0.561 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
D |
19 |
6 |
10003 |
◊ |
B |
-y,x-y+1,z |
3_565 |
18 |
6 |
9870 |
180.0 |
-4.5 |
0.115 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[CYC]D:203 |
15 |
1 |
905 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
6109 |
159.2 |
-3.1 |
0.781 |
2 |
0 |
0 |
0.038 |
20 |
|
[CYC]B:203 |
12 |
1 |
908 |
◊ |
A |
x,y,z |
1_555 |
22 |
7 |
6141 |
148.1 |
-2.6 |
0.775 |
2 |
0 |
0 |
0.038 |
| Average: |
153.7 |
-2.9 |
0.778 |
2 |
0 |
0 |
0.038 |
| 13 |
21 |
|
[CYC]C:101 |
13 |
1 |
892 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
6141 |
134.8 |
-2.7 |
0.639 |
1 |
0 |
0 |
0.026 |
22 |
|
[CYC]A:101 |
11 |
1 |
897 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
6109 |
121.7 |
-2.5 |
0.685 |
1 |
0 |
0 |
0.026 |
| Average: |
128.2 |
-2.6 |
0.662 |
1 |
0 |
0 |
0.026 |
| 14 |
23 |
|
[DBV]D:201 |
9 |
1 |
912 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
6109 |
107.3 |
-1.8 |
0.728 |
0 |
0 |
0 |
0.018 |
24 |
|
[DBV]B:201 |
13 |
1 |
913 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
6141 |
107.0 |
-2.0 |
0.765 |
0 |
0 |
0 |
0.018 |
| Average: |
107.2 |
-1.9 |
0.746 |
0 |
0 |
0 |
0.018 |
| 15 |
25 |
|
C |
10 |
5 |
6109 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6141 |
96.9 |
2.1 |
0.890 |
2 |
0 |
0 |
0.000 |
| 16 |
26 |
|
C |
9 |
3 |
6109 |
◊ |
B |
-y,x-y+1,z |
3_565 |
15 |
5 |
9870 |
95.9 |
-0.9 |
0.596 |
1 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[CYC]C:101 |
8 |
1 |
892 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
10003 |
91.4 |
-2.8 |
0.493 |
1 |
0 |
0 |
0.031 |
28 |
|
[CYC]A:101 |
9 |
1 |
897 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
9870 |
87.2 |
-2.7 |
0.534 |
1 |
0 |
0 |
0.031 |
| Average: |
89.3 |
-2.7 |
0.513 |
1 |
0 |
0 |
0.031 |
| 18 |
29 |
|
B |
13 |
6 |
9870 |
◊ |
D |
x-y,x,z-1/2 |
2_554 |
7 |
2 |
10003 |
91.1 |
1.0 |
0.851 |
3 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[CYC]A:101 |
6 |
1 |
897 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
10003 |
84.1 |
-1.7 |
0.561 |
0 |
0 |
0 |
0.016 |
31 |
|
[CYC]C:101 |
6 |
1 |
892 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9870 |
78.2 |
-1.9 |
0.368 |
0 |
0 |
0 |
0.016 |
| Average: |
81.2 |
-1.8 |
0.465 |
0 |
0 |
0 |
0.016 |
| 20 |
32 |
|
D |
7 |
3 |
10003 |
◊ |
A |
x-y,x,z+1/2 |
2_555 |
8 |
4 |
6141 |
61.2 |
-0.2 |
0.628 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
D |
3 |
2 |
10003 |
◊ |
A |
-y,x-y+1,z |
3_565 |
2 |
2 |
6141 |
24.4 |
0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
C |
1 |
1 |
6109 |
◊ |
B |
x-y,x,z+1/2 |
2_555 |
1 |
1 |
9870 |
19.7 |
-0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
D |
3 |
1 |
10003 |
x |
D |
x-y,x,z+1/2 |
2_555 |
2 |
1 |
10003 |
9.5 |
0.2 |
0.733 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[CYC]C:101 |
1 |
1 |
892 |
◊ |
A |
x-y,x,z+1/2 |
2_555 |
1 |
1 |
6141 |
1.3 |
-0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
| 25 |
37 |
|
[DBV]D:201 |
1 |
1 |
912 |
◊ |
A |
-y,x-y+1,z |
3_565 |
1 |
1 |
6141 |
0.2 |
-0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
|