| ## |
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 |
|
C |
229 |
53 |
6673 |
◊ |
B |
x,y,z |
1_555 |
263 |
60 |
7851 |
2528.8 |
-43.3 |
0.073 |
23 |
2 |
0 |
0.974 |
2 |
|
W |
227 |
53 |
6537 |
◊ |
T |
x,y,z |
1_555 |
269 |
61 |
8107 |
2505.2 |
-43.0 |
0.053 |
23 |
3 |
0 |
0.974 |
| Average: |
2517.0 |
-43.2 |
0.063 |
23 |
3 |
0 |
0.974 |
| 2 |
3 |
|
T |
48 |
14 |
8107 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
7851 |
478.5 |
-8.9 |
0.223 |
0 |
1 |
0 |
0.079 |
| 3 |
4 |
|
B |
46 |
11 |
7851 |
◊ |
C |
y,x-1,-z |
4_545 |
51 |
12 |
6673 |
448.2 |
-4.2 |
0.529 |
5 |
2 |
0 |
0.000 |
5 |
|
W |
54 |
12 |
6537 |
◊ |
T |
-x+1,-x+y,-z+1/3 |
6_655 |
46 |
12 |
8107 |
436.6 |
-3.5 |
0.553 |
8 |
2 |
0 |
0.000 |
| Average: |
442.4 |
-3.9 |
0.541 |
7 |
2 |
0 |
0.000 |
| 4 |
6 |
|
T |
30 |
9 |
8107 |
x |
T |
-x+1,-x+y,-z+1/3 |
6_655 |
31 |
9 |
8107 |
298.1 |
2.5 |
0.871 |
3 |
3 |
0 |
0.000 |
7 |
|
B |
30 |
8 |
7851 |
x |
B |
y,x-1,-z |
4_545 |
24 |
8 |
7851 |
231.1 |
-0.4 |
0.734 |
0 |
1 |
0 |
0.000 |
| Average: |
264.6 |
1.0 |
0.803 |
2 |
2 |
0 |
0.000 |
| 5 |
8 |
|
C |
17 |
5 |
6673 |
x |
C |
y,x-1,-z |
4_545 |
18 |
7 |
6673 |
171.8 |
0.7 |
0.740 |
2 |
3 |
0 |
0.000 |
9 |
|
W |
18 |
7 |
6537 |
x |
W |
-x+1,-x+y,-z+1/3 |
6_655 |
17 |
5 |
6537 |
162.4 |
0.9 |
0.743 |
3 |
3 |
0 |
0.000 |
| Average: |
167.1 |
0.8 |
0.741 |
3 |
3 |
0 |
0.000 |
| 6 |
10 |
|
C |
18 |
7 |
6673 |
◊ |
T |
y,x-1,-z |
4_545 |
16 |
5 |
8107 |
154.1 |
-0.1 |
0.704 |
3 |
3 |
0 |
0.000 |
| 7 |
11 |
|
[CIT]T:2 |
11 |
1 |
309 |
◊ |
T |
x,y,z |
1_555 |
14 |
4 |
8107 |
130.2 |
1.3 |
0.533 |
2 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[CIT]B:1 |
11 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
7851 |
124.0 |
0.8 |
0.474 |
4 |
0 |
0 |
0.100 |
| 9 |
13 |
|
[CIT]C:77 |
12 |
1 |
312 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
7851 |
105.4 |
0.4 |
0.326 |
3 |
0 |
0 |
0.016 |
| 10 |
14 |
|
[CIT]W:77 |
10 |
1 |
307 |
◊ |
W |
x,y,z |
1_555 |
15 |
4 |
6537 |
104.1 |
0.8 |
0.463 |
2 |
0 |
0 |
0.002 |
| 11 |
15 |
|
[CIT]C:77 |
9 |
1 |
312 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
6673 |
104.1 |
0.5 |
0.442 |
4 |
0 |
0 |
0.100 |
| 12 |
16 |
|
[CIT]W:77 |
9 |
1 |
307 |
f |
T |
x,y,z |
1_555 |
12 |
5 |
8107 |
100.0 |
-0.1 |
0.334 |
3 |
0 |
0 |
0.100 |
| 13 |
17 |
|
[CIT]T:2 |
9 |
1 |
309 |
f |
W |
x,y,z |
1_555 |
12 |
4 |
6537 |
81.1 |
-0.3 |
0.369 |
0 |
0 |
0 |
0.100 |
| 14 |
18 |
|
[CIT]W:77 |
10 |
1 |
307 |
◊ |
T |
-x+1,-x+y,-z+1/3 |
6_655 |
6 |
2 |
8107 |
73.7 |
1.6 |
0.447 |
5 |
0 |
0 |
0.000 |
| 15 |
19 |
|
B |
5 |
2 |
7851 |
◊ |
[CIT]C:77 |
y,x-1,-z |
4_545 |
9 |
1 |
312 |
71.9 |
0.4 |
0.355 |
3 |
0 |
0 |
0.000 |
| 16 |
20 |
|
C |
6 |
1 |
6673 |
◊ |
C |
y,x,-z |
4_555 |
6 |
1 |
6673 |
70.2 |
1.2 |
0.815 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
T |
9 |
5 |
8107 |
◊ |
W |
-x+1,-x+y,-z+1/3 |
6_655 |
12 |
5 |
6537 |
65.0 |
0.2 |
0.700 |
0 |
1 |
0 |
0.000 |
22 |
|
C |
7 |
4 |
6673 |
◊ |
B |
y,x-1,-z |
4_545 |
11 |
6 |
7851 |
52.6 |
1.0 |
0.810 |
1 |
2 |
0 |
0.000 |
| Average: |
58.8 |
0.6 |
0.755 |
1 |
2 |
0 |
0.000 |
| 18 |
23 |
|
[CIT]B:1 |
8 |
1 |
311 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
6673 |
64.8 |
1.0 |
0.468 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
C |
7 |
2 |
6673 |
◊ |
[CIT]B:1 |
y,x-1,-z |
4_545 |
7 |
1 |
311 |
60.6 |
0.4 |
0.423 |
2 |
0 |
0 |
0.000 |
| 20 |
25 |
|
T |
8 |
3 |
8107 |
◊ |
B |
-y,x-y,z+1/3 |
2_555 |
6 |
3 |
7851 |
55.7 |
1.9 |
0.893 |
1 |
1 |
0 |
0.000 |
| 21 |
26 |
|
[CIT]T:2 |
5 |
1 |
309 |
◊ |
W |
-x+1,-x+y,-z+1/3 |
6_655 |
7 |
2 |
6537 |
41.1 |
1.5 |
0.578 |
1 |
0 |
0 |
0.000 |
| 22 |
27 |
|
W |
6 |
3 |
6537 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7851 |
39.1 |
-1.2 |
0.388 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
C |
2 |
1 |
6673 |
◊ |
B |
y,x,-z |
4_555 |
2 |
2 |
7851 |
34.0 |
1.2 |
0.909 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
C |
3 |
2 |
6673 |
◊ |
T |
-x,-x+y,-z+1/3 |
6_555 |
1 |
1 |
8107 |
32.9 |
0.8 |
0.874 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
C |
3 |
1 |
6673 |
◊ |
T |
x,y,z |
1_555 |
3 |
1 |
8107 |
28.2 |
-0.9 |
0.277 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
W |
3 |
2 |
6537 |
◊ |
W |
-x,-x+y,-z+1/3 |
6_555 |
3 |
2 |
6537 |
22.5 |
-0.7 |
0.411 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
B |
1 |
1 |
7851 |
◊ |
T |
x-1,y-1,z |
1_445 |
3 |
1 |
8107 |
13.6 |
0.9 |
0.911 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[CIT]T:2 |
1 |
1 |
309 |
◊ |
T |
-x+1,-x+y,-z+1/3 |
6_655 |
2 |
2 |
8107 |
6.6 |
0.3 |
0.374 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
B |
1 |
1 |
7851 |
◊ |
W |
-x+1,-x+y,-z+1/3 |
6_655 |
2 |
1 |
6537 |
6.2 |
0.3 |
0.831 |
0 |
0 |
0 |
0.000 |
| 30 |
35 |
|
B |
1 |
1 |
7851 |
◊ |
[CIT]B:1 |
y,x-1,-z |
4_545 |
1 |
1 |
311 |
3.9 |
-0.0 |
0.368 |
0 |
0 |
0 |
0.000 |
|