| ## |
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 |
298 |
78 |
22060 |
◊ |
A |
x,y,z |
1_555 |
289 |
77 |
22264 |
2884.2 |
-37.3 |
0.012 |
30 |
17 |
0 |
0.171 |
2 |
|
D |
296 |
77 |
22246 |
◊ |
B |
x,y,z |
1_555 |
299 |
79 |
22125 |
2880.0 |
-37.1 |
0.015 |
32 |
17 |
0 |
0.171 |
| Average: |
2882.1 |
-37.2 |
0.013 |
31 |
17 |
0 |
0.171 |
| 2 |
3 |
|
B |
129 |
36 |
22125 |
◊ |
A |
x,y,z |
1_555 |
129 |
37 |
22264 |
1291.2 |
-13.4 |
0.146 |
17 |
14 |
0 |
0.081 |
4 |
|
D |
119 |
36 |
22246 |
◊ |
C |
x,y,z |
1_555 |
120 |
35 |
22060 |
1242.6 |
-13.5 |
0.124 |
14 |
8 |
0 |
0.081 |
| Average: |
1266.9 |
-13.4 |
0.135 |
16 |
11 |
0 |
0.081 |
| 3 |
5 |
|
C |
97 |
29 |
22060 |
◊ |
B |
x-1,y,z+1 |
1_456 |
94 |
27 |
22125 |
813.9 |
-3.0 |
0.590 |
6 |
5 |
0 |
0.000 |
| 4 |
6 |
|
B |
49 |
15 |
22125 |
◊ |
D |
x,y-1,z |
1_545 |
47 |
16 |
22246 |
409.6 |
0.3 |
0.699 |
5 |
4 |
0 |
0.005 |
| 5 |
7 |
|
[FBP]A:532 |
20 |
1 |
478 |
f |
A |
x,y,z |
1_555 |
49 |
21 |
22264 |
326.7 |
-4.7 |
0.697 |
18 |
0 |
0 |
0.089 |
8 |
|
[FBP]D:532 |
20 |
1 |
475 |
f |
D |
x,y,z |
1_555 |
48 |
21 |
22246 |
323.4 |
-5.1 |
0.662 |
19 |
0 |
0 |
0.089 |
9 |
|
[FBP]B:532 |
20 |
1 |
470 |
f |
B |
x,y,z |
1_555 |
44 |
19 |
22125 |
320.0 |
-4.6 |
0.628 |
17 |
0 |
0 |
0.089 |
10 |
|
[FBP]C:532 |
20 |
1 |
469 |
f |
C |
x,y,z |
1_555 |
46 |
21 |
22060 |
318.1 |
-4.9 |
0.678 |
15 |
0 |
0 |
0.089 |
| Average: |
322.0 |
-4.8 |
0.666 |
17 |
0 |
0 |
0.089 |
| 6 |
11 |
|
B |
29 |
13 |
22125 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
8 |
22264 |
237.2 |
2.0 |
0.815 |
4 |
3 |
0 |
0.000 |
| 7 |
12 |
|
C |
32 |
13 |
22060 |
◊ |
A |
x-1,y+1,z |
1_465 |
29 |
12 |
22264 |
212.3 |
1.4 |
0.785 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
A |
19 |
7 |
22264 |
◊ |
B |
x,y-1,z+1 |
1_546 |
21 |
8 |
22125 |
186.6 |
0.0 |
0.648 |
0 |
2 |
0 |
0.000 |
| 9 |
14 |
|
A |
21 |
7 |
22264 |
◊ |
D |
x,y-1,z+1 |
1_546 |
11 |
6 |
22246 |
144.9 |
0.7 |
0.663 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[K]A:601 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
30 |
16 |
22264 |
128.3 |
-72.1 |
0.000 |
0 |
0 |
0 |
0.559 |
16 |
|
[K]C:603 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
13 |
22060 |
109.0 |
-77.8 |
0.000 |
0 |
0 |
0 |
0.559 |
17 |
|
[K]D:604 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
21 |
13 |
22246 |
108.8 |
-79.5 |
0.000 |
0 |
0 |
0 |
0.559 |
18 |
|
[K]B:602 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
13 |
22125 |
105.9 |
-78.9 |
0.000 |
0 |
0 |
0 |
0.559 |
| Average: |
113.0 |
-77.1 |
0.000 |
0 |
0 |
0 |
0.559 |
| 11 |
19 |
|
[OXL]D:904 |
6 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
16 |
10 |
22246 |
102.1 |
2.0 |
0.566 |
5 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[OXL]B:902 |
6 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
22125 |
101.3 |
1.5 |
0.472 |
5 |
0 |
0 |
0.005 |
21 |
|
[OXL]A:901 |
6 |
1 |
202 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
22264 |
100.1 |
1.6 |
0.480 |
5 |
0 |
0 |
0.005 |
| Average: |
100.7 |
1.6 |
0.476 |
5 |
0 |
0 |
0.005 |
| 13 |
22 |
|
[OXL]C:903 |
6 |
1 |
201 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
22060 |
99.4 |
1.4 |
0.473 |
5 |
0 |
0 |
0.003 |
| 14 |
23 |
|
D |
9 |
4 |
22246 |
◊ |
B |
x-1,y+1,z |
1_465 |
9 |
2 |
22125 |
78.0 |
0.9 |
0.788 |
0 |
2 |
0 |
0.000 |
| 15 |
24 |
|
C |
11 |
4 |
22060 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
22264 |
75.7 |
-0.7 |
0.493 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
A |
7 |
3 |
22264 |
◊ |
D |
x,y-1,z |
1_545 |
6 |
2 |
22246 |
54.0 |
-0.5 |
0.486 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[K]A:601 |
1 |
1 |
216 |
f |
[OXL]A:901 |
x,y,z |
1_555 |
5 |
1 |
202 |
49.8 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.092 |
| 18 |
27 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
22264 |
47.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.052 |
28 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
9 |
22060 |
44.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.052 |
29 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
22246 |
43.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.052 |
30 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
22125 |
42.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
44.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.052 |
| 19 |
31 |
|
[K]C:603 |
1 |
1 |
216 |
f |
[OXL]C:903 |
x,y,z |
1_555 |
4 |
1 |
201 |
44.0 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.070 |
| 20 |
32 |
|
[K]B:602 |
1 |
1 |
216 |
f |
[OXL]B:902 |
x,y,z |
1_555 |
4 |
1 |
199 |
41.6 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.117 |
33 |
|
[K]D:604 |
1 |
1 |
216 |
f |
[OXL]D:904 |
x,y,z |
1_555 |
4 |
1 |
199 |
40.0 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
40.8 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.117 |
| 21 |
34 |
|
D |
5 |
2 |
22246 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
22264 |
36.9 |
-0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
35 |
|
C |
3 |
1 |
22060 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22125 |
28.8 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
| Average: |
32.9 |
-0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
[K]D:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.045 |
| 23 |
37 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[K]B:602 |
x,y,z |
1_555 |
1 |
1 |
216 |
21.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.043 |
| 24 |
38 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
[K]C:603 |
x,y,z |
1_555 |
1 |
1 |
216 |
20.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.042 |
| 25 |
39 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
[K]A:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.037 |
| 26 |
40 |
|
[FBP]B:532 |
1 |
1 |
470 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
22246 |
8.0 |
-0.3 |
0.464 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
[OXL]D:904 |
x,y,z |
1_555 |
1 |
1 |
199 |
4.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 28 |
42 |
|
[MG]C:703 |
1 |
1 |
98 |
f |
[OXL]C:903 |
x,y,z |
1_555 |
1 |
1 |
201 |
3.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
| 29 |
43 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
[OXL]A:901 |
x,y,z |
1_555 |
1 |
1 |
202 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
44 |
|
[MG]B:702 |
1 |
1 |
98 |
f |
[OXL]B:902 |
x,y,z |
1_555 |
1 |
1 |
199 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 30 |
45 |
|
C |
1 |
1 |
22060 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
22246 |
2.0 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
|