| ## |
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 |
233 |
61 |
10017 |
◊ |
A |
x,y,z |
1_555 |
225 |
60 |
7286 |
2009.5 |
-25.9 |
0.258 |
21 |
3 |
0 |
0.338 |
| 2 |
2 |
|
D |
223 |
57 |
10052 |
◊ |
B |
x,y,z |
1_555 |
186 |
47 |
6236 |
1852.1 |
-27.8 |
0.167 |
17 |
1 |
0 |
0.343 |
| 3 |
3 |
|
D |
72 |
24 |
10052 |
◊ |
A |
x,y,z |
1_555 |
66 |
16 |
7286 |
613.1 |
-1.2 |
0.787 |
9 |
2 |
0 |
0.070 |
| 4 |
4 |
|
B |
68 |
22 |
6236 |
◊ |
A |
x,y,z |
1_555 |
67 |
22 |
7286 |
582.5 |
-4.1 |
0.664 |
7 |
0 |
0 |
0.162 |
| 5 |
5 |
|
[PEB]C:282 |
41 |
1 |
907 |
cf |
C |
x,y,z |
1_555 |
71 |
26 |
10017 |
571.9 |
-12.3 |
0.575 |
8 |
0 |
0 |
0.150 |
| 6 |
6 |
|
[PEB]D:282 |
41 |
1 |
905 |
cf |
D |
x,y,z |
1_555 |
71 |
27 |
10052 |
560.0 |
-12.4 |
0.556 |
6 |
0 |
0 |
0.193 |
| 7 |
7 |
|
[PEB]D:258 |
42 |
1 |
895 |
cf |
D |
x,y,z |
1_555 |
57 |
19 |
10052 |
480.5 |
-8.1 |
0.658 |
5 |
0 |
0 |
0.133 |
8 |
|
[PEB]C:258 |
42 |
1 |
891 |
cf |
C |
x,y,z |
1_555 |
61 |
20 |
10017 |
475.8 |
-8.7 |
0.615 |
5 |
0 |
0 |
0.133 |
| Average: |
478.2 |
-8.4 |
0.636 |
5 |
0 |
0 |
0.133 |
| 8 |
9 |
|
[DBV]B:219 |
38 |
1 |
897 |
cf |
B |
x,y,z |
1_555 |
62 |
16 |
6236 |
458.6 |
-9.5 |
0.710 |
7 |
0 |
0 |
0.283 |
| 9 |
10 |
|
[DBV]A:219 |
37 |
1 |
893 |
cf |
A |
x,y,z |
1_555 |
61 |
15 |
7286 |
439.1 |
-8.9 |
0.664 |
6 |
0 |
0 |
0.259 |
| 10 |
11 |
|
[PEB]C:250 |
42 |
1 |
935 |
cf |
C |
x,y,z |
1_555 |
49 |
19 |
10017 |
436.7 |
-9.7 |
0.318 |
5 |
0 |
0 |
0.142 |
12 |
|
[PEB]D:250 |
38 |
1 |
904 |
cf |
D |
x,y,z |
1_555 |
41 |
15 |
10052 |
419.5 |
-10.2 |
0.213 |
2 |
0 |
0 |
0.142 |
| Average: |
428.1 |
-9.9 |
0.265 |
4 |
0 |
0 |
0.142 |
| 11 |
13 |
|
D |
33 |
11 |
10052 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
7 |
10052 |
259.8 |
-0.2 |
0.695 |
3 |
2 |
0 |
0.000 |
| 12 |
14 |
|
[PEB]C:250 |
32 |
1 |
935 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
7286 |
248.9 |
-4.1 |
0.781 |
5 |
0 |
0 |
0.060 |
| 13 |
15 |
|
[PEB]C:258 |
14 |
1 |
891 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
7286 |
186.2 |
-2.2 |
0.724 |
2 |
0 |
0 |
0.029 |
| 14 |
16 |
|
D |
25 |
6 |
10052 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
5 |
10017 |
177.9 |
1.1 |
0.763 |
3 |
1 |
0 |
0.000 |
| 15 |
17 |
|
D |
15 |
5 |
10052 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
23 |
9 |
6236 |
176.5 |
1.2 |
0.800 |
2 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[PEB]D:258 |
15 |
1 |
895 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
6236 |
175.8 |
-2.3 |
0.758 |
1 |
0 |
0 |
0.026 |
| 17 |
19 |
|
D |
16 |
6 |
10052 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
8 |
10017 |
163.7 |
1.0 |
0.808 |
1 |
3 |
0 |
0.000 |
| 18 |
20 |
|
[DBV]B:219 |
17 |
1 |
897 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
10017 |
154.7 |
-3.5 |
0.496 |
0 |
0 |
0 |
0.046 |
21 |
|
[DBV]A:219 |
16 |
1 |
893 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
10052 |
150.4 |
-3.5 |
0.401 |
0 |
0 |
0 |
0.046 |
| Average: |
152.6 |
-3.5 |
0.449 |
0 |
0 |
0 |
0.046 |
| 19 |
22 |
|
[PEB]C:282 |
14 |
1 |
907 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
7286 |
152.8 |
-2.8 |
0.650 |
2 |
0 |
0 |
0.035 |
| 20 |
23 |
|
[PEB]D:282 |
13 |
1 |
905 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
6236 |
151.0 |
-2.9 |
0.666 |
2 |
0 |
0 |
0.036 |
| 21 |
24 |
|
C |
17 |
8 |
10017 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
6236 |
141.5 |
0.6 |
0.786 |
4 |
0 |
0 |
0.005 |
| 22 |
25 |
|
[DBV]A:219 |
18 |
1 |
893 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
6236 |
140.7 |
-3.8 |
0.350 |
0 |
0 |
0 |
0.085 |
| 23 |
26 |
|
D |
17 |
8 |
10052 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
6 |
7286 |
136.2 |
0.1 |
0.694 |
1 |
0 |
0 |
0.000 |
| 24 |
27 |
|
D |
17 |
7 |
10052 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
10 |
10017 |
126.5 |
1.8 |
0.831 |
1 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[PEB]D:250 |
19 |
1 |
904 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10017 |
125.4 |
-2.2 |
0.410 |
2 |
0 |
0 |
0.017 |
29 |
|
[PEB]C:250 |
5 |
1 |
935 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
10052 |
25.4 |
-1.3 |
0.098 |
0 |
0 |
0 |
0.017 |
| Average: |
75.4 |
-1.8 |
0.254 |
1 |
0 |
0 |
0.017 |
| 26 |
30 |
|
[DBV]B:219 |
19 |
1 |
897 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
7286 |
118.8 |
-2.5 |
0.574 |
0 |
0 |
0 |
0.056 |
| 27 |
31 |
|
[PEB]D:258 |
9 |
1 |
895 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
6 |
10017 |
96.2 |
-2.8 |
0.434 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
B |
8 |
4 |
6236 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
3 |
10017 |
92.8 |
-0.2 |
0.606 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
B |
8 |
1 |
6236 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
4 |
10017 |
87.9 |
-1.6 |
0.419 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
D |
9 |
3 |
10052 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
3 |
7286 |
76.3 |
-0.5 |
0.600 |
1 |
1 |
0 |
0.000 |
| 31 |
35 |
|
[DBV]A:219 |
5 |
1 |
893 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10017 |
73.9 |
-1.6 |
0.380 |
0 |
0 |
0 |
0.016 |
36 |
|
[DBV]B:219 |
4 |
1 |
897 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
10052 |
54.9 |
-1.4 |
0.442 |
0 |
0 |
0 |
0.016 |
| Average: |
64.4 |
-1.5 |
0.411 |
0 |
0 |
0 |
0.016 |
| 32 |
37 |
|
D |
11 |
4 |
10052 |
◊ |
[PEB]C:250 |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
1 |
935 |
65.9 |
-0.6 |
0.769 |
1 |
0 |
0 |
0.000 |
| 33 |
38 |
|
C |
12 |
4 |
10017 |
x |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
5 |
10017 |
64.4 |
0.5 |
0.773 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
A |
7 |
2 |
7286 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
10017 |
63.5 |
-0.5 |
0.555 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[PEB]D:250 |
4 |
1 |
904 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6236 |
61.9 |
-1.6 |
0.488 |
0 |
0 |
0 |
0.016 |
| 36 |
41 |
|
[PEB]D:250 |
6 |
1 |
904 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7286 |
61.9 |
-0.9 |
0.500 |
1 |
0 |
0 |
0.017 |
| 37 |
42 |
|
[PEB]D:250 |
7 |
1 |
904 |
◊ |
[PEB]C:250 |
x,y,z |
1_555 |
6 |
1 |
935 |
60.1 |
-0.6 |
0.856 |
0 |
0 |
0 |
0.002 |
| 38 |
43 |
|
D |
7 |
3 |
10052 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10017 |
53.3 |
-1.6 |
0.150 |
1 |
0 |
0 |
0.008 |
| 39 |
44 |
|
A |
6 |
2 |
7286 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
3 |
6236 |
48.9 |
0.2 |
0.727 |
0 |
0 |
0 |
0.000 |
| 40 |
45 |
|
B |
3 |
1 |
6236 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
10017 |
47.0 |
0.1 |
0.661 |
1 |
1 |
0 |
0.000 |
| 41 |
46 |
|
[MG]A:2001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
7286 |
43.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.108 |
| 42 |
47 |
|
[PEB]D:250 |
10 |
1 |
904 |
f |
[CL]C:3001 |
x,y,z |
1_555 |
1 |
1 |
125 |
41.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| 43 |
48 |
|
C |
3 |
2 |
10017 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
7286 |
41.6 |
-0.8 |
0.248 |
0 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[CL]C:3001 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10017 |
38.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.016 |
| 45 |
50 |
|
[PEB]D:282 |
4 |
1 |
905 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
4 |
1 |
6236 |
37.2 |
-0.3 |
0.684 |
1 |
0 |
0 |
0.000 |
| 46 |
51 |
|
D |
4 |
3 |
10052 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
7286 |
36.3 |
0.5 |
0.480 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[MG]D:2002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
10052 |
34.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.047 |
| 48 |
53 |
|
D |
2 |
1 |
10052 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10017 |
30.8 |
-1.0 |
0.084 |
0 |
0 |
0 |
0.000 |
| 49 |
54 |
|
B |
2 |
2 |
6236 |
x |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
3 |
1 |
6236 |
24.7 |
0.5 |
0.698 |
0 |
0 |
0 |
0.000 |
| 50 |
55 |
|
[CL]C:3001 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
7286 |
24.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.035 |
| 51 |
56 |
|
[MG]A:2001 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
10052 |
23.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| 52 |
57 |
|
C |
3 |
1 |
10017 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
6236 |
22.3 |
0.7 |
0.832 |
0 |
0 |
0 |
0.000 |
| 53 |
58 |
|
[MG]A:2001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
6236 |
19.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.047 |
| 54 |
59 |
|
[MG]D:2002 |
1 |
1 |
98 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
10017 |
11.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
60 |
|
[PEB]C:258 |
3 |
1 |
891 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
10052 |
10.5 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.000 |
| 56 |
61 |
|
[PEB]C:250 |
3 |
1 |
935 |
◊ |
[CL]C:3001 |
x,y,z |
1_555 |
1 |
1 |
125 |
9.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 57 |
62 |
|
[CL]C:3001 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
10052 |
6.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 58 |
63 |
|
D |
2 |
1 |
10052 |
◊ |
[DBV]B:219 |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
897 |
5.9 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
| 59 |
64 |
|
C |
2 |
1 |
10017 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
10017 |
4.1 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
| 60 |
65 |
|
D |
1 |
1 |
10052 |
x |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
10052 |
3.2 |
-0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
| 61 |
66 |
|
[PEB]C:258 |
2 |
1 |
891 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
6236 |
2.8 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
| 62 |
67 |
|
D |
1 |
1 |
10052 |
◊ |
[PEB]C:282 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
907 |
1.9 |
-0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| 63 |
68 |
|
B |
1 |
1 |
6236 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
7286 |
1.5 |
0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
| 64 |
69 |
|
[PEB]D:258 |
1 |
1 |
895 |
◊ |
[MG]A:2001 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|