| ## |
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 |
113 |
29 |
8275 |
◊ |
A |
x,y,z |
1_555 |
130 |
34 |
8772 |
1130.5 |
-9.3 |
0.368 |
19 |
7 |
0 |
0.517 |
2 |
|
H |
113 |
27 |
8441 |
◊ |
G |
x,y,z |
1_555 |
122 |
32 |
8595 |
1124.3 |
-9.8 |
0.336 |
20 |
7 |
0 |
0.517 |
3 |
|
D |
115 |
28 |
8307 |
◊ |
C |
x,y,z |
1_555 |
128 |
32 |
8669 |
1123.0 |
-9.6 |
0.332 |
18 |
7 |
0 |
0.517 |
4 |
|
F |
111 |
28 |
8418 |
◊ |
E |
x,y,z |
1_555 |
121 |
33 |
8636 |
1121.9 |
-7.9 |
0.420 |
19 |
8 |
0 |
0.517 |
5 |
|
H |
115 |
33 |
8441 |
◊ |
E |
x,y,z |
1_555 |
104 |
28 |
8636 |
1052.5 |
-9.3 |
0.294 |
18 |
6 |
0 |
0.517 |
6 |
|
G |
100 |
27 |
8595 |
◊ |
F |
x,y,z |
1_555 |
110 |
32 |
8418 |
1045.2 |
-9.1 |
0.273 |
17 |
5 |
0 |
0.517 |
7 |
|
C |
94 |
24 |
8669 |
◊ |
B |
x,y,z |
1_555 |
102 |
27 |
8275 |
976.1 |
-8.8 |
0.284 |
17 |
8 |
0 |
0.517 |
8 |
|
D |
104 |
27 |
8307 |
◊ |
A |
x,y,z |
1_555 |
98 |
24 |
8772 |
969.8 |
-9.2 |
0.252 |
16 |
7 |
0 |
0.517 |
| Average: |
1067.9 |
-9.1 |
0.320 |
18 |
7 |
0 |
0.517 |
| 2 |
9 |
|
A |
74 |
20 |
8772 |
◊ |
C |
-y+1/2,x-1/2,z+1/4 |
3_545 |
76 |
23 |
8669 |
611.9 |
0.8 |
0.800 |
6 |
4 |
0 |
0.000 |
| 3 |
10 |
|
F |
27 |
9 |
8418 |
◊ |
D |
x,y,z |
1_555 |
29 |
9 |
8307 |
273.2 |
-6.3 |
0.076 |
0 |
0 |
0 |
0.072 |
11 |
|
E |
32 |
10 |
8636 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
8772 |
253.8 |
-5.9 |
0.129 |
0 |
0 |
0 |
0.072 |
12 |
|
H |
31 |
9 |
8441 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
8275 |
248.0 |
-5.8 |
0.123 |
0 |
0 |
0 |
0.072 |
13 |
|
G |
28 |
9 |
8595 |
◊ |
C |
x,y,z |
1_555 |
28 |
9 |
8669 |
243.6 |
-5.8 |
0.107 |
0 |
0 |
0 |
0.072 |
| Average: |
254.6 |
-5.9 |
0.108 |
0 |
0 |
0 |
0.072 |
| 4 |
14 |
|
A |
21 |
9 |
8772 |
◊ |
C |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
24 |
8 |
8669 |
178.1 |
0.6 |
0.711 |
1 |
0 |
0 |
0.000 |
| 5 |
15 |
|
F |
21 |
6 |
8418 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
8669 |
158.2 |
-3.1 |
0.235 |
0 |
0 |
0 |
0.038 |
16 |
|
H |
17 |
6 |
8441 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
8772 |
155.9 |
-3.1 |
0.230 |
0 |
0 |
0 |
0.038 |
17 |
|
E |
17 |
6 |
8636 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
8307 |
155.4 |
-3.3 |
0.191 |
0 |
0 |
0 |
0.038 |
18 |
|
G |
17 |
6 |
8595 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
8275 |
153.0 |
-3.2 |
0.209 |
0 |
0 |
0 |
0.038 |
| Average: |
155.6 |
-3.1 |
0.216 |
0 |
0 |
0 |
0.038 |
| 6 |
19 |
|
H |
14 |
4 |
8441 |
◊ |
D |
-y,-x+1,-z-1/2 |
8_564 |
16 |
4 |
8307 |
147.4 |
0.4 |
0.716 |
1 |
1 |
0 |
0.000 |
| 7 |
20 |
|
H |
11 |
4 |
8441 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
10 |
3 |
8418 |
82.4 |
-1.3 |
0.357 |
0 |
0 |
0 |
0.000 |
| 8 |
21 |
|
[CL]G:189 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
16 |
8 |
8595 |
70.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.173 |
22 |
|
[CL]H:189 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
8441 |
62.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.173 |
23 |
|
[CL]D:205 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
8307 |
59.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.173 |
24 |
|
[CL]F:189 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
8418 |
57.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.173 |
25 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
8275 |
57.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.173 |
| Average: |
61.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.173 |
| 9 |
26 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8772 |
55.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.207 |
27 |
|
[MG]C:203 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
8669 |
55.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.207 |
28 |
|
[MG]E:205 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
8636 |
48.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.207 |
29 |
|
[MG]G:207 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
8595 |
43.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.207 |
30 |
|
[MG]H:208 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
6 |
8441 |
40.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.207 |
31 |
|
[MG]D:204 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
8307 |
39.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.207 |
32 |
|
[MG]F:206 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
8418 |
38.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.207 |
33 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8275 |
38.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.207 |
| Average: |
45.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.207 |
| 10 |
34 |
|
[CL]B:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8772 |
26.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.052 |
35 |
|
[CL]D:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8669 |
26.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.052 |
36 |
|
[CL]F:189 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
8636 |
26.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.052 |
37 |
|
[CL]H:189 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
8595 |
24.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.052 |
38 |
|
[CL]G:189 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
8418 |
14.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
23.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.052 |
| 11 |
39 |
|
D |
1 |
1 |
8307 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8275 |
25.5 |
-0.8 |
0.087 |
0 |
0 |
0 |
0.006 |
40 |
|
H |
3 |
2 |
8441 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
8418 |
21.6 |
-0.6 |
0.304 |
0 |
0 |
0 |
0.006 |
41 |
|
C |
1 |
1 |
8669 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8772 |
2.8 |
-0.1 |
0.400 |
0 |
0 |
0 |
0.006 |
| Average: |
16.7 |
-0.5 |
0.264 |
0 |
0 |
0 |
0.006 |
| 12 |
42 |
|
[MG]D:204 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8669 |
25.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.072 |
43 |
|
[MG]H:208 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8595 |
24.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.072 |
44 |
|
[MG]B:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8772 |
24.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.072 |
45 |
|
[MG]F:206 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
8636 |
24.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.072 |
46 |
|
[MG]E:205 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
8441 |
21.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.072 |
47 |
|
[MG]G:207 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
8418 |
20.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.072 |
48 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8307 |
13.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.072 |
49 |
|
[MG]C:203 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8275 |
12.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.072 |
| Average: |
20.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.072 |
| 13 |
50 |
|
A |
3 |
1 |
8772 |
◊ |
B |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
3 |
2 |
8275 |
22.3 |
0.8 |
0.836 |
0 |
0 |
0 |
0.000 |
| 14 |
51 |
|
F |
1 |
1 |
8418 |
◊ |
H |
-x+1/2,y-1/2,-z-3/4 |
5_544 |
3 |
2 |
8441 |
21.5 |
-0.5 |
0.209 |
0 |
0 |
0 |
0.000 |
| 15 |
52 |
|
E |
3 |
1 |
8636 |
◊ |
B |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
2 |
1 |
8275 |
16.8 |
-0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
| 16 |
53 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
[MG]B:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| 17 |
54 |
|
[CL]G:189 |
1 |
1 |
125 |
f |
[MG]G:207 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.018 |
| 18 |
55 |
|
[CL]F:189 |
1 |
1 |
125 |
f |
[MG]F:206 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.018 |
| 19 |
56 |
|
[CL]D:205 |
1 |
1 |
125 |
f |
[MG]D:204 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 20 |
57 |
|
[CL]H:189 |
1 |
1 |
125 |
f |
[MG]H:208 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 21 |
58 |
|
F |
3 |
2 |
8418 |
◊ |
G |
-x+1/2,y-1/2,-z-3/4 |
5_544 |
1 |
1 |
8595 |
8.4 |
-0.2 |
0.347 |
0 |
0 |
0 |
0.000 |
|