| ## |
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 |
|
D |
150 |
39 |
10975 |
◊ |
C |
x,y,z |
1_555 |
153 |
45 |
10212 |
1439.0 |
-24.7 |
0.030 |
8 |
4 |
0 |
0.882 |
2 |
|
H |
148 |
39 |
11150 |
◊ |
G |
x,y,z |
1_555 |
152 |
45 |
10190 |
1438.1 |
-24.7 |
0.024 |
6 |
4 |
0 |
0.882 |
3 |
|
B |
147 |
39 |
11167 |
◊ |
A |
x,y,z |
1_555 |
142 |
42 |
10082 |
1385.3 |
-22.0 |
0.032 |
7 |
4 |
0 |
0.882 |
4 |
|
F |
143 |
39 |
11205 |
◊ |
E |
x,y,z |
1_555 |
143 |
41 |
9775 |
1355.2 |
-21.4 |
0.048 |
8 |
4 |
0 |
0.882 |
| Average: |
1404.4 |
-23.2 |
0.034 |
7 |
4 |
0 |
0.882 |
| 2 |
5 |
|
G |
97 |
28 |
10190 |
◊ |
E |
x,y,z |
1_555 |
99 |
29 |
9775 |
944.3 |
-1.4 |
0.742 |
11 |
13 |
0 |
0.099 |
6 |
|
C |
96 |
29 |
10212 |
◊ |
A |
x,y,z |
1_555 |
96 |
28 |
10082 |
940.5 |
-3.1 |
0.590 |
10 |
12 |
0 |
0.099 |
| Average: |
942.4 |
-2.3 |
0.666 |
11 |
13 |
0 |
0.099 |
| 3 |
7 |
|
F |
86 |
18 |
11205 |
◊ |
H |
x-1,y,z-1 |
1_454 |
94 |
19 |
11150 |
796.9 |
1.5 |
0.887 |
4 |
8 |
0 |
0.000 |
8 |
|
B |
83 |
19 |
11167 |
◊ |
D |
x-1,y,z-1 |
1_454 |
76 |
17 |
10975 |
717.0 |
-2.1 |
0.740 |
2 |
5 |
0 |
0.000 |
| Average: |
757.0 |
-0.3 |
0.813 |
3 |
7 |
0 |
0.000 |
| 4 |
9 |
|
B |
61 |
19 |
11167 |
◊ |
C |
x,y,z |
1_555 |
66 |
25 |
10212 |
627.2 |
-8.8 |
0.148 |
3 |
0 |
0 |
0.612 |
10 |
|
D |
63 |
18 |
10975 |
◊ |
A |
x,y,z |
1_555 |
66 |
25 |
10082 |
626.3 |
-8.8 |
0.193 |
2 |
0 |
0 |
0.612 |
11 |
|
F |
63 |
18 |
11205 |
◊ |
G |
x,y,z |
1_555 |
64 |
24 |
10190 |
625.2 |
-10.0 |
0.103 |
3 |
0 |
0 |
0.612 |
12 |
|
H |
60 |
18 |
11150 |
◊ |
E |
x,y,z |
1_555 |
65 |
26 |
9775 |
621.6 |
-9.2 |
0.159 |
3 |
0 |
0 |
0.612 |
| Average: |
625.1 |
-9.2 |
0.151 |
3 |
0 |
0 |
0.612 |
| 5 |
13 |
|
G |
51 |
16 |
10190 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
10082 |
524.6 |
-6.6 |
0.196 |
0 |
0 |
0 |
0.000 |
| 6 |
14 |
|
F |
39 |
8 |
11205 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
36 |
12 |
10212 |
375.7 |
3.2 |
0.876 |
0 |
9 |
0 |
0.000 |
| 7 |
15 |
|
B |
43 |
13 |
11167 |
◊ |
C |
x-1,y,z |
1_455 |
36 |
11 |
10212 |
372.8 |
-2.6 |
0.465 |
0 |
0 |
0 |
0.000 |
| 8 |
16 |
|
G |
34 |
7 |
10190 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
34 |
10 |
10082 |
287.5 |
0.8 |
0.753 |
0 |
0 |
0 |
0.000 |
| 9 |
17 |
|
B |
28 |
10 |
11167 |
◊ |
H |
x-1,y,z-1 |
1_454 |
29 |
10 |
11150 |
240.9 |
-1.0 |
0.604 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
E |
20 |
8 |
9775 |
◊ |
H |
x,y,z-1 |
1_554 |
23 |
8 |
11150 |
203.3 |
-2.0 |
0.351 |
0 |
1 |
0 |
0.000 |
| 11 |
19 |
|
F |
20 |
10 |
11205 |
◊ |
G |
x,y,z-1 |
1_554 |
12 |
6 |
10190 |
136.7 |
-1.8 |
0.289 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
F |
15 |
5 |
11205 |
◊ |
H |
x,y,z-1 |
1_554 |
20 |
6 |
11150 |
134.1 |
-1.9 |
0.315 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[PEG]H:301 |
7 |
1 |
258 |
f |
H |
x,y,z |
1_555 |
19 |
8 |
11150 |
122.6 |
2.4 |
0.322 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[PEG]B:301 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
11167 |
120.8 |
1.9 |
0.282 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[PEG]F:301 |
7 |
1 |
260 |
◊ |
F |
x,y,z |
1_555 |
13 |
8 |
11205 |
117.4 |
1.5 |
0.210 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[PEG]B:302 |
6 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
11167 |
104.7 |
2.5 |
0.298 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[PEG]C:301 |
6 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
10212 |
101.0 |
1.4 |
0.254 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[GOL]F:302 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
14 |
8 |
11205 |
98.3 |
-1.1 |
0.479 |
0 |
0 |
0 |
0.100 |
| 19 |
27 |
|
[PO4]E:302 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
9775 |
88.9 |
-5.1 |
0.834 |
0 |
0 |
0 |
0.191 |
| 20 |
28 |
|
[PO4]B:303 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
10212 |
88.5 |
-4.8 |
0.837 |
0 |
0 |
0 |
0.143 |
| 21 |
29 |
|
[PO4]A:301 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
10082 |
87.1 |
-4.9 |
0.838 |
0 |
0 |
0 |
0.281 |
| 22 |
30 |
|
[PO4]G:301 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
10190 |
85.7 |
-4.9 |
0.819 |
0 |
0 |
0 |
0.263 |
| 23 |
31 |
|
A |
9 |
4 |
10082 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
3 |
10975 |
84.7 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
E |
14 |
4 |
9775 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
10212 |
78.3 |
-1.2 |
0.429 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[PO4]H:302 |
4 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
11150 |
68.0 |
-3.3 |
0.889 |
0 |
0 |
0 |
0.367 |
| 26 |
34 |
|
H |
8 |
4 |
11150 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
11167 |
64.2 |
1.6 |
0.870 |
0 |
1 |
0 |
0.000 |
| 27 |
35 |
|
[PO4]B:303 |
5 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11167 |
61.0 |
-2.6 |
0.885 |
0 |
0 |
0 |
0.028 |
| 28 |
36 |
|
[PO4]A:301 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
10975 |
56.8 |
-2.8 |
0.853 |
0 |
0 |
0 |
0.162 |
| 29 |
37 |
|
G |
4 |
2 |
10190 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
10212 |
55.8 |
0.7 |
0.745 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[PO4]G:301 |
4 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
11205 |
55.7 |
-2.4 |
0.879 |
1 |
0 |
0 |
0.153 |
| 31 |
39 |
|
[PO4]E:302 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
11150 |
54.5 |
-2.6 |
0.840 |
1 |
0 |
0 |
0.112 |
| 32 |
40 |
|
D |
6 |
1 |
10975 |
◊ |
G |
x,y,z |
1_555 |
7 |
1 |
10190 |
49.9 |
0.0 |
0.645 |
0 |
2 |
0 |
0.000 |
| 33 |
41 |
|
[CL]E:301 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
3 |
9775 |
49.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.232 |
| 34 |
42 |
|
[CL]E:301 |
1 |
1 |
125 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
10212 |
44.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
43 |
|
E |
7 |
4 |
9775 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
4 |
10975 |
43.6 |
-0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
B |
2 |
1 |
11167 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
10975 |
35.0 |
0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
| 37 |
45 |
|
[PEG]B:302 |
3 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10082 |
32.9 |
0.1 |
0.112 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[PEG]F:301 |
4 |
1 |
260 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
9775 |
31.4 |
0.6 |
0.144 |
0 |
0 |
0 |
0.000 |
| 39 |
47 |
|
H |
4 |
3 |
11150 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
2 |
10975 |
30.1 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[PEG]B:302 |
1 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
10212 |
23.7 |
-0.9 |
0.217 |
0 |
0 |
0 |
0.026 |
| 41 |
49 |
|
E |
3 |
3 |
9775 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
10082 |
23.6 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
| 42 |
50 |
|
C |
5 |
4 |
10212 |
◊ |
H |
x-1,y,z-1 |
1_454 |
2 |
2 |
11150 |
21.7 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
| 43 |
51 |
|
F |
2 |
1 |
11205 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10975 |
16.8 |
-0.5 |
0.213 |
0 |
0 |
0 |
0.000 |
| 44 |
52 |
|
[PEG]B:302 |
2 |
1 |
260 |
◊ |
H |
x-1,y,z-1 |
1_454 |
4 |
2 |
11150 |
14.3 |
0.2 |
0.371 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
F |
3 |
1 |
11205 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10082 |
10.6 |
-0.1 |
0.567 |
0 |
0 |
0 |
0.000 |
| 46 |
54 |
|
[PEG]F:301 |
2 |
1 |
260 |
f |
G |
x,y,z |
1_555 |
3 |
2 |
10190 |
10.6 |
0.1 |
0.307 |
0 |
0 |
0 |
0.000 |
| 47 |
55 |
|
[PO4]H:302 |
2 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
9775 |
10.4 |
-0.4 |
0.874 |
0 |
0 |
0 |
0.015 |
| 48 |
56 |
|
G |
1 |
1 |
10190 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
9775 |
9.5 |
0.3 |
0.826 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[CL]E:301 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
10190 |
8.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
| 50 |
58 |
|
[PO4]H:302 |
2 |
1 |
189 |
◊ |
[PO4]E:302 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.3 |
-0.6 |
0.876 |
0 |
0 |
0 |
0.024 |
| 51 |
59 |
|
[CL]E:301 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
10082 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|