## |
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 |
|
H |
163 |
46 |
9911 |
◊ |
G |
x,y,z |
1_555 |
159 |
43 |
9988 |
1656.3 |
-41.1 |
0.149 |
4 |
0 |
0 |
0.875 |
2 |
|
D |
158 |
44 |
9943 |
◊ |
B |
x,y,z |
1_555 |
160 |
45 |
10062 |
1653.2 |
-42.4 |
0.093 |
5 |
1 |
0 |
0.875 |
3 |
|
C |
168 |
46 |
9978 |
◊ |
A |
x,y,z |
1_555 |
164 |
43 |
10057 |
1644.2 |
-40.7 |
0.184 |
5 |
0 |
0 |
0.875 |
4 |
|
D |
164 |
45 |
9943 |
◊ |
C |
x,y,z |
1_555 |
156 |
44 |
9978 |
1644.2 |
-40.2 |
0.181 |
4 |
1 |
0 |
0.875 |
5 |
|
H |
154 |
44 |
9911 |
◊ |
F |
x,y,z |
1_555 |
162 |
45 |
10043 |
1644.1 |
-41.9 |
0.100 |
5 |
0 |
0 |
0.875 |
6 |
|
G |
170 |
45 |
9988 |
◊ |
E |
x,y,z |
1_555 |
161 |
44 |
10015 |
1640.4 |
-40.6 |
0.166 |
5 |
1 |
0 |
0.875 |
7 |
|
F |
153 |
43 |
10043 |
◊ |
E |
x,y,z |
1_555 |
163 |
45 |
10015 |
1616.6 |
-39.3 |
0.153 |
7 |
0 |
0 |
0.875 |
8 |
|
B |
147 |
43 |
10062 |
◊ |
A |
x,y,z |
1_555 |
162 |
44 |
10057 |
1612.3 |
-39.2 |
0.137 |
7 |
0 |
0 |
0.875 |
Average: |
1638.9 |
-40.7 |
0.146 |
5 |
0 |
0 |
0.875 |
2 |
9 |
|
E |
41 |
17 |
10015 |
◊ |
A |
x,y,z |
1_555 |
46 |
19 |
10057 |
518.5 |
-13.9 |
0.067 |
0 |
0 |
0 |
0.541 |
3 |
10 |
|
F |
39 |
17 |
10043 |
◊ |
B |
x,y,z |
1_555 |
39 |
16 |
10062 |
411.2 |
-12.3 |
0.074 |
0 |
0 |
0 |
0.043 |
4 |
11 |
|
[POQ]A:600 |
23 |
1 |
881 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
10057 |
267.3 |
-8.1 |
0.485 |
0 |
0 |
0 |
0.315 |
5 |
12 |
|
H |
34 |
8 |
9911 |
◊ |
C |
x,y-1,z |
1_545 |
29 |
8 |
9978 |
261.7 |
-5.2 |
0.671 |
3 |
0 |
0 |
0.016 |
6 |
13 |
|
[POQ]A:600 |
21 |
1 |
881 |
f |
E |
x,y,z |
1_555 |
36 |
12 |
10015 |
260.6 |
-12.9 |
0.329 |
0 |
0 |
0 |
0.503 |
7 |
14 |
|
B |
23 |
8 |
10062 |
◊ |
A |
-x,y,-z |
5_555 |
21 |
7 |
10057 |
234.2 |
-2.2 |
0.819 |
2 |
0 |
0 |
0.027 |
15 |
|
D |
22 |
8 |
9943 |
◊ |
C |
-x,y,-z |
5_555 |
23 |
8 |
9978 |
220.7 |
-1.5 |
0.892 |
2 |
0 |
0 |
0.027 |
Average: |
227.4 |
-1.9 |
0.856 |
2 |
0 |
0 |
0.027 |
8 |
16 |
|
H |
29 |
9 |
9911 |
◊ |
G |
-y,-x,-z+1/4 |
8_555 |
25 |
7 |
9988 |
220.1 |
-0.9 |
0.941 |
3 |
0 |
0 |
0.025 |
17 |
|
F |
23 |
7 |
10043 |
◊ |
E |
-y,-x,-z+1/4 |
8_555 |
22 |
8 |
10015 |
217.0 |
-1.5 |
0.859 |
4 |
0 |
0 |
0.025 |
Average: |
218.6 |
-1.2 |
0.900 |
4 |
0 |
0 |
0.025 |
9 |
18 |
|
[BGL]A:609 |
13 |
1 |
451 |
f |
E |
x,y,z |
1_555 |
28 |
10 |
10015 |
186.3 |
3.7 |
0.416 |
0 |
0 |
0 |
0.000 |
19 |
|
[BGL]E:608 |
12 |
1 |
451 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
10057 |
181.1 |
3.8 |
0.473 |
0 |
0 |
0 |
0.000 |
Average: |
183.7 |
3.7 |
0.445 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
[AGA]G:639 |
15 |
1 |
481 |
f |
G |
x,y,z |
1_555 |
24 |
8 |
9988 |
180.2 |
0.6 |
0.277 |
0 |
0 |
0 |
0.000 |
21 |
|
[AGA]C:629 |
15 |
1 |
470 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
9978 |
168.4 |
0.8 |
0.287 |
0 |
0 |
0 |
0.000 |
Average: |
174.3 |
0.7 |
0.282 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
[BGL]B:605 |
16 |
1 |
489 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
10062 |
179.1 |
1.5 |
0.279 |
0 |
0 |
0 |
0.000 |
23 |
|
[BGL]B:604 |
15 |
1 |
487 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
10043 |
174.0 |
1.6 |
0.305 |
0 |
0 |
0 |
0.000 |
Average: |
176.5 |
1.5 |
0.292 |
0 |
0 |
0 |
0.000 |
12 |
24 |
|
[BGL]E:608 |
16 |
1 |
451 |
◊ |
E |
x,y,z |
1_555 |
23 |
8 |
10015 |
170.5 |
3.3 |
0.201 |
1 |
0 |
0 |
0.000 |
25 |
|
[BGL]A:609 |
16 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
10057 |
168.9 |
3.1 |
0.183 |
1 |
0 |
0 |
0.000 |
Average: |
169.7 |
3.2 |
0.192 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
[BGL]B:605 |
13 |
1 |
489 |
◊ |
F |
x,y,z |
1_555 |
19 |
8 |
10043 |
164.6 |
1.0 |
0.274 |
0 |
0 |
0 |
0.000 |
27 |
|
[BGL]B:604 |
13 |
1 |
487 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
10062 |
161.6 |
0.9 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
163.1 |
1.0 |
0.273 |
0 |
0 |
0 |
0.000 |
14 |
28 |
|
[PEE]A:612 |
9 |
1 |
355 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
10057 |
161.9 |
-1.0 |
0.439 |
0 |
0 |
0 |
0.005 |
29 |
|
[PEE]G:611 |
9 |
1 |
351 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
10015 |
159.5 |
-0.9 |
0.432 |
0 |
0 |
0 |
0.005 |
Average: |
160.7 |
-1.0 |
0.435 |
0 |
0 |
0 |
0.005 |
15 |
30 |
|
[POQ]A:600 |
17 |
1 |
881 |
◊ |
F |
x,y,z |
1_555 |
15 |
7 |
10043 |
145.7 |
-4.3 |
0.452 |
0 |
0 |
0 |
0.020 |
16 |
31 |
|
[POQ]A:600 |
17 |
1 |
881 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
10062 |
140.4 |
-1.7 |
0.571 |
0 |
0 |
0 |
0.004 |
17 |
32 |
|
[PEE]F:603 |
12 |
1 |
471 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
10043 |
134.5 |
-3.0 |
0.467 |
0 |
0 |
0 |
0.034 |
18 |
33 |
|
[PEE]B:602 |
12 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
10062 |
130.2 |
-3.0 |
0.481 |
0 |
0 |
0 |
0.033 |
19 |
34 |
|
[3PG]G:637 |
9 |
1 |
321 |
f |
G |
x,y,z |
1_555 |
20 |
8 |
9988 |
122.6 |
-3.0 |
0.705 |
0 |
0 |
0 |
0.037 |
20 |
35 |
|
[3PG]C:627 |
9 |
1 |
323 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
9978 |
121.6 |
-3.0 |
0.724 |
0 |
0 |
0 |
0.037 |
21 |
36 |
|
[PEE]A:612 |
9 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
9978 |
120.7 |
-2.8 |
0.273 |
0 |
0 |
0 |
0.036 |
37 |
|
[PEE]G:611 |
8 |
1 |
351 |
f |
G |
x,y,z |
1_555 |
18 |
5 |
9988 |
118.2 |
-2.8 |
0.286 |
0 |
0 |
0 |
0.036 |
Average: |
119.4 |
-2.8 |
0.280 |
0 |
0 |
0 |
0.036 |
22 |
38 |
|
D |
8 |
2 |
9943 |
◊ |
D |
-y,-x,-z+1/4 |
8_555 |
8 |
2 |
9943 |
117.6 |
-1.1 |
0.680 |
0 |
0 |
0 |
0.001 |
23 |
39 |
|
[PEE]E:613 |
11 |
1 |
537 |
◊ |
E |
x,y,z |
1_555 |
13 |
8 |
10015 |
113.9 |
-1.7 |
0.514 |
0 |
0 |
0 |
0.064 |
24 |
40 |
|
[PEE]B:602 |
8 |
1 |
471 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
9943 |
113.4 |
-2.9 |
0.379 |
0 |
0 |
0 |
0.015 |
25 |
41 |
|
[PEE]F:603 |
9 |
1 |
471 |
◊ |
E |
x,y,z |
1_555 |
13 |
7 |
10015 |
111.9 |
-1.5 |
0.528 |
0 |
0 |
0 |
0.007 |
26 |
42 |
|
[PEE]E:613 |
11 |
1 |
537 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
10057 |
111.0 |
-2.9 |
0.438 |
0 |
0 |
0 |
0.113 |
27 |
43 |
|
[PEE]B:602 |
8 |
1 |
471 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
10057 |
110.2 |
-1.3 |
0.575 |
0 |
0 |
0 |
0.007 |
28 |
44 |
|
[PEE]F:603 |
9 |
1 |
471 |
◊ |
H |
x,y,z |
1_555 |
11 |
7 |
9911 |
107.3 |
-2.8 |
0.394 |
0 |
0 |
0 |
0.013 |
29 |
45 |
|
H |
16 |
6 |
9911 |
◊ |
[AGA]C:629 |
x,y-1,z |
1_545 |
13 |
1 |
470 |
103.2 |
-0.0 |
0.214 |
0 |
0 |
0 |
0.000 |
30 |
46 |
|
G |
9 |
3 |
9988 |
◊ |
F |
-y,-x,-z+1/4 |
8_555 |
10 |
3 |
10043 |
101.3 |
-1.7 |
0.594 |
0 |
0 |
0 |
0.010 |
47 |
|
E |
11 |
4 |
10015 |
◊ |
E |
-y,-x,-z+1/4 |
8_555 |
11 |
4 |
10015 |
92.5 |
0.1 |
0.901 |
0 |
0 |
0 |
0.010 |
48 |
|
H |
9 |
3 |
9911 |
◊ |
H |
-y,-x,-z+1/4 |
8_555 |
9 |
3 |
9911 |
86.9 |
-1.3 |
0.681 |
0 |
0 |
0 |
0.010 |
Average: |
93.6 |
-1.0 |
0.725 |
0 |
0 |
0 |
0.010 |
31 |
49 |
|
A |
10 |
2 |
10057 |
◊ |
A |
-x,y,-z |
5_555 |
10 |
2 |
10057 |
98.6 |
0.2 |
0.906 |
0 |
0 |
0 |
0.003 |
50 |
|
C |
11 |
2 |
9978 |
◊ |
B |
-x,y,-z |
5_555 |
10 |
2 |
10062 |
97.6 |
-0.6 |
0.820 |
0 |
0 |
0 |
0.003 |
51 |
|
D |
11 |
2 |
9943 |
◊ |
D |
-x,y,-z |
5_555 |
11 |
2 |
9943 |
89.5 |
-0.3 |
0.881 |
0 |
0 |
0 |
0.003 |
Average: |
95.2 |
-0.2 |
0.869 |
0 |
0 |
0 |
0.003 |
32 |
52 |
|
[PEE]F:607 |
10 |
1 |
384 |
◊ |
F |
x,y,z |
1_555 |
16 |
3 |
10043 |
97.9 |
-0.2 |
0.687 |
0 |
0 |
0 |
0.001 |
53 |
|
[PEE]B:606 |
10 |
1 |
385 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
10062 |
96.8 |
-0.2 |
0.689 |
0 |
0 |
0 |
0.001 |
Average: |
97.3 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.001 |
33 |
54 |
|
[PEE]B:602 |
12 |
1 |
471 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
9978 |
94.7 |
-1.6 |
0.459 |
0 |
0 |
0 |
0.008 |
34 |
55 |
|
[PEE]F:603 |
12 |
1 |
471 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
9988 |
93.7 |
-1.7 |
0.410 |
0 |
0 |
0 |
0.008 |
35 |
56 |
|
H |
17 |
6 |
9911 |
◊ |
[3PG]C:627 |
x,y-1,z |
1_545 |
9 |
1 |
323 |
90.2 |
-0.7 |
0.767 |
0 |
0 |
0 |
0.002 |
36 |
57 |
|
B |
14 |
6 |
10062 |
◊ |
B |
-y,-x,-z+1/4 |
8_555 |
13 |
6 |
10062 |
89.1 |
1.4 |
0.969 |
2 |
0 |
0 |
0.000 |
37 |
58 |
|
[PO4]F:636 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
10043 |
81.7 |
-5.5 |
0.876 |
3 |
0 |
0 |
0.076 |
59 |
|
[PO4]B:626 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
10062 |
79.1 |
-5.2 |
0.894 |
3 |
0 |
0 |
0.076 |
Average: |
80.4 |
-5.3 |
0.885 |
3 |
0 |
0 |
0.076 |
38 |
60 |
|
[PEE]F:607 |
8 |
1 |
384 |
f |
[BGL]B:605 |
x,y,z |
1_555 |
7 |
1 |
489 |
72.4 |
-0.0 |
0.221 |
0 |
0 |
0 |
0.000 |
61 |
|
[PEE]B:606 |
8 |
1 |
385 |
f |
[BGL]B:604 |
x,y,z |
1_555 |
7 |
1 |
487 |
71.0 |
0.1 |
0.220 |
0 |
0 |
0 |
0.000 |
Average: |
71.7 |
0.0 |
0.221 |
0 |
0 |
0 |
0.000 |
39 |
62 |
|
[PEE]F:607 |
5 |
1 |
384 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
10062 |
62.2 |
-1.1 |
0.323 |
0 |
0 |
0 |
0.012 |
63 |
|
[PEE]B:606 |
5 |
1 |
385 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
10043 |
55.9 |
-0.8 |
0.421 |
0 |
0 |
0 |
0.012 |
Average: |
59.1 |
-0.9 |
0.372 |
0 |
0 |
0 |
0.012 |
40 |
64 |
|
F |
5 |
3 |
10043 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10057 |
55.8 |
-1.8 |
0.249 |
0 |
0 |
0 |
0.007 |
65 |
|
E |
7 |
3 |
10015 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10062 |
47.1 |
-1.5 |
0.217 |
0 |
0 |
0 |
0.007 |
Average: |
51.5 |
-1.6 |
0.233 |
0 |
0 |
0 |
0.007 |
41 |
66 |
|
[PO4]C:625 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
9978 |
51.1 |
-2.3 |
0.949 |
0 |
0 |
0 |
0.029 |
67 |
|
[PO4]G:635 |
4 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
9988 |
50.1 |
-2.4 |
0.939 |
0 |
0 |
0 |
0.029 |
Average: |
50.6 |
-2.3 |
0.944 |
0 |
0 |
0 |
0.029 |
42 |
68 |
|
[PO4]C:625 |
4 |
1 |
186 |
◊ |
D |
-x,y,-z |
5_555 |
5 |
3 |
9943 |
46.8 |
-1.8 |
0.961 |
0 |
0 |
0 |
0.009 |
43 |
69 |
|
[AGA]C:629 |
6 |
1 |
470 |
f |
[3PG]C:627 |
x,y,z |
1_555 |
3 |
1 |
323 |
44.8 |
-0.7 |
0.314 |
0 |
0 |
0 |
0.008 |
44 |
70 |
|
H |
4 |
1 |
9911 |
◊ |
F |
-y,-x,-z+1/4 |
8_555 |
5 |
1 |
10043 |
44.7 |
0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
71 |
|
G |
4 |
1 |
9988 |
◊ |
E |
-y,-x,-z+1/4 |
8_555 |
4 |
1 |
10015 |
38.2 |
-0.2 |
0.761 |
0 |
0 |
0 |
0.000 |
Average: |
41.4 |
-0.0 |
0.816 |
0 |
0 |
0 |
0.000 |
45 |
72 |
|
[AGA]G:639 |
5 |
1 |
481 |
f |
[3PG]G:637 |
x,y,z |
1_555 |
2 |
1 |
321 |
36.5 |
-0.5 |
0.308 |
0 |
0 |
0 |
0.007 |
46 |
73 |
|
D |
5 |
2 |
9943 |
◊ |
A |
-x,y,-z |
5_555 |
4 |
1 |
10057 |
29.9 |
0.7 |
0.936 |
0 |
0 |
0 |
0.000 |
74 |
|
B |
3 |
2 |
10062 |
◊ |
B |
-x,y,-z |
5_555 |
3 |
2 |
10062 |
19.8 |
0.4 |
0.913 |
0 |
0 |
0 |
0.000 |
75 |
|
C |
5 |
2 |
9978 |
◊ |
C |
-x,y,-z |
5_555 |
5 |
2 |
9978 |
19.4 |
-0.1 |
0.835 |
0 |
0 |
0 |
0.000 |
Average: |
23.0 |
0.3 |
0.895 |
0 |
0 |
0 |
0.000 |
47 |
76 |
|
G |
3 |
2 |
9988 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
10043 |
29.7 |
-1.0 |
0.271 |
0 |
0 |
0 |
0.009 |
77 |
|
C |
3 |
2 |
9978 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10062 |
29.1 |
-0.9 |
0.290 |
0 |
0 |
0 |
0.009 |
78 |
|
D |
3 |
2 |
9943 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10057 |
26.0 |
-0.8 |
0.324 |
0 |
0 |
0 |
0.009 |
79 |
|
H |
3 |
2 |
9911 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
10015 |
25.1 |
-0.8 |
0.336 |
0 |
0 |
0 |
0.009 |
Average: |
27.5 |
-0.9 |
0.305 |
0 |
0 |
0 |
0.009 |
48 |
80 |
|
D |
4 |
1 |
9943 |
◊ |
B |
-x,y,-z |
5_555 |
3 |
1 |
10062 |
23.3 |
0.1 |
0.850 |
0 |
0 |
0 |
0.000 |
81 |
|
C |
3 |
1 |
9978 |
◊ |
A |
-x,y,-z |
5_555 |
3 |
1 |
10057 |
18.7 |
-0.0 |
0.799 |
0 |
0 |
0 |
0.000 |
Average: |
21.0 |
0.0 |
0.824 |
0 |
0 |
0 |
0.000 |
49 |
82 |
|
[POQ]A:600 |
2 |
1 |
881 |
◊ |
[BGL]E:608 |
x,y,z |
1_555 |
1 |
1 |
451 |
20.9 |
0.4 |
0.668 |
0 |
0 |
0 |
0.000 |
50 |
83 |
|
[POQ]A:600 |
2 |
1 |
881 |
f |
[BGL]A:609 |
x,y,z |
1_555 |
1 |
1 |
451 |
20.6 |
0.4 |
0.668 |
0 |
0 |
0 |
0.000 |
51 |
84 |
|
[PO4]G:635 |
3 |
1 |
188 |
◊ |
H |
-y,-x,-z+1/4 |
8_555 |
2 |
2 |
9911 |
12.1 |
-0.8 |
0.687 |
0 |
0 |
0 |
0.004 |
|