## |
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 |
786 |
217 |
60885 |
◊ |
C |
x,y,z |
1_555 |
760 |
189 |
67268 |
7630.1 |
-85.5 |
0.001 |
95 |
31 |
0 |
0.948 |
2 |
|
J |
782 |
215 |
60242 |
◊ |
I |
x,y,z |
1_555 |
756 |
189 |
67702 |
7551.3 |
-88.2 |
0.000 |
92 |
27 |
0 |
0.948 |
Average: |
7590.7 |
-86.9 |
0.000 |
94 |
29 |
0 |
0.948 |
2 |
3 |
|
F |
265 |
72 |
31486 |
◊ |
D |
x,y,z |
1_555 |
272 |
82 |
60885 |
2612.6 |
-21.4 |
0.093 |
31 |
15 |
0 |
0.826 |
4 |
|
L |
261 |
71 |
31774 |
◊ |
J |
x,y,z |
1_555 |
275 |
79 |
60242 |
2603.5 |
-20.8 |
0.085 |
25 |
15 |
0 |
0.826 |
Average: |
2608.0 |
-21.1 |
0.089 |
28 |
15 |
0 |
0.826 |
3 |
5 |
|
B |
190 |
55 |
18430 |
◊ |
A |
x,y,z |
1_555 |
202 |
53 |
14444 |
2098.4 |
-23.0 |
0.058 |
17 |
6 |
0 |
1.000 |
4 |
6 |
|
F |
198 |
55 |
31486 |
◊ |
C |
x,y,z |
1_555 |
199 |
57 |
67268 |
1890.0 |
-24.2 |
0.041 |
7 |
1 |
0 |
1.000 |
7 |
|
L |
190 |
50 |
31774 |
◊ |
I |
x,y,z |
1_555 |
190 |
55 |
67702 |
1803.0 |
-23.4 |
0.042 |
7 |
1 |
0 |
1.000 |
Average: |
1846.5 |
-23.8 |
0.041 |
7 |
1 |
0 |
1.000 |
5 |
8 |
|
H |
159 |
43 |
13420 |
◊ |
G |
x,y,z |
1_555 |
167 |
44 |
14010 |
1731.4 |
-15.6 |
0.141 |
15 |
7 |
0 |
1.000 |
6 |
9 |
|
I |
173 |
52 |
67702 |
◊ |
G |
x,y,z |
1_555 |
193 |
54 |
14010 |
1675.8 |
-4.0 |
0.619 |
22 |
10 |
0 |
1.000 |
10 |
|
C |
172 |
52 |
67268 |
◊ |
A |
x,y,z |
1_555 |
179 |
50 |
14444 |
1606.7 |
-7.4 |
0.467 |
23 |
11 |
0 |
1.000 |
Average: |
1641.3 |
-5.7 |
0.543 |
23 |
11 |
0 |
1.000 |
7 |
11 |
|
J |
159 |
48 |
60242 |
◊ |
D |
x,y,z |
1_555 |
163 |
51 |
60885 |
1426.5 |
-11.9 |
0.279 |
6 |
0 |
0 |
0.000 |
8 |
12 |
|
K |
112 |
30 |
5995 |
◊ |
J |
x,y,z |
1_555 |
143 |
39 |
60242 |
1339.6 |
-11.3 |
0.157 |
10 |
6 |
0 |
0.689 |
13 |
|
E |
110 |
30 |
6807 |
◊ |
D |
x,y,z |
1_555 |
145 |
40 |
60885 |
1322.6 |
-12.1 |
0.197 |
8 |
6 |
0 |
0.689 |
Average: |
1331.1 |
-11.7 |
0.177 |
9 |
6 |
0 |
0.689 |
9 |
14 |
|
D |
95 |
25 |
60885 |
◊ |
B |
x,y,z |
1_555 |
96 |
27 |
18430 |
955.0 |
-1.8 |
0.669 |
8 |
10 |
0 |
0.026 |
10 |
15 |
|
H |
98 |
28 |
13420 |
◊ |
J |
x,y,z |
1_555 |
91 |
24 |
60242 |
911.9 |
-1.5 |
0.689 |
9 |
8 |
0 |
0.027 |
11 |
16 |
|
C |
104 |
31 |
67268 |
◊ |
I |
-x-1,y-1/2,-z-1/2 |
3_444 |
95 |
29 |
67702 |
868.7 |
1.6 |
0.804 |
8 |
10 |
0 |
0.000 |
12 |
17 |
|
C |
60 |
21 |
67268 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
65 |
23 |
31486 |
530.2 |
2.6 |
0.847 |
5 |
5 |
0 |
0.000 |
13 |
18 |
|
D |
55 |
16 |
60885 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
53 |
16 |
31774 |
518.6 |
1.1 |
0.781 |
3 |
0 |
0 |
0.000 |
19 |
|
F |
53 |
19 |
31486 |
◊ |
J |
-x-1,y-1/2,-z-1/2 |
3_444 |
45 |
15 |
60242 |
491.4 |
1.6 |
0.803 |
2 |
1 |
0 |
0.000 |
Average: |
505.0 |
1.3 |
0.792 |
3 |
1 |
0 |
0.000 |
14 |
20 |
|
C |
55 |
17 |
67268 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
42 |
10 |
6807 |
477.1 |
-3.7 |
0.356 |
3 |
0 |
0 |
0.000 |
15 |
21 |
|
D |
45 |
14 |
60885 |
◊ |
J |
-x-1,y-1/2,-z-1/2 |
3_444 |
43 |
13 |
60242 |
427.8 |
-2.3 |
0.502 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
D |
47 |
11 |
60885 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
36 |
9 |
31774 |
412.3 |
3.5 |
0.788 |
7 |
9 |
0 |
0.000 |
17 |
23 |
|
I |
41 |
12 |
67702 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
46 |
17 |
18430 |
383.5 |
4.1 |
0.906 |
5 |
1 |
0 |
0.000 |
18 |
24 |
|
F |
48 |
11 |
31486 |
◊ |
L |
x,y-1,z |
1_545 |
45 |
12 |
31774 |
376.4 |
1.4 |
0.788 |
2 |
6 |
0 |
0.000 |
19 |
25 |
|
[4C2]J:2004 |
32 |
1 |
699 |
f |
J |
x,y,z |
1_555 |
46 |
18 |
60242 |
364.1 |
1.2 |
0.174 |
2 |
0 |
0 |
0.000 |
26 |
|
[4C2]D:2004 |
30 |
1 |
693 |
f |
D |
x,y,z |
1_555 |
45 |
18 |
60885 |
359.7 |
1.2 |
0.192 |
1 |
0 |
0 |
0.000 |
Average: |
361.9 |
1.2 |
0.183 |
2 |
0 |
0 |
0.000 |
20 |
27 |
|
F |
33 |
11 |
31486 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
30 |
10 |
31774 |
328.0 |
1.1 |
0.764 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
J |
33 |
9 |
60242 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
34 |
10 |
18430 |
307.3 |
-1.9 |
0.491 |
3 |
1 |
0 |
0.000 |
22 |
29 |
|
C |
36 |
13 |
67268 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
28 |
7 |
60885 |
294.3 |
-2.6 |
0.370 |
1 |
4 |
0 |
0.000 |
23 |
30 |
|
B |
31 |
10 |
18430 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
29 |
11 |
14010 |
277.8 |
1.2 |
0.704 |
4 |
4 |
0 |
0.000 |
24 |
31 |
|
H |
28 |
8 |
13420 |
◊ |
I |
x,y,z |
1_555 |
33 |
11 |
67702 |
275.3 |
2.7 |
0.858 |
4 |
6 |
0 |
0.000 |
25 |
32 |
|
[4C2]J:2004 |
32 |
1 |
699 |
◊ |
I |
x,y,z |
1_555 |
32 |
12 |
67702 |
264.4 |
1.1 |
0.088 |
0 |
0 |
0 |
0.000 |
33 |
|
[4C2]D:2004 |
29 |
1 |
693 |
◊ |
C |
x,y,z |
1_555 |
30 |
11 |
67268 |
250.1 |
1.1 |
0.097 |
0 |
0 |
0 |
0.000 |
Average: |
257.3 |
1.1 |
0.093 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
C |
33 |
8 |
67268 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
18430 |
258.2 |
1.3 |
0.773 |
4 |
5 |
0 |
0.023 |
27 |
35 |
|
K |
19 |
6 |
5995 |
◊ |
I |
x,y,z |
1_555 |
35 |
9 |
67702 |
218.5 |
-0.2 |
0.559 |
2 |
0 |
0 |
0.007 |
36 |
|
E |
18 |
6 |
6807 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
67268 |
201.7 |
-0.1 |
0.617 |
3 |
0 |
0 |
0.007 |
Average: |
210.1 |
-0.2 |
0.588 |
3 |
0 |
0 |
0.007 |
28 |
37 |
|
C |
24 |
8 |
67268 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
19 |
8 |
13420 |
194.1 |
-0.9 |
0.519 |
1 |
1 |
0 |
0.000 |
29 |
38 |
|
I |
23 |
9 |
67702 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
10 |
14444 |
185.5 |
1.3 |
0.743 |
2 |
0 |
0 |
0.000 |
30 |
39 |
|
D |
12 |
4 |
60885 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
17 |
6 |
67702 |
95.1 |
0.5 |
0.696 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
B |
11 |
2 |
18430 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
67702 |
90.5 |
0.5 |
0.525 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
F |
13 |
5 |
31486 |
◊ |
I |
-x-1,y-1/2,-z-1/2 |
3_444 |
16 |
7 |
67702 |
90.1 |
1.0 |
0.766 |
2 |
0 |
0 |
0.000 |
42 |
|
C |
12 |
4 |
67268 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
14 |
4 |
31774 |
76.6 |
1.4 |
0.815 |
2 |
0 |
0 |
0.000 |
Average: |
83.3 |
1.2 |
0.791 |
2 |
0 |
0 |
0.000 |
33 |
43 |
|
[MG]D:2001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
60885 |
48.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.352 |
44 |
|
[MG]J:2001 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
60242 |
48.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.352 |
Average: |
48.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.352 |
34 |
45 |
|
C |
3 |
2 |
67268 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
31774 |
40.2 |
-0.7 |
0.299 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
C |
3 |
1 |
67268 |
◊ |
I |
x-1,y,z |
1_455 |
4 |
1 |
67702 |
21.4 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[MG]D:2001 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
67268 |
10.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
48 |
|
[MG]J:2001 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
67702 |
9.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
9.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
37 |
49 |
|
D |
3 |
2 |
60885 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14444 |
5.7 |
-0.1 |
0.546 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
F |
1 |
1 |
31486 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
60885 |
5.4 |
0.0 |
0.527 |
0 |
0 |
0 |
0.000 |
|