## |
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 |
368 |
89 |
12792 |
◊ |
C |
x,y,z |
1_555 |
358 |
87 |
12560 |
3462.2 |
-46.6 |
0.023 |
46 |
17 |
0 |
1.000 |
2 |
|
B |
362 |
87 |
12733 |
◊ |
A |
x,y,z |
1_555 |
366 |
87 |
12652 |
3401.7 |
-46.7 |
0.023 |
44 |
20 |
0 |
1.000 |
3 |
|
J |
359 |
88 |
12517 |
◊ |
I |
x,y,z |
1_555 |
358 |
85 |
12745 |
3396.2 |
-45.3 |
0.034 |
46 |
18 |
0 |
1.000 |
4 |
|
H |
350 |
86 |
12687 |
◊ |
G |
x,y,z |
1_555 |
362 |
87 |
12752 |
3384.4 |
-41.9 |
0.037 |
45 |
14 |
0 |
1.000 |
5 |
|
F |
352 |
84 |
12655 |
◊ |
E |
x,y,z |
1_555 |
345 |
83 |
12693 |
3260.3 |
-42.5 |
0.041 |
41 |
12 |
0 |
1.000 |
Average: |
3381.0 |
-44.6 |
0.032 |
44 |
16 |
0 |
1.000 |
2 |
6 |
|
J |
80 |
22 |
12517 |
◊ |
A |
x,y,z |
1_555 |
82 |
22 |
12652 |
750.9 |
-8.2 |
0.299 |
8 |
0 |
0 |
0.149 |
7 |
|
I |
75 |
19 |
12745 |
◊ |
H |
x,y,z |
1_555 |
78 |
22 |
12687 |
745.4 |
-6.1 |
0.393 |
8 |
0 |
0 |
0.149 |
8 |
|
C |
79 |
22 |
12560 |
◊ |
B |
x,y,z |
1_555 |
79 |
22 |
12733 |
743.0 |
-7.7 |
0.317 |
8 |
0 |
0 |
0.149 |
9 |
|
G |
79 |
21 |
12752 |
◊ |
F |
x,y,z |
1_555 |
79 |
21 |
12655 |
727.9 |
-6.2 |
0.397 |
8 |
0 |
0 |
0.149 |
10 |
|
E |
75 |
20 |
12693 |
◊ |
D |
x,y,z |
1_555 |
76 |
23 |
12792 |
727.6 |
-6.4 |
0.343 |
8 |
0 |
0 |
0.149 |
Average: |
738.9 |
-6.9 |
0.350 |
8 |
0 |
0 |
0.149 |
3 |
11 |
|
I |
77 |
18 |
12745 |
◊ |
D |
x-1,y,z-1 |
1_454 |
75 |
17 |
12792 |
713.9 |
4.1 |
0.933 |
11 |
19 |
0 |
0.000 |
12 |
|
G |
72 |
17 |
12752 |
◊ |
B |
x,y-1,z-1 |
1_544 |
76 |
18 |
12733 |
706.0 |
4.3 |
0.934 |
12 |
25 |
0 |
0.000 |
Average: |
710.0 |
4.2 |
0.933 |
12 |
22 |
0 |
0.000 |
4 |
13 |
|
I |
43 |
10 |
12745 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
12652 |
424.7 |
-3.4 |
0.472 |
5 |
3 |
0 |
0.166 |
14 |
|
E |
47 |
14 |
12693 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12560 |
420.0 |
-4.2 |
0.394 |
5 |
3 |
0 |
0.166 |
15 |
|
H |
42 |
10 |
12687 |
◊ |
F |
x,y,z |
1_555 |
46 |
14 |
12655 |
418.5 |
-3.4 |
0.444 |
5 |
4 |
0 |
0.166 |
16 |
|
J |
49 |
14 |
12517 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
12733 |
413.5 |
-3.4 |
0.446 |
5 |
4 |
0 |
0.166 |
17 |
|
D |
40 |
10 |
12792 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
12733 |
411.9 |
-3.0 |
0.446 |
5 |
3 |
0 |
0.166 |
18 |
|
C |
48 |
14 |
12560 |
◊ |
A |
x,y,z |
1_555 |
41 |
10 |
12652 |
403.2 |
-3.2 |
0.494 |
5 |
3 |
0 |
0.166 |
19 |
|
I |
45 |
14 |
12745 |
◊ |
G |
x,y,z |
1_555 |
42 |
11 |
12752 |
402.7 |
-3.1 |
0.477 |
5 |
3 |
0 |
0.166 |
20 |
|
G |
44 |
14 |
12752 |
◊ |
E |
x,y,z |
1_555 |
42 |
11 |
12693 |
398.6 |
-5.2 |
0.272 |
5 |
3 |
0 |
0.166 |
21 |
|
J |
40 |
11 |
12517 |
◊ |
H |
x,y,z |
1_555 |
48 |
14 |
12687 |
396.8 |
-3.4 |
0.447 |
5 |
3 |
0 |
0.166 |
22 |
|
F |
41 |
10 |
12655 |
◊ |
D |
x,y,z |
1_555 |
43 |
14 |
12792 |
395.5 |
-4.9 |
0.307 |
5 |
4 |
0 |
0.166 |
Average: |
408.5 |
-3.7 |
0.420 |
5 |
3 |
0 |
0.166 |
5 |
23 |
|
F |
50 |
17 |
12655 |
◊ |
A |
x,y-1,z |
1_545 |
50 |
16 |
12652 |
413.3 |
-2.0 |
0.611 |
2 |
1 |
0 |
0.000 |
6 |
24 |
|
B |
38 |
13 |
12733 |
◊ |
C |
x-1,y,z |
1_455 |
46 |
18 |
12560 |
341.8 |
0.4 |
0.745 |
5 |
0 |
0 |
0.000 |
7 |
25 |
|
[MES]F:1002 |
11 |
1 |
338 |
◊ |
F |
x,y,z |
1_555 |
25 |
12 |
12655 |
151.8 |
4.4 |
0.100 |
0 |
0 |
0 |
0.000 |
8 |
26 |
|
H |
14 |
6 |
12687 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
17 |
8 |
12560 |
138.7 |
2.9 |
0.929 |
2 |
3 |
0 |
0.000 |
9 |
27 |
|
F |
15 |
6 |
12655 |
f |
[MES]A:1001 |
x,y-1,z |
1_545 |
12 |
1 |
338 |
129.1 |
2.8 |
0.070 |
0 |
0 |
0 |
0.000 |
10 |
28 |
|
[MES]A:1001 |
8 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
12652 |
93.1 |
3.3 |
0.251 |
0 |
0 |
0 |
0.000 |
11 |
29 |
|
H |
10 |
5 |
12687 |
◊ |
E |
x-1,y,z |
1_455 |
16 |
7 |
12693 |
77.9 |
-0.6 |
0.564 |
0 |
0 |
0 |
0.000 |
12 |
30 |
|
G |
7 |
2 |
12752 |
◊ |
A |
x,y-1,z-1 |
1_544 |
10 |
3 |
12652 |
73.8 |
0.9 |
0.796 |
0 |
0 |
0 |
0.000 |
31 |
|
I |
6 |
2 |
12745 |
◊ |
C |
x-1,y,z-1 |
1_454 |
10 |
3 |
12560 |
70.9 |
0.7 |
0.772 |
0 |
0 |
0 |
0.000 |
32 |
|
J |
8 |
3 |
12517 |
◊ |
D |
x-1,y,z-1 |
1_454 |
9 |
2 |
12792 |
69.6 |
1.1 |
0.802 |
0 |
0 |
0 |
0.000 |
33 |
|
H |
11 |
3 |
12687 |
◊ |
B |
x,y-1,z-1 |
1_544 |
7 |
2 |
12733 |
64.0 |
-0.4 |
0.510 |
0 |
0 |
0 |
0.000 |
Average: |
69.6 |
0.6 |
0.720 |
0 |
0 |
0 |
0.000 |
13 |
34 |
|
[IPA]F:2007 |
3 |
1 |
198 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
12655 |
73.2 |
2.7 |
0.283 |
0 |
0 |
0 |
0.000 |
14 |
35 |
|
[IPA]J:2002 |
3 |
1 |
195 |
◊ |
J |
x,y,z |
1_555 |
10 |
4 |
12517 |
70.8 |
2.5 |
0.282 |
0 |
0 |
0 |
0.000 |
15 |
36 |
|
[IPA]E:2006 |
4 |
1 |
196 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
12693 |
69.8 |
1.8 |
0.196 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
[IPA]H:2004 |
4 |
1 |
195 |
◊ |
H |
x,y,z |
1_555 |
11 |
6 |
12687 |
69.7 |
2.1 |
0.293 |
0 |
0 |
0 |
0.000 |
17 |
38 |
|
[IPA]D:2003 |
4 |
1 |
195 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
12792 |
69.3 |
2.2 |
0.298 |
1 |
0 |
0 |
0.000 |
18 |
39 |
|
[IPA]B:2005 |
3 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12733 |
66.7 |
2.2 |
0.302 |
0 |
0 |
0 |
0.000 |
40 |
|
[IPA]G:2008 |
3 |
1 |
195 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
12752 |
62.7 |
1.9 |
0.102 |
0 |
0 |
0 |
0.000 |
Average: |
64.7 |
2.0 |
0.202 |
0 |
0 |
0 |
0.000 |
19 |
41 |
|
[IPA]J:2001 |
3 |
1 |
195 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12652 |
65.7 |
2.4 |
0.299 |
0 |
0 |
0 |
0.000 |
20 |
42 |
|
[IPA]H:2009 |
3 |
1 |
196 |
◊ |
I |
x,y,z |
1_555 |
9 |
4 |
12745 |
64.9 |
2.1 |
0.309 |
0 |
0 |
0 |
0.000 |
21 |
43 |
|
[IPA]B:2005 |
3 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
12560 |
60.8 |
3.2 |
0.342 |
0 |
0 |
0 |
0.000 |
44 |
|
[IPA]G:2008 |
3 |
1 |
195 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
12655 |
57.8 |
3.1 |
0.242 |
0 |
0 |
0 |
0.000 |
Average: |
59.3 |
3.1 |
0.292 |
0 |
0 |
0 |
0.000 |
22 |
45 |
|
[IPA]H:2009 |
3 |
1 |
196 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
12687 |
59.5 |
3.1 |
0.339 |
0 |
0 |
0 |
0.000 |
23 |
46 |
|
[MES]F:1002 |
4 |
1 |
338 |
f |
A |
x,y-1,z |
1_545 |
9 |
3 |
12652 |
57.2 |
2.1 |
0.441 |
0 |
0 |
0 |
0.000 |
24 |
47 |
|
[IPA]H:2004 |
3 |
1 |
195 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
12745 |
55.8 |
2.9 |
0.343 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
J |
12 |
6 |
12517 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
5 |
12693 |
55.2 |
1.8 |
0.867 |
0 |
0 |
0 |
0.000 |
26 |
49 |
|
[IPA]D:2003 |
3 |
1 |
195 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
12693 |
55.2 |
2.7 |
0.338 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
[IPA]E:2006 |
3 |
1 |
196 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
12792 |
54.9 |
2.5 |
0.234 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
[IPA]J:2001 |
3 |
1 |
195 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
12517 |
54.4 |
2.1 |
0.336 |
1 |
0 |
0 |
0.000 |
29 |
52 |
|
J |
8 |
3 |
12517 |
◊ |
G |
x-1,y,z |
1_455 |
10 |
5 |
12752 |
51.0 |
0.3 |
0.685 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
[IPA]J:2002 |
3 |
1 |
195 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12652 |
50.2 |
2.0 |
0.958 |
1 |
0 |
0 |
0.000 |
31 |
54 |
|
[IPA]F:2007 |
3 |
1 |
198 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
12752 |
39.9 |
1.5 |
0.946 |
1 |
0 |
0 |
0.000 |
32 |
55 |
|
G |
3 |
1 |
12752 |
◊ |
D |
x,y-1,z-1 |
1_544 |
4 |
1 |
12792 |
37.7 |
1.0 |
0.869 |
1 |
3 |
0 |
0.000 |
56 |
|
G |
1 |
1 |
12752 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
12792 |
24.4 |
0.8 |
0.948 |
1 |
1 |
0 |
0.000 |
Average: |
31.1 |
0.9 |
0.909 |
1 |
2 |
0 |
0.000 |
33 |
57 |
|
[IPA]H:2009 |
3 |
1 |
196 |
◊ |
[IPA]H:2004 |
x,y,z |
1_555 |
3 |
1 |
195 |
37.6 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[IPA]E:2006 |
3 |
1 |
196 |
◊ |
[IPA]D:2003 |
x,y,z |
1_555 |
3 |
1 |
195 |
34.1 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.9 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
[IPA]J:2002 |
3 |
1 |
195 |
◊ |
[IPA]J:2001 |
x,y,z |
1_555 |
3 |
1 |
195 |
36.7 |
2.2 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[IPA]G:2008 |
3 |
1 |
195 |
◊ |
[IPA]F:2007 |
x,y,z |
1_555 |
3 |
1 |
198 |
35.9 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
H |
5 |
3 |
12687 |
◊ |
I |
x,y-1,z |
1_545 |
8 |
5 |
12745 |
26.8 |
-0.5 |
0.505 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
[IPA]B:2005 |
2 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12652 |
24.6 |
1.0 |
0.877 |
0 |
0 |
0 |
0.000 |
63 |
|
[IPA]G:2008 |
2 |
1 |
195 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
12687 |
22.0 |
0.9 |
0.872 |
0 |
0 |
0 |
0.000 |
Average: |
23.3 |
0.9 |
0.875 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
[IPA]J:2001 |
2 |
1 |
195 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
12733 |
22.8 |
0.8 |
0.871 |
0 |
0 |
0 |
0.000 |
39 |
65 |
|
[IPA]F:2007 |
2 |
1 |
198 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
12693 |
22.2 |
0.9 |
0.875 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
[IPA]H:2009 |
2 |
1 |
196 |
f |
J |
x,y,z |
1_555 |
3 |
1 |
12517 |
20.6 |
0.8 |
0.875 |
0 |
0 |
0 |
0.000 |
41 |
67 |
|
[IPA]E:2006 |
2 |
1 |
196 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
12655 |
20.2 |
0.8 |
0.848 |
0 |
0 |
0 |
0.000 |
42 |
68 |
|
[IPA]D:2003 |
2 |
1 |
195 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12560 |
19.6 |
0.8 |
0.879 |
0 |
0 |
0 |
0.000 |
43 |
69 |
|
[IPA]H:2004 |
2 |
1 |
195 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
12752 |
17.6 |
0.8 |
0.881 |
0 |
0 |
0 |
0.000 |
44 |
70 |
|
[IPA]J:2002 |
2 |
1 |
195 |
f |
I |
x,y,z |
1_555 |
3 |
1 |
12745 |
17.1 |
0.5 |
0.851 |
0 |
0 |
0 |
0.000 |
|