## |
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 |
|
K |
139 |
34 |
6803 |
◊ |
I |
x,y,z |
1_555 |
141 |
38 |
5989 |
1450.9 |
-26.5 |
0.055 |
16 |
3 |
0 |
0.464 |
2 |
|
L |
135 |
34 |
6800 |
◊ |
J |
x,y,z |
1_555 |
140 |
37 |
6097 |
1420.2 |
-25.2 |
0.073 |
15 |
3 |
0 |
0.464 |
3 |
|
G |
135 |
33 |
6808 |
◊ |
E |
x,y,z |
1_555 |
139 |
37 |
6133 |
1410.2 |
-25.2 |
0.056 |
15 |
3 |
0 |
0.464 |
4 |
|
D |
135 |
34 |
6799 |
◊ |
B |
x,y,z |
1_555 |
137 |
37 |
6038 |
1404.5 |
-25.8 |
0.057 |
14 |
3 |
0 |
0.464 |
5 |
|
C |
133 |
32 |
6462 |
◊ |
A |
x,y,z |
1_555 |
136 |
38 |
5982 |
1368.0 |
-24.5 |
0.062 |
15 |
3 |
0 |
0.464 |
6 |
|
H |
136 |
31 |
6456 |
◊ |
F |
x,y,z |
1_555 |
135 |
38 |
5967 |
1365.3 |
-24.6 |
0.058 |
15 |
3 |
0 |
0.464 |
Average: |
1403.2 |
-25.3 |
0.060 |
15 |
3 |
0 |
0.464 |
2 |
7 |
|
G |
40 |
13 |
6808 |
◊ |
F |
x,y,z |
1_555 |
44 |
13 |
5967 |
426.9 |
-2.7 |
0.465 |
9 |
1 |
0 |
0.102 |
8 |
|
K |
41 |
14 |
6803 |
◊ |
J |
x,y,z |
1_555 |
44 |
13 |
6097 |
424.9 |
-2.6 |
0.521 |
8 |
2 |
0 |
0.102 |
9 |
|
C |
46 |
14 |
6462 |
◊ |
B |
x,y,z |
1_555 |
44 |
13 |
6038 |
416.3 |
-3.3 |
0.404 |
8 |
2 |
0 |
0.102 |
10 |
|
H |
44 |
14 |
6456 |
◊ |
E |
x,y,z |
1_555 |
44 |
13 |
6133 |
415.2 |
-2.9 |
0.465 |
8 |
2 |
0 |
0.102 |
11 |
|
L |
43 |
15 |
6800 |
◊ |
I |
x,y,z |
1_555 |
45 |
13 |
5989 |
415.0 |
-2.8 |
0.504 |
7 |
2 |
0 |
0.102 |
12 |
|
D |
41 |
13 |
6799 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
5982 |
411.6 |
-3.1 |
0.459 |
8 |
2 |
0 |
0.102 |
Average: |
418.3 |
-2.9 |
0.470 |
8 |
2 |
0 |
0.102 |
3 |
13 |
|
L |
39 |
12 |
6800 |
◊ |
H |
x,y,z |
1_555 |
37 |
12 |
6456 |
376.5 |
-2.5 |
0.517 |
4 |
4 |
0 |
0.000 |
14 |
|
K |
38 |
12 |
6803 |
◊ |
C |
x,y-1,z |
1_545 |
39 |
12 |
6462 |
374.6 |
-2.9 |
0.493 |
4 |
4 |
0 |
0.000 |
Average: |
375.5 |
-2.7 |
0.505 |
4 |
4 |
0 |
0.000 |
4 |
15 |
|
F |
41 |
12 |
5967 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
11 |
6808 |
355.5 |
-0.4 |
0.646 |
2 |
2 |
0 |
0.000 |
16 |
|
D |
38 |
11 |
6799 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
43 |
12 |
5982 |
343.3 |
-2.0 |
0.618 |
3 |
2 |
0 |
0.000 |
Average: |
349.4 |
-1.2 |
0.632 |
3 |
2 |
0 |
0.000 |
5 |
17 |
|
B |
28 |
10 |
6038 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
5982 |
323.8 |
-6.5 |
0.198 |
0 |
0 |
0 |
0.034 |
18 |
|
J |
30 |
11 |
6097 |
◊ |
I |
x,y,z |
1_555 |
31 |
11 |
5989 |
322.0 |
-5.0 |
0.322 |
1 |
0 |
0 |
0.034 |
19 |
|
F |
27 |
11 |
5967 |
◊ |
E |
x,y,z |
1_555 |
30 |
11 |
6133 |
317.7 |
-6.2 |
0.194 |
0 |
0 |
0 |
0.034 |
Average: |
321.1 |
-5.9 |
0.238 |
0 |
0 |
0 |
0.034 |
6 |
20 |
|
L |
25 |
8 |
6800 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
6808 |
240.1 |
-2.2 |
0.464 |
2 |
0 |
0 |
0.000 |
21 |
|
K |
26 |
8 |
6803 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
27 |
8 |
6799 |
238.0 |
-3.9 |
0.323 |
1 |
0 |
0 |
0.000 |
Average: |
239.0 |
-3.1 |
0.394 |
2 |
0 |
0 |
0.000 |
7 |
22 |
|
I |
18 |
6 |
5989 |
◊ |
C |
x,y-1,z |
1_545 |
26 |
7 |
6462 |
229.9 |
1.4 |
0.557 |
4 |
4 |
0 |
0.000 |
23 |
|
H |
27 |
8 |
6456 |
◊ |
J |
x,y,z |
1_555 |
18 |
6 |
6097 |
223.5 |
1.4 |
0.570 |
3 |
3 |
0 |
0.000 |
24 |
|
K |
23 |
8 |
6803 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
6 |
5982 |
216.7 |
-0.0 |
0.604 |
4 |
5 |
0 |
0.000 |
25 |
|
L |
27 |
8 |
6800 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
5967 |
216.0 |
0.2 |
0.568 |
5 |
4 |
0 |
0.000 |
Average: |
221.5 |
0.7 |
0.575 |
4 |
4 |
0 |
0.000 |
8 |
26 |
|
I |
17 |
5 |
5989 |
◊ |
E |
x,y-1,z |
1_545 |
18 |
6 |
6133 |
182.2 |
-1.4 |
0.538 |
2 |
0 |
0 |
0.000 |
27 |
|
J |
18 |
6 |
6097 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
6038 |
181.9 |
-1.1 |
0.588 |
2 |
0 |
0 |
0.000 |
Average: |
182.1 |
-1.2 |
0.563 |
2 |
0 |
0 |
0.000 |
9 |
28 |
|
A |
17 |
5 |
5982 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
5 |
6799 |
132.1 |
-0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
10 |
29 |
|
D |
8 |
2 |
6799 |
x |
D |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
6 |
6799 |
106.7 |
0.8 |
0.754 |
1 |
4 |
0 |
0.000 |
30 |
|
G |
11 |
5 |
6808 |
x |
G |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
6808 |
106.3 |
0.9 |
0.759 |
1 |
4 |
0 |
0.000 |
Average: |
106.5 |
0.9 |
0.756 |
1 |
4 |
0 |
0.000 |
11 |
31 |
|
L |
13 |
4 |
6800 |
◊ |
K |
x,y,z |
1_555 |
14 |
5 |
6803 |
104.5 |
-0.8 |
0.561 |
0 |
0 |
0 |
0.007 |
32 |
|
H |
14 |
5 |
6456 |
◊ |
G |
x,y,z |
1_555 |
13 |
4 |
6808 |
88.1 |
0.0 |
0.645 |
0 |
0 |
0 |
0.007 |
33 |
|
D |
14 |
4 |
6799 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
6462 |
85.6 |
-1.4 |
0.424 |
0 |
0 |
0 |
0.007 |
Average: |
92.8 |
-0.7 |
0.544 |
0 |
0 |
0 |
0.007 |
12 |
34 |
|
[FLC]F:2008 |
8 |
1 |
303 |
◊ |
L |
x,y,z |
1_555 |
12 |
4 |
6800 |
80.1 |
0.3 |
0.459 |
1 |
0 |
0 |
0.000 |
13 |
35 |
|
B |
9 |
2 |
6038 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
12 |
3 |
5982 |
79.7 |
1.3 |
0.854 |
0 |
0 |
0 |
0.000 |
14 |
36 |
|
[FLC]F:2008 |
7 |
1 |
303 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
6456 |
71.2 |
1.2 |
0.725 |
2 |
0 |
0 |
0.000 |
15 |
37 |
|
B |
8 |
3 |
6038 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
4 |
5982 |
66.9 |
-1.0 |
0.516 |
0 |
0 |
0 |
0.000 |
38 |
|
F |
7 |
3 |
5967 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
6133 |
62.9 |
-0.9 |
0.523 |
0 |
0 |
0 |
0.000 |
Average: |
64.9 |
-1.0 |
0.519 |
0 |
0 |
0 |
0.000 |
16 |
39 |
|
H |
6 |
2 |
6456 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
6808 |
66.6 |
1.6 |
0.850 |
1 |
0 |
0 |
0.000 |
40 |
|
D |
10 |
3 |
6799 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
2 |
6462 |
64.5 |
1.8 |
0.872 |
0 |
0 |
0 |
0.000 |
Average: |
65.5 |
1.7 |
0.861 |
1 |
0 |
0 |
0.000 |
17 |
41 |
|
[FLC]F:2008 |
6 |
1 |
303 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
5967 |
63.7 |
-0.5 |
0.477 |
1 |
0 |
0 |
0.013 |
18 |
42 |
|
[FLC]F:2008 |
5 |
1 |
303 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
6097 |
58.9 |
-0.4 |
0.444 |
1 |
0 |
0 |
0.000 |
19 |
43 |
|
[CA]K:3522 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
9 |
6 |
6803 |
44.5 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.191 |
44 |
|
[CA]G:3512 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
6808 |
44.2 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.191 |
45 |
|
[CA]H:4512 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
6456 |
43.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.191 |
46 |
|
[CA]L:4522 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
10 |
6 |
6800 |
43.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.191 |
47 |
|
[CA]D:4502 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
6799 |
43.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.191 |
48 |
|
[CA]C:3502 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
6462 |
43.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.191 |
Average: |
44.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.191 |
20 |
49 |
|
[CL]A:2004 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
5982 |
44.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.081 |
50 |
|
[CL]J:2007 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
3 |
6097 |
42.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.081 |
51 |
|
[CL]F:2006 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
3 |
5967 |
42.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
52 |
|
[CL]B:2005 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
6038 |
37.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
41.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
21 |
53 |
|
[CA]D:4501 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
6799 |
43.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.186 |
54 |
|
[CA]G:3511 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
6808 |
43.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.186 |
55 |
|
[CA]C:3501 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
6462 |
43.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.186 |
56 |
|
[CA]H:4511 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
6456 |
43.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.186 |
57 |
|
[CA]K:3521 |
1 |
1 |
85 |
f |
K |
x,y,z |
1_555 |
8 |
5 |
6803 |
43.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.186 |
58 |
|
[CA]L:4521 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
6800 |
43.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.186 |
Average: |
43.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.186 |
22 |
59 |
|
[CA]I:1522 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
6 |
5 |
5989 |
43.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.190 |
60 |
|
[CA]A:1502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
5982 |
43.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.190 |
61 |
|
[CA]J:2522 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
6 |
4 |
6097 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.190 |
62 |
|
[CA]B:2502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
6038 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.190 |
63 |
|
[CA]F:2512 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
5967 |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.190 |
Average: |
42.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.190 |
23 |
64 |
|
[CA]E:1511 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
6133 |
42.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.174 |
65 |
|
[CA]A:1501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
5982 |
42.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.174 |
66 |
|
[CA]I:1521 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
7 |
5 |
5989 |
42.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.174 |
67 |
|
[CA]B:2501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
6038 |
39.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.174 |
68 |
|
[CA]F:2511 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
5967 |
39.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.174 |
69 |
|
[CA]J:2521 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
6 |
5 |
6097 |
38.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.174 |
Average: |
40.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.174 |
24 |
70 |
|
B |
2 |
1 |
6038 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
2 |
6799 |
42.2 |
0.9 |
0.828 |
0 |
0 |
0 |
0.000 |
25 |
71 |
|
F |
5 |
3 |
5967 |
◊ |
G |
x-1,y,z |
1_455 |
4 |
2 |
6808 |
36.4 |
0.8 |
0.810 |
1 |
1 |
0 |
0.000 |
26 |
72 |
|
[CL]F:2006 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
6808 |
25.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.044 |
73 |
|
[CL]A:2004 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6799 |
22.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.044 |
74 |
|
[CL]J:2007 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
5 |
3 |
6803 |
18.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.044 |
75 |
|
[CL]B:2005 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6462 |
12.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
19.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
27 |
76 |
|
G |
2 |
1 |
6808 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
6133 |
23.1 |
1.0 |
0.834 |
0 |
0 |
0 |
0.000 |
77 |
|
B |
4 |
2 |
6038 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
6799 |
21.8 |
0.9 |
0.819 |
0 |
0 |
0 |
0.000 |
Average: |
22.4 |
1.0 |
0.827 |
0 |
0 |
0 |
0.000 |
28 |
78 |
|
I |
4 |
2 |
5989 |
◊ |
K |
x-1,y,z |
1_455 |
3 |
2 |
6803 |
17.0 |
0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
29 |
79 |
|
[CA]J:2521 |
1 |
1 |
85 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
6803 |
9.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.023 |
80 |
|
[CA]F:2511 |
1 |
1 |
85 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
6808 |
9.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
81 |
|
[CA]B:2501 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6462 |
8.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.023 |
82 |
|
[CA]I:1521 |
1 |
1 |
85 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
6800 |
3.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.023 |
83 |
|
[CA]E:1511 |
1 |
1 |
85 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
6456 |
3.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.023 |
84 |
|
[CA]A:1501 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6799 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
6.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
30 |
85 |
|
B |
1 |
1 |
6038 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
6038 |
3.9 |
0.1 |
0.813 |
0 |
0 |
0 |
0.000 |
31 |
86 |
|
H |
2 |
2 |
6456 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6462 |
3.4 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
32 |
87 |
|
F |
1 |
1 |
5967 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
6456 |
0.7 |
0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
|