## |
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 |
|
B |
150 |
40 |
11340 |
◊ |
A |
x,y,z |
1_555 |
147 |
39 |
11207 |
1361.2 |
-23.0 |
0.019 |
13 |
11 |
0 |
1.000 |
2 |
|
H |
146 |
39 |
11462 |
◊ |
G |
x,y,z |
1_555 |
146 |
39 |
11281 |
1337.1 |
-24.1 |
0.014 |
13 |
12 |
0 |
1.000 |
3 |
|
L |
143 |
40 |
11406 |
◊ |
K |
x,y,z |
1_555 |
155 |
39 |
11047 |
1336.7 |
-21.1 |
0.038 |
13 |
9 |
0 |
1.000 |
4 |
|
F |
145 |
39 |
11219 |
◊ |
E |
x,y,z |
1_555 |
143 |
38 |
11314 |
1315.0 |
-22.7 |
0.022 |
13 |
10 |
0 |
1.000 |
5 |
|
J |
145 |
37 |
11258 |
◊ |
I |
x,y,z |
1_555 |
142 |
36 |
11260 |
1288.8 |
-24.2 |
0.017 |
12 |
8 |
0 |
1.000 |
6 |
|
D |
140 |
35 |
11333 |
◊ |
C |
x,y,z |
1_555 |
135 |
36 |
11156 |
1247.2 |
-21.6 |
0.025 |
11 |
10 |
0 |
1.000 |
Average: |
1314.3 |
-22.8 |
0.022 |
13 |
10 |
0 |
1.000 |
2 |
7 |
|
H |
39 |
11 |
11462 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
40 |
12 |
11333 |
375.6 |
1.5 |
0.771 |
2 |
0 |
0 |
0.000 |
3 |
8 |
|
I |
36 |
12 |
11260 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
40 |
11 |
11156 |
343.8 |
-0.9 |
0.521 |
2 |
0 |
0 |
0.000 |
4 |
9 |
|
K |
34 |
9 |
11047 |
◊ |
D |
x,y,z |
1_555 |
38 |
10 |
11333 |
341.5 |
0.2 |
0.698 |
4 |
5 |
0 |
0.000 |
5 |
10 |
|
L |
41 |
12 |
11406 |
◊ |
J |
x-1,y,z |
1_455 |
38 |
13 |
11258 |
321.6 |
-0.4 |
0.630 |
0 |
0 |
0 |
0.000 |
6 |
11 |
|
E |
35 |
10 |
11314 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
11340 |
298.3 |
0.3 |
0.702 |
3 |
1 |
0 |
0.000 |
7 |
12 |
|
K |
37 |
10 |
11047 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
11340 |
288.2 |
-0.6 |
0.570 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
28 |
8 |
11207 |
◊ |
I |
x-1,y,z |
1_455 |
29 |
8 |
11260 |
257.5 |
-1.6 |
0.491 |
0 |
0 |
0 |
0.000 |
Average: |
272.9 |
-1.1 |
0.531 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
D |
27 |
10 |
11333 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
11340 |
263.9 |
3.1 |
0.886 |
9 |
6 |
0 |
0.000 |
15 |
|
H |
33 |
10 |
11462 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
28 |
10 |
11047 |
253.6 |
4.0 |
0.918 |
9 |
6 |
0 |
0.000 |
Average: |
258.8 |
3.5 |
0.902 |
9 |
6 |
0 |
0.000 |
9 |
16 |
|
L |
33 |
12 |
11406 |
◊ |
I |
x-1,y+1,z |
1_465 |
32 |
13 |
11260 |
255.9 |
2.3 |
0.842 |
0 |
1 |
0 |
0.000 |
10 |
17 |
|
H |
25 |
8 |
11462 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
11340 |
241.5 |
1.0 |
0.751 |
2 |
3 |
0 |
0.000 |
11 |
18 |
|
A |
26 |
8 |
11207 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
26 |
7 |
11314 |
239.9 |
2.2 |
0.852 |
3 |
4 |
0 |
0.000 |
12 |
19 |
|
B |
26 |
8 |
11340 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
24 |
7 |
11314 |
233.1 |
1.2 |
0.769 |
2 |
3 |
0 |
0.000 |
13 |
20 |
|
F |
24 |
7 |
11219 |
◊ |
D |
x-1,y,z |
1_455 |
25 |
7 |
11333 |
227.6 |
-0.1 |
0.574 |
2 |
2 |
0 |
0.000 |
14 |
21 |
|
F |
22 |
7 |
11219 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
7 |
11340 |
215.4 |
-1.7 |
0.418 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
C |
30 |
10 |
11156 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
9 |
11406 |
210.5 |
0.7 |
0.726 |
1 |
1 |
0 |
0.000 |
16 |
23 |
|
J |
27 |
12 |
11258 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
11156 |
200.3 |
-0.3 |
0.636 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
G |
17 |
5 |
11281 |
◊ |
J |
x-1,y,z-1 |
1_454 |
28 |
7 |
11258 |
199.2 |
-0.4 |
0.561 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
K |
20 |
6 |
11047 |
◊ |
J |
x-1,y,z |
1_455 |
23 |
8 |
11258 |
189.3 |
1.6 |
0.809 |
3 |
2 |
0 |
0.000 |
26 |
|
K |
20 |
6 |
11047 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
11207 |
163.3 |
0.9 |
0.747 |
3 |
2 |
0 |
0.000 |
Average: |
176.3 |
1.3 |
0.778 |
3 |
2 |
0 |
0.000 |
19 |
27 |
|
C |
22 |
6 |
11156 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
11207 |
173.8 |
0.5 |
0.694 |
1 |
1 |
0 |
0.000 |
28 |
|
G |
15 |
4 |
11281 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
11406 |
149.1 |
1.0 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
161.4 |
0.8 |
0.717 |
1 |
1 |
0 |
0.000 |
20 |
29 |
|
E |
21 |
9 |
11314 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
11207 |
172.7 |
0.0 |
0.660 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
C |
15 |
5 |
11156 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
23 |
12 |
11281 |
165.2 |
-1.6 |
0.422 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
A |
17 |
4 |
11207 |
◊ |
K |
x,y-1,z |
1_545 |
17 |
8 |
11047 |
162.9 |
2.6 |
0.891 |
2 |
3 |
0 |
0.000 |
23 |
32 |
|
D |
23 |
9 |
11333 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
17 |
6 |
11281 |
159.4 |
1.7 |
0.816 |
3 |
2 |
0 |
0.000 |
24 |
33 |
|
G |
12 |
4 |
11281 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
21 |
8 |
11333 |
153.9 |
2.6 |
0.887 |
3 |
2 |
0 |
0.000 |
25 |
34 |
|
H |
15 |
5 |
11462 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
20 |
6 |
11314 |
152.0 |
2.4 |
0.871 |
3 |
3 |
0 |
0.000 |
26 |
35 |
|
I |
18 |
7 |
11260 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
21 |
7 |
11258 |
148.3 |
-1.6 |
0.442 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
A |
19 |
6 |
11207 |
◊ |
J |
x-1,y,z |
1_455 |
13 |
4 |
11258 |
141.0 |
1.5 |
0.819 |
4 |
2 |
0 |
0.000 |
28 |
37 |
|
I |
13 |
3 |
11260 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
3 |
11333 |
129.4 |
0.6 |
0.666 |
1 |
0 |
0 |
0.000 |
29 |
38 |
|
G |
12 |
2 |
11281 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
11314 |
125.6 |
-0.2 |
0.565 |
1 |
1 |
0 |
0.000 |
30 |
39 |
|
F |
16 |
6 |
11219 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
10 |
3 |
11047 |
119.4 |
-0.7 |
0.513 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
I |
11 |
3 |
11260 |
◊ |
L |
-x+2,y-1/2,-z+1 |
2_746 |
16 |
7 |
11406 |
117.9 |
-0.0 |
0.600 |
2 |
2 |
0 |
0.000 |
32 |
41 |
|
C |
17 |
7 |
11156 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
6 |
11258 |
115.1 |
0.0 |
0.504 |
1 |
0 |
0 |
0.000 |
33 |
42 |
|
F |
12 |
5 |
11219 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
3 |
11340 |
110.8 |
1.9 |
0.784 |
2 |
4 |
0 |
0.000 |
34 |
43 |
|
H |
8 |
5 |
11462 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
11314 |
97.3 |
-0.3 |
0.556 |
1 |
0 |
0 |
0.000 |
35 |
44 |
|
J |
7 |
3 |
11258 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
11333 |
80.6 |
-0.6 |
0.465 |
1 |
0 |
0 |
0.000 |
36 |
45 |
|
[CL]D:1220 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
11333 |
75.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.214 |
46 |
|
[CL]H:1220 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
11462 |
74.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.214 |
47 |
|
[CL]J:1220 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
13 |
7 |
11258 |
74.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.214 |
Average: |
74.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.214 |
37 |
48 |
|
[CL]D:1219 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
11333 |
69.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.426 |
49 |
|
[CL]B:1219 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11340 |
69.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.426 |
50 |
|
[CL]J:1219 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
11258 |
68.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.426 |
51 |
|
[CL]H:1219 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11462 |
68.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.426 |
52 |
|
[CL]A:1219 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11207 |
68.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.426 |
53 |
|
[CL]G:1219 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
10 |
4 |
11281 |
68.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.426 |
54 |
|
[CL]I:1219 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
11 |
4 |
11260 |
67.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.426 |
55 |
|
[CL]F:1219 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
11219 |
67.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.426 |
56 |
|
[CL]E:1219 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
11314 |
64.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.426 |
Average: |
68.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.426 |
38 |
57 |
|
F |
13 |
6 |
11219 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
8 |
3 |
11462 |
67.6 |
1.0 |
0.744 |
1 |
0 |
0 |
0.000 |
39 |
58 |
|
C |
10 |
3 |
11156 |
◊ |
J |
x-1,y,z |
1_455 |
7 |
3 |
11258 |
62.5 |
2.0 |
0.891 |
1 |
1 |
0 |
0.000 |
40 |
59 |
|
E |
4 |
2 |
11314 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
11333 |
60.5 |
0.6 |
0.675 |
1 |
0 |
0 |
0.000 |
41 |
60 |
|
F |
4 |
2 |
11219 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
10 |
4 |
11281 |
55.9 |
1.4 |
0.755 |
2 |
0 |
0 |
0.000 |
42 |
61 |
|
F |
6 |
3 |
11219 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
4 |
11462 |
53.6 |
0.8 |
0.776 |
2 |
0 |
0 |
0.000 |
43 |
62 |
|
A |
8 |
3 |
11207 |
◊ |
L |
x,y-1,z |
1_545 |
4 |
1 |
11406 |
47.3 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
G |
9 |
3 |
11281 |
◊ |
I |
x-1,y,z-1 |
1_454 |
3 |
1 |
11260 |
46.0 |
1.6 |
0.814 |
1 |
0 |
0 |
0.000 |
45 |
64 |
|
E |
2 |
1 |
11314 |
x |
E |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11314 |
36.0 |
0.8 |
0.622 |
1 |
0 |
0 |
0.000 |
46 |
65 |
|
J |
5 |
3 |
11258 |
◊ |
L |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
4 |
11406 |
33.8 |
-0.7 |
0.382 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
I |
4 |
3 |
11260 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11156 |
30.6 |
0.3 |
0.616 |
0 |
0 |
0 |
0.000 |
48 |
67 |
|
A |
3 |
1 |
11207 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11281 |
24.8 |
0.5 |
0.810 |
1 |
1 |
0 |
0.000 |
49 |
68 |
|
[CL]E:1219 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11340 |
22.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
69 |
|
C |
5 |
3 |
11156 |
◊ |
L |
x,y-1,z |
1_545 |
6 |
3 |
11406 |
22.0 |
0.4 |
0.728 |
0 |
0 |
0 |
0.000 |
51 |
70 |
|
[CL]I:1219 |
1 |
1 |
125 |
◊ |
J |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
2 |
11258 |
20.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
71 |
|
B |
2 |
2 |
11340 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11219 |
17.1 |
0.7 |
0.838 |
0 |
0 |
0 |
0.000 |
53 |
72 |
|
G |
4 |
2 |
11281 |
◊ |
K |
-x,y-1/2,-z |
2_545 |
2 |
2 |
11047 |
13.6 |
0.5 |
0.799 |
0 |
0 |
0 |
0.000 |
54 |
73 |
|
A |
3 |
1 |
11207 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
11333 |
11.6 |
0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
55 |
74 |
|
G |
4 |
3 |
11281 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
4 |
3 |
11406 |
10.3 |
-0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
56 |
75 |
|
[CL]H:1219 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11340 |
9.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[CL]B:1219 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
11462 |
4.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
77 |
|
[CL]H:1220 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
11281 |
4.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
78 |
|
[CL]J:1220 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
11260 |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
79 |
|
[CL]D:1220 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11156 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
3.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
58 |
80 |
|
I |
1 |
1 |
11260 |
◊ |
[CL]J:1219 |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
125 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|