| ## |
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 |
139 |
35 |
7013 |
◊ |
C |
x,y,z |
1_555 |
155 |
46 |
15291 |
1395.0 |
-10.5 |
0.200 |
19 |
5 |
0 |
1.000 |
2 |
|
L |
141 |
35 |
6923 |
◊ |
K |
x,y,z |
1_555 |
155 |
43 |
15825 |
1368.5 |
-10.3 |
0.186 |
21 |
8 |
0 |
1.000 |
3 |
|
F |
134 |
33 |
6531 |
◊ |
E |
x,y,z |
1_555 |
145 |
41 |
15341 |
1332.9 |
-4.6 |
0.417 |
20 |
6 |
0 |
1.000 |
4 |
|
B |
136 |
33 |
6815 |
◊ |
A |
x,y,z |
1_555 |
147 |
41 |
15454 |
1311.5 |
-8.5 |
0.220 |
22 |
8 |
0 |
1.000 |
5 |
|
H |
134 |
34 |
6922 |
◊ |
G |
x,y,z |
1_555 |
143 |
42 |
15411 |
1297.8 |
-9.5 |
0.201 |
18 |
7 |
0 |
1.000 |
6 |
|
J |
133 |
34 |
6994 |
◊ |
I |
x,y,z |
1_555 |
141 |
41 |
15502 |
1280.5 |
-9.6 |
0.160 |
21 |
8 |
0 |
1.000 |
| Average: |
1331.0 |
-8.8 |
0.231 |
20 |
7 |
0 |
1.000 |
| 2 |
7 |
|
R |
71 |
9 |
1541 |
◊ |
K |
x,y,z |
1_555 |
126 |
41 |
15825 |
978.9 |
-4.4 |
0.662 |
25 |
6 |
0 |
1.000 |
8 |
|
Q |
68 |
9 |
1546 |
◊ |
I |
x,y,z |
1_555 |
119 |
38 |
15502 |
942.6 |
-6.7 |
0.485 |
22 |
4 |
0 |
1.000 |
9 |
|
O |
66 |
9 |
1550 |
◊ |
E |
x,y,z |
1_555 |
120 |
39 |
15341 |
927.8 |
-7.3 |
0.479 |
18 |
2 |
0 |
1.000 |
10 |
|
N |
68 |
9 |
1541 |
◊ |
C |
x,y,z |
1_555 |
124 |
39 |
15291 |
924.3 |
-7.0 |
0.487 |
22 |
2 |
0 |
1.000 |
11 |
|
M |
67 |
9 |
1544 |
◊ |
A |
x,y,z |
1_555 |
119 |
38 |
15454 |
923.3 |
-7.2 |
0.447 |
21 |
2 |
0 |
1.000 |
12 |
|
P |
65 |
9 |
1513 |
◊ |
G |
x,y,z |
1_555 |
113 |
37 |
15411 |
899.9 |
-7.7 |
0.434 |
19 |
2 |
0 |
1.000 |
| Average: |
932.8 |
-6.7 |
0.499 |
21 |
3 |
0 |
1.000 |
| 3 |
13 |
|
D |
63 |
18 |
7013 |
◊ |
K |
-x-1/2,y-1/2,-z |
4_445 |
59 |
17 |
15825 |
571.2 |
0.0 |
0.476 |
9 |
0 |
0 |
0.000 |
14 |
|
L |
56 |
18 |
6923 |
◊ |
E |
x,y,z |
1_555 |
58 |
18 |
15341 |
538.3 |
2.6 |
0.756 |
7 |
1 |
0 |
0.000 |
| Average: |
554.8 |
1.3 |
0.616 |
8 |
1 |
0 |
0.000 |
| 4 |
15 |
|
K |
42 |
15 |
15825 |
◊ |
E |
x,y,z |
1_555 |
48 |
13 |
15341 |
403.4 |
-3.2 |
0.241 |
3 |
4 |
0 |
0.000 |
16 |
|
C |
44 |
14 |
15291 |
◊ |
K |
-x-1/2,y-1/2,-z |
4_445 |
41 |
11 |
15825 |
390.8 |
-3.2 |
0.257 |
2 |
2 |
0 |
0.000 |
| Average: |
397.1 |
-3.2 |
0.249 |
3 |
3 |
0 |
0.000 |
| 5 |
17 |
|
G |
36 |
9 |
15411 |
x |
E |
x,y,z |
1_555 |
47 |
14 |
15341 |
375.4 |
-4.8 |
0.099 |
2 |
3 |
0 |
0.000 |
18 |
|
A |
38 |
9 |
15454 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
41 |
13 |
15454 |
365.0 |
-4.6 |
0.123 |
2 |
1 |
0 |
0.000 |
19 |
|
G |
43 |
13 |
15411 |
x |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
34 |
10 |
15291 |
363.2 |
-4.0 |
0.165 |
2 |
1 |
0 |
0.000 |
20 |
|
I |
34 |
8 |
15502 |
x |
I |
-x-1/2,y-1/2,-z+1 |
4_446 |
43 |
13 |
15502 |
350.6 |
-2.8 |
0.261 |
3 |
3 |
0 |
0.000 |
| Average: |
363.5 |
-4.1 |
0.162 |
2 |
2 |
0 |
0.000 |
| 6 |
21 |
|
E |
46 |
13 |
15341 |
◊ |
K |
x,y-1,z |
1_545 |
45 |
14 |
15825 |
372.8 |
1.3 |
0.680 |
1 |
0 |
0 |
0.000 |
22 |
|
I |
38 |
8 |
15502 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
15454 |
321.6 |
0.8 |
0.610 |
0 |
0 |
0 |
0.000 |
| Average: |
347.2 |
1.0 |
0.645 |
1 |
0 |
0 |
0.000 |
| 7 |
23 |
|
C |
42 |
12 |
15291 |
◊ |
J |
-x-1/2,y-1/2,-z+1 |
4_446 |
33 |
12 |
6994 |
342.7 |
2.6 |
0.690 |
2 |
1 |
0 |
0.000 |
24 |
|
D |
29 |
11 |
7013 |
◊ |
A |
x,y,z |
1_555 |
35 |
13 |
15454 |
271.9 |
-0.4 |
0.511 |
2 |
0 |
0 |
0.000 |
| Average: |
307.3 |
1.1 |
0.601 |
2 |
1 |
0 |
0.000 |
| 8 |
25 |
|
C |
40 |
10 |
15291 |
◊ |
G |
-x-1/2,y-1/2,-z+1 |
4_446 |
31 |
7 |
15411 |
292.4 |
0.2 |
0.533 |
0 |
0 |
0 |
0.000 |
| 9 |
26 |
|
D |
29 |
8 |
7013 |
◊ |
I |
x,y,z |
1_555 |
31 |
9 |
15502 |
285.1 |
0.1 |
0.555 |
3 |
0 |
0 |
0.000 |
27 |
|
H |
29 |
9 |
6922 |
◊ |
E |
-x-1,y,-z |
2_455 |
28 |
8 |
15341 |
259.0 |
-0.8 |
0.496 |
3 |
0 |
0 |
0.000 |
28 |
|
B |
26 |
8 |
6815 |
◊ |
K |
-x-1/2,y-1/2,-z |
4_445 |
26 |
8 |
15825 |
234.1 |
-1.4 |
0.426 |
1 |
1 |
0 |
0.000 |
| Average: |
259.4 |
-0.7 |
0.492 |
2 |
0 |
0 |
0.000 |
| 10 |
29 |
|
E |
28 |
12 |
15341 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
30 |
11 |
6815 |
274.4 |
1.0 |
0.569 |
1 |
0 |
0 |
0.000 |
| 11 |
30 |
|
F |
21 |
9 |
6531 |
◊ |
G |
x,y,z |
1_555 |
27 |
9 |
15411 |
239.7 |
0.8 |
0.479 |
2 |
0 |
0 |
0.000 |
31 |
|
I |
27 |
9 |
15502 |
◊ |
J |
-x-1/2,y-1/2,-z+1 |
4_446 |
29 |
13 |
6994 |
230.2 |
1.6 |
0.623 |
1 |
2 |
0 |
0.000 |
32 |
|
H |
19 |
8 |
6922 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
25 |
8 |
15291 |
171.9 |
1.0 |
0.671 |
2 |
1 |
0 |
0.000 |
33 |
|
A |
23 |
8 |
15454 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
19 |
9 |
6815 |
139.8 |
1.3 |
0.713 |
3 |
2 |
0 |
0.000 |
| Average: |
195.4 |
1.2 |
0.621 |
2 |
1 |
0 |
0.000 |
| 12 |
34 |
|
H |
27 |
9 |
6922 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
36 |
14 |
6815 |
231.8 |
1.3 |
0.710 |
1 |
3 |
0 |
0.000 |
| 13 |
35 |
|
C |
26 |
9 |
15291 |
◊ |
I |
-x-1/2,y-1/2,-z+1 |
4_446 |
16 |
5 |
15502 |
204.2 |
-1.7 |
0.328 |
2 |
0 |
0 |
0.000 |
| 14 |
36 |
|
L |
22 |
10 |
6923 |
◊ |
G |
-x-1,y,-z |
2_455 |
19 |
9 |
15411 |
203.8 |
-0.6 |
0.472 |
0 |
0 |
0 |
0.000 |
| 15 |
37 |
|
H |
22 |
10 |
6922 |
◊ |
K |
-x-1,y-1,-z |
2_445 |
25 |
11 |
15825 |
200.6 |
1.0 |
0.630 |
1 |
0 |
0 |
0.000 |
| 16 |
38 |
|
L |
23 |
6 |
6923 |
◊ |
J |
-x-1,y,-z |
2_455 |
18 |
8 |
6994 |
184.0 |
1.1 |
0.666 |
1 |
3 |
0 |
0.000 |
39 |
|
F |
17 |
5 |
6531 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
7013 |
136.6 |
1.4 |
0.767 |
0 |
2 |
0 |
0.000 |
| Average: |
160.3 |
1.3 |
0.716 |
1 |
3 |
0 |
0.000 |
| 17 |
40 |
|
J |
23 |
9 |
6994 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
15411 |
161.9 |
1.1 |
0.705 |
1 |
0 |
0 |
0.000 |
| 18 |
41 |
|
G |
16 |
3 |
15411 |
◊ |
N |
-x-1/2,y-1/2,-z+1 |
4_446 |
13 |
4 |
1541 |
161.5 |
1.8 |
0.837 |
1 |
0 |
0 |
0.000 |
| 19 |
42 |
|
G |
16 |
4 |
15411 |
◊ |
G |
-x-1,y,-z |
2_455 |
16 |
4 |
15411 |
158.9 |
0.7 |
0.660 |
2 |
2 |
0 |
0.000 |
43 |
|
I |
15 |
5 |
15502 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
12 |
3 |
15291 |
125.1 |
-0.8 |
0.357 |
0 |
0 |
0 |
0.000 |
| Average: |
142.0 |
-0.1 |
0.509 |
1 |
1 |
0 |
0.000 |
| 20 |
44 |
|
M |
16 |
4 |
1544 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
15 |
3 |
15454 |
153.2 |
1.9 |
0.821 |
3 |
0 |
0 |
0.000 |
45 |
|
P |
16 |
5 |
1513 |
◊ |
E |
x,y,z |
1_555 |
16 |
3 |
15341 |
151.1 |
1.6 |
0.762 |
2 |
0 |
0 |
0.000 |
46 |
|
Q |
13 |
5 |
1546 |
◊ |
I |
-x-1/2,y-1/2,-z+1 |
4_446 |
16 |
4 |
15502 |
146.0 |
1.0 |
0.770 |
2 |
0 |
0 |
0.000 |
| Average: |
150.1 |
1.5 |
0.784 |
2 |
0 |
0 |
0.000 |
| 21 |
47 |
|
G |
17 |
7 |
15411 |
◊ |
K |
-x-1,y-1,-z |
2_445 |
19 |
5 |
15825 |
145.1 |
-1.9 |
0.286 |
0 |
0 |
0 |
0.000 |
48 |
|
E |
15 |
4 |
15341 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
11 |
2 |
15454 |
103.5 |
-0.9 |
0.392 |
1 |
4 |
0 |
0.000 |
| Average: |
124.3 |
-1.4 |
0.339 |
1 |
2 |
0 |
0.000 |
| 22 |
49 |
|
O |
14 |
5 |
1550 |
◊ |
K |
x,y,z |
1_555 |
15 |
4 |
15825 |
135.0 |
2.1 |
0.855 |
2 |
0 |
0 |
0.000 |
50 |
|
C |
15 |
4 |
15291 |
◊ |
R |
-x-1/2,y-1/2,-z |
4_445 |
14 |
5 |
1541 |
123.7 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
| Average: |
129.4 |
1.2 |
0.785 |
1 |
0 |
0 |
0.000 |
| 23 |
51 |
|
F |
15 |
5 |
6531 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
15454 |
130.7 |
0.0 |
0.582 |
1 |
1 |
0 |
0.000 |
52 |
|
L |
15 |
5 |
6923 |
◊ |
C |
x-1/2,y+1/2,z-1 |
3_454 |
16 |
5 |
15291 |
129.2 |
-1.0 |
0.377 |
2 |
0 |
0 |
0.000 |
| Average: |
130.0 |
-0.5 |
0.480 |
2 |
1 |
0 |
0.000 |
| 24 |
53 |
|
A |
13 |
4 |
15454 |
◊ |
K |
-x-1/2,y-1/2,-z |
4_445 |
14 |
5 |
15825 |
119.3 |
-0.1 |
0.440 |
0 |
1 |
0 |
0.000 |
54 |
|
I |
14 |
6 |
15502 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
15291 |
98.1 |
0.9 |
0.687 |
1 |
2 |
0 |
0.000 |
55 |
|
G |
13 |
3 |
15411 |
◊ |
E |
-x-1,y,-z |
2_455 |
12 |
3 |
15341 |
90.3 |
-0.2 |
0.504 |
0 |
0 |
0 |
0.000 |
| Average: |
102.6 |
0.2 |
0.544 |
0 |
1 |
0 |
0.000 |
| 25 |
56 |
|
B |
17 |
5 |
6815 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
15291 |
113.6 |
-0.7 |
0.472 |
0 |
0 |
0 |
0.000 |
57 |
|
D |
17 |
6 |
7013 |
◊ |
I |
-x-1/2,y-1/2,-z+1 |
4_446 |
9 |
4 |
15502 |
71.6 |
0.2 |
0.629 |
0 |
0 |
0 |
0.000 |
| Average: |
92.6 |
-0.2 |
0.551 |
0 |
0 |
0 |
0.000 |
| 26 |
58 |
|
H |
12 |
4 |
6922 |
◊ |
K |
-x-1,y,-z |
2_455 |
11 |
4 |
15825 |
112.9 |
0.2 |
0.626 |
4 |
1 |
0 |
0.000 |
59 |
|
J |
15 |
5 |
6994 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
15341 |
105.1 |
0.5 |
0.651 |
3 |
0 |
0 |
0.000 |
| Average: |
109.0 |
0.3 |
0.639 |
4 |
1 |
0 |
0.000 |
| 27 |
60 |
|
A |
9 |
4 |
15454 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
11 |
4 |
15341 |
109.5 |
-0.5 |
0.410 |
1 |
1 |
0 |
0.000 |
| 28 |
61 |
|
C |
12 |
3 |
15291 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
15454 |
104.1 |
-1.0 |
0.383 |
1 |
0 |
0 |
0.000 |
| 29 |
62 |
|
F |
11 |
4 |
6531 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
12 |
4 |
15454 |
98.6 |
0.7 |
0.688 |
2 |
0 |
0 |
0.000 |
| 30 |
63 |
|
K |
10 |
5 |
15825 |
◊ |
K |
-x-1,y,-z-1 |
2_454 |
10 |
5 |
15825 |
96.3 |
-0.6 |
0.466 |
0 |
0 |
0 |
0.000 |
| 31 |
64 |
|
F |
13 |
7 |
6531 |
◊ |
I |
x,y,z |
1_555 |
12 |
6 |
15502 |
95.9 |
1.3 |
0.763 |
1 |
0 |
0 |
0.000 |
| 32 |
65 |
|
K |
7 |
1 |
15825 |
◊ |
G |
-x-1,y,-z |
2_455 |
13 |
3 |
15411 |
82.8 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
| 33 |
66 |
|
K |
7 |
2 |
15825 |
◊ |
K |
-x-1,y,-z |
2_455 |
7 |
2 |
15825 |
80.1 |
-0.8 |
0.372 |
4 |
4 |
0 |
0.000 |
| 34 |
67 |
|
F |
6 |
3 |
6531 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
12 |
5 |
6815 |
76.3 |
0.6 |
0.660 |
0 |
0 |
0 |
0.000 |
| 35 |
68 |
|
I |
12 |
3 |
15502 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
15341 |
61.6 |
0.7 |
0.697 |
1 |
0 |
0 |
0.000 |
| 36 |
69 |
|
H |
7 |
2 |
6922 |
◊ |
L |
-x-1,y-1,-z |
2_445 |
6 |
2 |
6923 |
56.3 |
0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
| 37 |
70 |
|
C |
8 |
2 |
15291 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
2 |
15454 |
51.9 |
0.4 |
0.668 |
1 |
0 |
0 |
0.000 |
| 38 |
71 |
|
L |
3 |
2 |
6923 |
◊ |
H |
-x-1,y,-z |
2_455 |
1 |
1 |
6922 |
27.8 |
0.2 |
0.227 |
1 |
0 |
0 |
0.000 |
72 |
|
D |
2 |
1 |
7013 |
◊ |
J |
-x-1/2,y-1/2,-z+1 |
4_446 |
3 |
1 |
6994 |
24.1 |
0.6 |
0.780 |
0 |
0 |
0 |
0.000 |
73 |
|
D |
3 |
1 |
7013 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6815 |
15.7 |
0.7 |
0.828 |
0 |
0 |
0 |
0.000 |
| Average: |
22.5 |
0.5 |
0.612 |
0 |
0 |
0 |
0.000 |
| 39 |
74 |
|
H |
1 |
1 |
6922 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
15291 |
27.1 |
-0.1 |
0.272 |
0 |
0 |
0 |
0.000 |
| 40 |
75 |
|
E |
3 |
1 |
15341 |
◊ |
I |
x,y-1,z |
1_545 |
3 |
1 |
15502 |
12.9 |
0.3 |
0.711 |
0 |
0 |
0 |
0.000 |
| 41 |
76 |
|
E |
1 |
1 |
15341 |
◊ |
E |
-x-1,y,-z |
2_455 |
1 |
1 |
15341 |
9.8 |
-0.3 |
0.213 |
0 |
0 |
0 |
0.000 |
| 42 |
77 |
|
G |
1 |
1 |
15411 |
◊ |
L |
-x-1,y-1,-z |
2_445 |
2 |
2 |
6923 |
9.6 |
0.2 |
0.749 |
0 |
0 |
0 |
0.000 |
| 43 |
78 |
|
K |
2 |
1 |
15825 |
◊ |
C |
x-1/2,y+1/2,z-1 |
3_454 |
1 |
1 |
15291 |
7.9 |
0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
79 |
|
E |
2 |
1 |
15341 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15454 |
1.2 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
| Average: |
4.5 |
0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
| 44 |
80 |
|
K |
1 |
1 |
15825 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
6815 |
6.4 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
|