| ## |
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 |
|
C |
110 |
31 |
12987 |
◊ |
B |
x,y-1,z |
1_545 |
80 |
22 |
12782 |
925.1 |
-7.3 |
0.361 |
14 |
1 |
0 |
0.017 |
| 2 |
2 |
|
C |
82 |
26 |
12987 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
84 |
22 |
12987 |
804.0 |
5.7 |
0.954 |
16 |
11 |
0 |
0.000 |
3 |
|
B |
79 |
21 |
12782 |
x |
A |
x,y,z |
1_555 |
76 |
24 |
12681 |
681.2 |
6.6 |
0.961 |
12 |
10 |
0 |
0.000 |
4 |
|
A |
65 |
18 |
12681 |
x |
B |
x-1,y,z |
1_455 |
53 |
16 |
12782 |
535.3 |
4.3 |
0.931 |
9 |
8 |
0 |
0.000 |
| Average: |
673.5 |
5.6 |
0.948 |
12 |
10 |
0 |
0.000 |
| 3 |
5 |
|
A |
67 |
20 |
12681 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
80 |
23 |
12681 |
753.7 |
-7.0 |
0.145 |
7 |
0 |
0 |
0.000 |
| 4 |
6 |
|
C |
58 |
17 |
12987 |
◊ |
B |
x,y,z |
1_555 |
75 |
21 |
12782 |
606.3 |
-4.5 |
0.412 |
8 |
2 |
0 |
0.000 |
| 5 |
7 |
|
[OAD]A:1394 |
39 |
1 |
785 |
f |
A |
x,y,z |
1_555 |
93 |
30 |
12681 |
546.4 |
-7.0 |
0.604 |
17 |
0 |
0 |
0.056 |
8 |
|
[OAD]C:1395 |
38 |
1 |
787 |
f |
C |
x,y,z |
1_555 |
92 |
31 |
12987 |
538.7 |
-7.8 |
0.570 |
18 |
0 |
0 |
0.056 |
| Average: |
542.5 |
-7.4 |
0.587 |
18 |
0 |
0 |
0.056 |
| 6 |
9 |
|
[AR6]B:1393 |
35 |
1 |
718 |
f |
B |
x,y,z |
1_555 |
82 |
28 |
12782 |
505.4 |
-8.7 |
0.556 |
18 |
0 |
0 |
0.044 |
| 7 |
10 |
|
B |
37 |
12 |
12782 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
12782 |
292.8 |
-2.6 |
0.354 |
0 |
1 |
0 |
0.000 |
| 8 |
11 |
|
[OCZ]B:1392 |
17 |
1 |
415 |
f |
B |
x,y,z |
1_555 |
41 |
16 |
12782 |
279.4 |
-10.9 |
0.290 |
4 |
0 |
0 |
0.043 |
12 |
|
[OCZ]C:1394 |
17 |
1 |
415 |
f |
C |
x,y,z |
1_555 |
45 |
18 |
12987 |
265.5 |
-10.3 |
0.358 |
4 |
0 |
0 |
0.043 |
13 |
|
[OCZ]A:1393 |
17 |
1 |
413 |
f |
A |
x,y,z |
1_555 |
41 |
17 |
12681 |
258.3 |
-10.3 |
0.320 |
3 |
0 |
0 |
0.043 |
| Average: |
267.7 |
-10.5 |
0.323 |
4 |
0 |
0 |
0.043 |
| 9 |
14 |
|
C |
28 |
6 |
12987 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
28 |
8 |
12681 |
240.6 |
-3.6 |
0.208 |
0 |
3 |
0 |
0.000 |
| 10 |
15 |
|
C |
21 |
7 |
12987 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
14 |
5 |
12681 |
119.7 |
-2.4 |
0.222 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[EDO]C:1399 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
12987 |
113.5 |
2.5 |
0.358 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]C:1397 |
6 |
1 |
225 |
f |
C |
x-1/2,-y-1/2,-z |
4_445 |
13 |
5 |
12987 |
91.1 |
-0.7 |
0.487 |
1 |
0 |
0 |
0.004 |
| 13 |
18 |
|
[EDO]C:1396 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
12987 |
89.5 |
2.5 |
0.293 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[EDO]C:1398 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
12987 |
89.4 |
2.7 |
0.303 |
2 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[EDO]B:1394 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
12782 |
88.0 |
1.7 |
0.261 |
3 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[EDO]B:1395 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
12782 |
82.6 |
2.0 |
0.295 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
A |
15 |
5 |
12681 |
f |
[EDO]B:1395 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
78.5 |
1.7 |
0.218 |
2 |
0 |
0 |
0.000 |
| 18 |
23 |
|
A |
13 |
7 |
12681 |
f |
[CL]A:1397 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
125 |
67.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.021 |
| 19 |
24 |
|
C |
11 |
4 |
12987 |
◊ |
[EDO]B:1394 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
66.7 |
1.5 |
0.230 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[OAD]A:1394 |
8 |
1 |
785 |
f |
[OCZ]A:1393 |
x,y,z |
1_555 |
10 |
1 |
413 |
62.6 |
-2.0 |
0.598 |
0 |
0 |
0 |
0.005 |
26 |
|
[OAD]C:1395 |
7 |
1 |
787 |
f |
[OCZ]C:1394 |
x,y,z |
1_555 |
10 |
1 |
415 |
61.1 |
-1.6 |
0.647 |
0 |
0 |
0 |
0.005 |
| Average: |
61.9 |
-1.8 |
0.622 |
0 |
0 |
0 |
0.005 |
| 21 |
27 |
|
[CL]B:1397 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12782 |
61.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.022 |
| 22 |
28 |
|
[GOL]C:1397 |
4 |
1 |
225 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12987 |
58.8 |
-0.2 |
0.572 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[NA]A:1396 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12681 |
54.2 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.016 |
| 24 |
30 |
|
[EDO]C:1398 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
12782 |
51.8 |
1.1 |
0.739 |
1 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[AR6]B:1393 |
6 |
1 |
718 |
f |
[OCZ]B:1392 |
x,y,z |
1_555 |
9 |
1 |
415 |
47.0 |
-1.0 |
0.718 |
0 |
0 |
0 |
0.003 |
| 26 |
32 |
|
C |
9 |
3 |
12987 |
◊ |
[NA]A:1396 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
125 |
46.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
C |
6 |
3 |
12987 |
f |
[EDO]C:1396 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
37.4 |
0.7 |
0.822 |
1 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[OAD]C:1395 |
5 |
1 |
787 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
12782 |
26.4 |
0.7 |
0.804 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[CL]A:1397 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12681 |
23.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[GOL]C:1397 |
1 |
1 |
225 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
12987 |
15.7 |
0.2 |
0.595 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[OCZ]C:1394 |
2 |
1 |
415 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
2 |
12782 |
12.8 |
-0.4 |
0.392 |
0 |
0 |
0 |
0.000 |
|