| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
M |
477 |
121 |
18401 |
◊ |
L |
x,y,z |
1_555 |
466 |
105 |
17428 |
4250.7 |
-62.0 |
0.928 |
53 |
13 |
0 |
0.385 |
2 |
|
M |
271 |
63 |
18401 |
◊ |
H |
x,y,z |
1_555 |
291 |
84 |
14098 |
2735.1 |
-22.4 |
0.889 |
41 |
19 |
0 |
0.430 |
3 |
|
L |
147 |
38 |
17428 |
◊ |
H |
x,y,z |
1_555 |
172 |
55 |
14098 |
1506.6 |
-16.3 |
0.789 |
15 |
2 |
0 |
0.405 |
4 |
|
[BCL]M:1303 |
62 |
1 |
1369 |
f |
M |
x,y,z |
1_555 |
86 |
31 |
18401 |
597.1 |
-10.7 |
0.491 |
1 |
0 |
0 |
0.110 |
5 |
|
[BCL]L:1282 |
59 |
1 |
1332 |
f |
L |
x,y,z |
1_555 |
86 |
27 |
17428 |
539.5 |
-8.6 |
0.643 |
2 |
0 |
0 |
0.166 |
6 |
|
[BPH]M:1284 |
52 |
1 |
1347 |
◊ |
L |
x,y,z |
1_555 |
86 |
28 |
17428 |
522.2 |
-6.3 |
0.775 |
1 |
0 |
0 |
0.030 |
7 |
|
[BPH]M:1304 |
51 |
1 |
1318 |
◊ |
M |
x,y,z |
1_555 |
66 |
21 |
18401 |
494.4 |
-5.8 |
0.612 |
1 |
0 |
0 |
0.028 |
8 |
|
[U10]M:1305 |
36 |
1 |
1121 |
f |
M |
x,y,z |
1_555 |
68 |
20 |
18401 |
445.9 |
-5.8 |
0.790 |
2 |
0 |
0 |
0.066 |
9 |
|
L |
47 |
11 |
17428 |
◊ |
L |
-x,-y,z |
2_555 |
45 |
11 |
17428 |
378.1 |
-8.1 |
0.594 |
0 |
0 |
0 |
0.000 |
10 |
|
M |
41 |
15 |
18401 |
◊ |
H |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
38 |
13 |
14098 |
366.0 |
-5.3 |
0.546 |
2 |
0 |
0 |
0.000 |
11 |
|
[U10]L:1306 |
24 |
1 |
588 |
f |
L |
x,y,z |
1_555 |
53 |
18 |
17428 |
360.5 |
-4.9 |
0.725 |
4 |
0 |
0 |
0.116 |
12 |
|
[BCL]L:1283 |
41 |
1 |
1196 |
f |
L |
x,y,z |
1_555 |
43 |
14 |
17428 |
331.3 |
-9.3 |
0.301 |
0 |
0 |
0 |
0.162 |
13 |
|
[BCL]M:1302 |
35 |
1 |
907 |
f |
M |
x,y,z |
1_555 |
31 |
13 |
18401 |
289.9 |
-8.2 |
0.311 |
0 |
0 |
0 |
0.082 |
14 |
|
[BPH]M:1304 |
35 |
1 |
1318 |
f |
L |
x,y,z |
1_555 |
27 |
9 |
17428 |
257.1 |
-7.7 |
0.245 |
0 |
0 |
0 |
0.134 |
15 |
|
M |
27 |
8 |
18401 |
◊ |
L |
-y,-x,-z |
8_555 |
26 |
5 |
17428 |
252.1 |
-2.2 |
0.824 |
3 |
0 |
0 |
0.000 |
16 |
|
[BPH]M:1284 |
26 |
1 |
1347 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
36 |
1 |
1196 |
251.2 |
-2.9 |
0.576 |
0 |
0 |
0 |
0.013 |
17 |
|
[BCL]L:1283 |
29 |
1 |
1196 |
◊ |
M |
x,y,z |
1_555 |
32 |
10 |
18401 |
242.9 |
-2.8 |
0.577 |
0 |
0 |
0 |
0.012 |
18 |
|
[BCL]M:1302 |
26 |
1 |
907 |
◊ |
L |
x,y,z |
1_555 |
34 |
8 |
17428 |
234.8 |
-4.9 |
0.723 |
2 |
0 |
0 |
0.026 |
19 |
|
M |
30 |
8 |
18401 |
◊ |
H |
-x,-y-1,z |
2_545 |
24 |
7 |
14098 |
232.0 |
-4.4 |
0.402 |
0 |
0 |
0 |
0.000 |
20 |
|
[U10]M:1305 |
15 |
1 |
1121 |
◊ |
L |
x,y,z |
1_555 |
35 |
10 |
17428 |
226.3 |
-6.5 |
0.432 |
0 |
0 |
0 |
0.029 |
21 |
|
[BPH]M:1284 |
34 |
1 |
1347 |
f |
M |
x,y,z |
1_555 |
32 |
10 |
18401 |
222.1 |
-7.1 |
0.214 |
0 |
0 |
0 |
0.070 |
22 |
|
[BPH]M:1304 |
32 |
1 |
1318 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
21 |
1 |
1369 |
206.1 |
-1.1 |
0.708 |
0 |
0 |
0 |
0.005 |
23 |
|
[BCL]L:1283 |
25 |
1 |
1196 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
28 |
1 |
1332 |
187.6 |
-1.9 |
0.609 |
0 |
0 |
0 |
0.033 |
24 |
|
L |
21 |
6 |
17428 |
◊ |
L |
-x,-y-1,z |
2_545 |
21 |
6 |
17428 |
181.1 |
-0.9 |
0.878 |
2 |
0 |
0 |
0.000 |
25 |
|
[LDA]H:1310 |
12 |
1 |
468 |
◊ |
H |
x,y,z |
1_555 |
21 |
9 |
14098 |
178.9 |
1.0 |
0.097 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
17 |
6 |
14098 |
x |
H |
-x+1/2,y-1/2,-z-1/2 |
5_544 |
20 |
8 |
14098 |
175.3 |
-3.8 |
0.190 |
0 |
0 |
0 |
0.000 |
27 |
|
[BPH]M:1284 |
35 |
1 |
1347 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
20 |
1 |
1332 |
173.8 |
-0.3 |
0.747 |
0 |
0 |
0 |
0.001 |
28 |
|
[BCL]M:1302 |
22 |
1 |
907 |
f |
[BCL]M:1303 |
x,y,z |
1_555 |
26 |
1 |
1369 |
171.3 |
-1.8 |
0.773 |
0 |
0 |
0 |
0.018 |
29 |
|
[BCL]M:1303 |
29 |
1 |
1369 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
30 |
1 |
1332 |
151.6 |
-3.5 |
0.537 |
0 |
0 |
0 |
0.016 |
30 |
|
L |
17 |
5 |
17428 |
◊ |
H |
-x,-y-1,z |
2_545 |
14 |
5 |
14098 |
134.2 |
-0.9 |
0.712 |
0 |
0 |
0 |
0.000 |
31 |
|
[BCL]M:1303 |
21 |
1 |
1369 |
◊ |
L |
x,y,z |
1_555 |
22 |
8 |
17428 |
134.1 |
-1.8 |
0.669 |
0 |
0 |
0 |
0.008 |
32 |
|
[LDA]H:1310 |
13 |
1 |
468 |
◊ |
M |
x,y,z |
1_555 |
16 |
5 |
18401 |
129.3 |
1.6 |
0.111 |
0 |
0 |
0 |
0.000 |
33 |
|
[CDL]M:1309 |
9 |
1 |
334 |
f |
M |
x,y,z |
1_555 |
16 |
5 |
18401 |
123.4 |
1.7 |
0.915 |
4 |
0 |
0 |
0.001 |
34 |
|
[BPH]M:1304 |
12 |
1 |
1318 |
◊ |
[BCL]M:1302 |
x,y,z |
1_555 |
21 |
1 |
907 |
107.7 |
-1.8 |
0.605 |
0 |
0 |
0 |
0.008 |
35 |
|
[BCL]L:1282 |
20 |
1 |
1332 |
◊ |
M |
x,y,z |
1_555 |
14 |
6 |
18401 |
106.8 |
-2.4 |
0.440 |
0 |
0 |
0 |
0.010 |
36 |
|
[U10]M:1305 |
14 |
1 |
1121 |
f |
[BPH]M:1284 |
x,y,z |
1_555 |
6 |
1 |
1347 |
94.4 |
-2.0 |
0.584 |
0 |
0 |
0 |
0.020 |
37 |
|
H |
10 |
3 |
14098 |
x |
H |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
10 |
5 |
14098 |
91.4 |
-1.5 |
0.410 |
1 |
0 |
0 |
0.000 |
38 |
|
[CL]M:1308 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
13 |
6 |
18401 |
70.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.120 |
39 |
|
[CDL]M:1309 |
7 |
1 |
334 |
◊ |
L |
x,y,z |
1_555 |
14 |
4 |
17428 |
58.6 |
0.5 |
0.908 |
0 |
0 |
0 |
0.000 |
40 |
|
[CDL]M:1309 |
7 |
1 |
334 |
◊ |
L |
-x,-y-1,z |
2_545 |
4 |
1 |
17428 |
58.2 |
1.3 |
0.980 |
2 |
0 |
0 |
0.000 |
41 |
|
M |
4 |
2 |
18401 |
◊ |
M |
y,x,-z |
7_555 |
4 |
2 |
18401 |
52.3 |
2.4 |
0.983 |
2 |
4 |
0 |
0.000 |
42 |
|
[BCL]M:1302 |
7 |
1 |
907 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
8 |
1 |
1332 |
51.1 |
-1.5 |
0.569 |
0 |
0 |
0 |
0.007 |
43 |
|
H |
6 |
2 |
14098 |
◊ |
L |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
3 |
2 |
17428 |
50.4 |
-0.4 |
0.621 |
0 |
0 |
0 |
0.000 |
44 |
|
[FE2]M:1307 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18401 |
49.9 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.087 |
45 |
|
[U10]M:1305 |
9 |
1 |
1121 |
◊ |
[LDA]H:1310 |
x,y,z |
1_555 |
2 |
1 |
468 |
49.5 |
1.5 |
0.778 |
0 |
0 |
0 |
0.000 |
46 |
|
[U10]M:1305 |
6 |
1 |
1121 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
4 |
1 |
1332 |
48.4 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
47 |
|
L |
5 |
4 |
17428 |
◊ |
L |
y,x,-z |
7_555 |
5 |
4 |
17428 |
48.0 |
1.2 |
0.952 |
0 |
0 |
0 |
0.000 |
48 |
|
[FE2]M:1307 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17428 |
45.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.029 |
49 |
|
[BCL]L:1283 |
5 |
1 |
1196 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
8 |
1 |
1369 |
40.5 |
-1.0 |
0.501 |
0 |
0 |
0 |
0.004 |
50 |
|
[U10]M:1305 |
3 |
1 |
1121 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
5 |
1 |
1196 |
40.5 |
0.7 |
0.640 |
0 |
0 |
0 |
0.000 |
51 |
|
H |
3 |
1 |
14098 |
◊ |
H |
-x,-y-1,z |
2_545 |
3 |
1 |
14098 |
36.3 |
-1.2 |
0.197 |
0 |
0 |
0 |
0.000 |
52 |
|
M |
4 |
3 |
18401 |
◊ |
L |
-x,-y-1,z |
2_545 |
2 |
1 |
17428 |
30.4 |
0.9 |
0.671 |
0 |
0 |
0 |
0.000 |
53 |
|
[LDA]H:1310 |
2 |
1 |
468 |
f |
L |
x,y,z |
1_555 |
3 |
2 |
17428 |
17.5 |
-0.3 |
0.342 |
0 |
0 |
0 |
0.006 |
54 |
|
[CDL]M:1309 |
4 |
1 |
334 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
14098 |
14.5 |
0.5 |
0.939 |
0 |
0 |
0 |
0.000 |
55 |
|
[BPH]M:1304 |
1 |
1 |
1318 |
f |
[U10]L:1306 |
x,y,z |
1_555 |
3 |
1 |
588 |
8.9 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
56 |
|
[U10]L:1306 |
1 |
1 |
588 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14098 |
6.8 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
57 |
|
[U10]M:1305 |
1 |
1 |
1121 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14098 |
4.1 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
58 |
|
[U10]L:1306 |
2 |
1 |
588 |
◊ |
M |
x,y,z |
1_555 |
2 |
2 |
18401 |
3.8 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
59 |
|
[BCL]L:1283 |
2 |
1 |
1196 |
f |
[LDA]H:1310 |
x,y,z |
1_555 |
1 |
1 |
468 |
3.1 |
0.2 |
0.334 |
0 |
0 |
0 |
0.000 |
60 |
|
[U10]M:1305 |
1 |
1 |
1121 |
f |
[FE2]M:1307 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
61 |
|
[CDL]M:1309 |
1 |
1 |
334 |
◊ |
[CDL]M:1309 |
-x,-y-1,z |
2_545 |
1 |
1 |
334 |
0.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|