## |
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 |
468 |
116 |
19010 |
◊ |
L |
x,y,z |
1_555 |
447 |
104 |
17853 |
4191.0 |
-66.2 |
0.874 |
50 |
12 |
0 |
0.401 |
2 |
|
M |
252 |
62 |
19010 |
◊ |
H |
x,y,z |
1_555 |
284 |
80 |
14789 |
2621.7 |
-20.1 |
0.893 |
37 |
17 |
0 |
0.439 |
3 |
|
L |
153 |
39 |
17853 |
◊ |
H |
x,y,z |
1_555 |
186 |
55 |
14789 |
1506.6 |
-15.5 |
0.837 |
15 |
1 |
0 |
0.355 |
4 |
|
[SPO]M:1311 |
41 |
1 |
1162 |
f |
M |
x,y,z |
1_555 |
106 |
29 |
19010 |
749.9 |
-7.9 |
0.535 |
1 |
0 |
0 |
0.094 |
5 |
|
[BCL]M:1304 |
56 |
1 |
1368 |
f |
M |
x,y,z |
1_555 |
76 |
29 |
19010 |
579.0 |
-10.8 |
0.428 |
1 |
0 |
0 |
0.126 |
6 |
|
[BCL]L:1285 |
54 |
1 |
1331 |
f |
L |
x,y,z |
1_555 |
85 |
28 |
17853 |
543.5 |
-8.5 |
0.665 |
2 |
0 |
0 |
0.150 |
7 |
|
[BPH]L:1283 |
49 |
1 |
1341 |
◊ |
L |
x,y,z |
1_555 |
84 |
28 |
17853 |
533.2 |
-6.4 |
0.744 |
1 |
0 |
0 |
0.031 |
8 |
|
[BPH]M:1309 |
44 |
1 |
1341 |
◊ |
M |
x,y,z |
1_555 |
71 |
20 |
19010 |
486.0 |
-5.7 |
0.645 |
1 |
0 |
0 |
0.027 |
9 |
|
[U10]M:1310 |
37 |
1 |
1200 |
◊ |
M |
x,y,z |
1_555 |
68 |
20 |
19010 |
453.8 |
-6.3 |
0.835 |
2 |
0 |
0 |
0.032 |
10 |
|
[BCL]M:1303 |
38 |
1 |
1195 |
f |
M |
x,y,z |
1_555 |
39 |
15 |
19010 |
376.3 |
-9.7 |
0.167 |
0 |
0 |
0 |
0.109 |
11 |
|
M |
33 |
12 |
19010 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
30 |
11 |
17853 |
345.6 |
-3.1 |
0.775 |
3 |
0 |
0 |
0.000 |
12 |
|
L |
35 |
11 |
17853 |
◊ |
H |
-y+1,x-y+1,z+1/3 |
2_665 |
35 |
12 |
14789 |
337.5 |
-3.4 |
0.700 |
2 |
0 |
0 |
0.000 |
13 |
|
H |
34 |
12 |
14789 |
◊ |
H |
y,x,-z |
4_555 |
36 |
12 |
14789 |
312.0 |
-4.6 |
0.460 |
1 |
0 |
0 |
0.000 |
14 |
|
[BCL]L:1282 |
35 |
1 |
1191 |
f |
L |
x,y,z |
1_555 |
38 |
12 |
17853 |
307.3 |
-8.8 |
0.287 |
0 |
0 |
0 |
0.140 |
15 |
|
H |
34 |
13 |
14789 |
◊ |
M |
-x+1,-x+y,-z+1/3 |
6_655 |
28 |
8 |
19010 |
296.6 |
-1.3 |
0.822 |
5 |
0 |
0 |
0.000 |
16 |
|
[UQ2]L:1284 |
20 |
1 |
594 |
f |
L |
x,y,z |
1_555 |
45 |
15 |
17853 |
290.8 |
-4.0 |
0.706 |
1 |
0 |
0 |
0.071 |
17 |
|
[U10]M:1310 |
18 |
1 |
1200 |
f |
L |
x,y,z |
1_555 |
42 |
11 |
17853 |
268.3 |
-7.9 |
0.479 |
0 |
0 |
0 |
0.125 |
18 |
|
[BPH]M:1309 |
27 |
1 |
1341 |
f |
L |
x,y,z |
1_555 |
30 |
9 |
17853 |
256.5 |
-8.2 |
0.242 |
0 |
0 |
0 |
0.130 |
19 |
|
[BCL]M:1303 |
30 |
1 |
1195 |
◊ |
L |
x,y,z |
1_555 |
36 |
8 |
17853 |
254.7 |
-4.7 |
0.581 |
1 |
0 |
0 |
0.023 |
20 |
|
[BPH]L:1283 |
25 |
1 |
1341 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
31 |
1 |
1191 |
231.4 |
-1.7 |
0.639 |
0 |
0 |
0 |
0.007 |
21 |
|
[BCL]L:1282 |
27 |
1 |
1191 |
◊ |
M |
x,y,z |
1_555 |
27 |
9 |
19010 |
226.7 |
-2.9 |
0.486 |
0 |
0 |
0 |
0.013 |
22 |
|
[BPH]L:1283 |
31 |
1 |
1341 |
f |
M |
x,y,z |
1_555 |
32 |
10 |
19010 |
224.1 |
-7.2 |
0.219 |
0 |
0 |
0 |
0.081 |
23 |
|
[BPH]M:1309 |
37 |
1 |
1341 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
22 |
1 |
1368 |
223.3 |
0.8 |
0.780 |
0 |
0 |
0 |
0.000 |
24 |
|
[LDA]M:1305 |
14 |
1 |
526 |
f |
M |
x,y,z |
1_555 |
28 |
11 |
19010 |
202.0 |
-1.8 |
0.158 |
0 |
0 |
0 |
0.021 |
25 |
|
[HTO]L:1286 |
10 |
1 |
326 |
f |
L |
x,y,z |
1_555 |
34 |
12 |
17853 |
194.1 |
3.5 |
0.212 |
1 |
0 |
0 |
0.000 |
26 |
|
[BCL]L:1285 |
29 |
1 |
1331 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
22 |
1 |
1191 |
193.2 |
-0.1 |
0.727 |
0 |
0 |
0 |
0.002 |
27 |
|
[BCL]M:1304 |
27 |
1 |
1368 |
f |
[BCL]M:1303 |
x,y,z |
1_555 |
24 |
1 |
1195 |
185.9 |
-0.4 |
0.706 |
0 |
0 |
0 |
0.004 |
28 |
|
[LDA]M:1306 |
13 |
1 |
507 |
f |
H |
x,y,z |
1_555 |
24 |
9 |
14789 |
182.0 |
-0.4 |
0.227 |
1 |
0 |
0 |
0.040 |
29 |
|
[BCL]L:1285 |
20 |
1 |
1331 |
◊ |
[BPH]L:1283 |
x,y,z |
1_555 |
34 |
1 |
1341 |
172.9 |
-0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
30 |
|
H |
22 |
6 |
14789 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
20 |
9 |
17853 |
166.3 |
-2.6 |
0.599 |
0 |
0 |
0 |
0.000 |
31 |
|
[SPO]M:1311 |
17 |
1 |
1162 |
f |
[BCL]M:1303 |
x,y,z |
1_555 |
21 |
1 |
1195 |
156.9 |
-1.0 |
0.521 |
0 |
0 |
0 |
0.011 |
32 |
|
[LDA]M:1307 |
12 |
1 |
518 |
◊ |
M |
x,y,z |
1_555 |
19 |
8 |
19010 |
155.8 |
1.5 |
0.414 |
0 |
0 |
0 |
0.000 |
33 |
|
[BCL]M:1304 |
26 |
1 |
1368 |
◊ |
[BCL]L:1285 |
x,y,z |
1_555 |
27 |
1 |
1331 |
151.0 |
-3.7 |
0.518 |
0 |
0 |
0 |
0.016 |
34 |
|
[LDA]M:1306 |
13 |
1 |
507 |
◊ |
M |
x,y,z |
1_555 |
16 |
5 |
19010 |
139.0 |
2.0 |
0.388 |
1 |
0 |
0 |
0.000 |
35 |
|
[BPH]M:1309 |
11 |
1 |
1341 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
22 |
1 |
1195 |
129.8 |
-0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
36 |
|
[BCL]M:1304 |
15 |
1 |
1368 |
◊ |
L |
x,y,z |
1_555 |
20 |
7 |
17853 |
128.5 |
-1.9 |
0.615 |
0 |
0 |
0 |
0.008 |
37 |
|
[LDA]M:1305 |
13 |
1 |
526 |
◊ |
H |
x,y,z |
1_555 |
13 |
6 |
14789 |
122.0 |
-1.4 |
0.100 |
0 |
0 |
0 |
0.016 |
38 |
|
[BCL]L:1285 |
13 |
1 |
1331 |
◊ |
M |
x,y,z |
1_555 |
15 |
6 |
19010 |
106.9 |
-2.0 |
0.521 |
0 |
0 |
0 |
0.009 |
39 |
|
[GOL]L:1287 |
6 |
1 |
217 |
f |
L |
x,y,z |
1_555 |
16 |
8 |
17853 |
100.2 |
-1.2 |
0.610 |
2 |
0 |
0 |
0.033 |
40 |
|
[LDA]M:1305 |
10 |
1 |
526 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
11 |
1 |
1191 |
98.3 |
1.6 |
0.381 |
0 |
0 |
0 |
0.000 |
41 |
|
[U10]M:1310 |
9 |
1 |
1200 |
◊ |
[BPH]L:1283 |
x,y,z |
1_555 |
9 |
1 |
1341 |
87.8 |
-1.8 |
0.575 |
0 |
0 |
0 |
0.008 |
42 |
|
[LDA]M:1307 |
9 |
1 |
518 |
◊ |
L |
x,y,z |
1_555 |
10 |
3 |
17853 |
83.7 |
0.7 |
0.378 |
0 |
0 |
0 |
0.000 |
43 |
|
[GOL]H:1251 |
4 |
1 |
222 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
14789 |
68.4 |
0.1 |
0.536 |
1 |
0 |
0 |
0.006 |
44 |
|
[GOL]H:1252 |
5 |
1 |
221 |
f |
L |
x,y,z |
1_555 |
13 |
7 |
17853 |
68.1 |
0.1 |
0.731 |
2 |
0 |
0 |
0.013 |
45 |
|
[GOL]H:1252 |
5 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
14789 |
67.1 |
-0.4 |
0.547 |
0 |
0 |
0 |
0.007 |
46 |
|
[U10]M:1310 |
9 |
1 |
1200 |
◊ |
[LDA]M:1306 |
x,y,z |
1_555 |
4 |
1 |
507 |
62.6 |
0.3 |
0.484 |
0 |
0 |
0 |
0.000 |
47 |
|
[GOL]H:1253 |
5 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
10 |
1 |
14789 |
52.9 |
-1.2 |
0.459 |
0 |
0 |
0 |
0.060 |
48 |
|
L |
6 |
2 |
17853 |
x |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
17853 |
52.4 |
1.3 |
0.920 |
2 |
3 |
0 |
0.000 |
49 |
|
[FE]M:1308 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
8 |
4 |
19010 |
48.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.092 |
50 |
|
[FE]M:1308 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17853 |
45.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.030 |
51 |
|
[U10]M:1310 |
7 |
1 |
1200 |
f |
[BCL]L:1285 |
x,y,z |
1_555 |
3 |
1 |
1331 |
45.8 |
0.5 |
0.822 |
0 |
0 |
0 |
0.000 |
52 |
|
[BCL]L:1285 |
8 |
1 |
1331 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
5 |
1 |
1195 |
45.1 |
-1.2 |
0.479 |
0 |
0 |
0 |
0.005 |
53 |
|
[LDA]M:1307 |
4 |
1 |
518 |
◊ |
[UQ2]L:1284 |
x,y,z |
1_555 |
7 |
1 |
594 |
44.0 |
0.0 |
0.401 |
0 |
0 |
0 |
0.000 |
54 |
|
[UQ2]L:1284 |
5 |
1 |
594 |
◊ |
M |
x,y,z |
1_555 |
6 |
2 |
19010 |
43.8 |
-1.4 |
0.424 |
0 |
0 |
0 |
0.006 |
55 |
|
[LDA]M:1306 |
2 |
1 |
507 |
◊ |
[LDA]M:1305 |
x,y,z |
1_555 |
5 |
1 |
526 |
43.7 |
-0.2 |
0.131 |
0 |
0 |
0 |
0.002 |
56 |
|
[GOL]H:1252 |
4 |
1 |
221 |
f |
[GOL]H:1251 |
x,y,z |
1_555 |
3 |
1 |
222 |
41.6 |
-0.4 |
0.469 |
0 |
0 |
0 |
0.006 |
57 |
|
[U10]M:1310 |
4 |
1 |
1200 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
4 |
1 |
1191 |
38.0 |
0.5 |
0.720 |
0 |
0 |
0 |
0.000 |
58 |
|
[BCL]M:1304 |
7 |
1 |
1368 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
5 |
1 |
1191 |
36.5 |
-1.0 |
0.503 |
0 |
0 |
0 |
0.004 |
59 |
|
[GOL]H:1251 |
3 |
1 |
222 |
◊ |
M |
x,y,z |
1_555 |
7 |
2 |
19010 |
30.7 |
0.4 |
0.670 |
1 |
0 |
0 |
0.000 |
60 |
|
[GOL]H:1251 |
3 |
1 |
222 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
17853 |
26.9 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
61 |
|
[LDA]M:1306 |
1 |
1 |
507 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
3 |
1 |
1191 |
13.9 |
0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
62 |
|
[LDA]M:1307 |
1 |
1 |
518 |
f |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
2 |
17853 |
12.7 |
-0.3 |
0.436 |
0 |
0 |
0 |
0.005 |
63 |
|
[LDA]M:1305 |
1 |
1 |
526 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
17853 |
12.4 |
-0.4 |
0.351 |
0 |
0 |
0 |
0.002 |
64 |
|
[U10]M:1310 |
1 |
1 |
1200 |
◊ |
[LDA]M:1305 |
x,y,z |
1_555 |
3 |
1 |
526 |
11.2 |
-0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
65 |
|
L |
2 |
2 |
17853 |
◊ |
H |
y,x,-z |
4_555 |
3 |
2 |
14789 |
10.2 |
-0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
66 |
|
[BPH]M:1309 |
1 |
1 |
1341 |
◊ |
[LDA]M:1307 |
x,y,z |
1_555 |
1 |
1 |
518 |
4.4 |
0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
67 |
|
[BPH]M:1309 |
1 |
1 |
1341 |
f |
[UQ2]L:1284 |
x,y,z |
1_555 |
1 |
1 |
594 |
2.6 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.001 |
68 |
|
[U10]M:1310 |
1 |
1 |
1200 |
◊ |
[FE]M:1308 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[SPO]M:1311 |
1 |
1 |
1162 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
1 |
1 |
1368 |
1.0 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
70 |
|
[U10]M:1310 |
1 |
1 |
1200 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14789 |
0.9 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
71 |
|
[HTO]L:1286 |
1 |
1 |
326 |
f |
[GOL]L:1287 |
x,y,z |
1_555 |
1 |
1 |
217 |
0.9 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
72 |
|
[LDA]M:1306 |
1 |
1 |
507 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
17853 |
0.3 |
0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
|