## |
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 |
471 |
116 |
18865 |
◊ |
L |
x,y,z |
1_555 |
460 |
109 |
17524 |
4182.5 |
-62.4 |
0.925 |
50 |
13 |
0 |
0.413 |
2 |
|
M |
258 |
62 |
18865 |
◊ |
H |
x,y,z |
1_555 |
282 |
80 |
14518 |
2574.2 |
-20.4 |
0.880 |
36 |
15 |
0 |
0.390 |
3 |
|
L |
151 |
38 |
17524 |
◊ |
H |
x,y,z |
1_555 |
173 |
55 |
14518 |
1504.5 |
-16.5 |
0.711 |
17 |
2 |
0 |
0.417 |
4 |
|
[SPO]M:1314 |
41 |
1 |
1158 |
f |
M |
x,y,z |
1_555 |
101 |
29 |
18865 |
738.2 |
-7.8 |
0.535 |
1 |
0 |
0 |
0.083 |
5 |
|
[BCL]M:1304 |
58 |
1 |
1362 |
f |
M |
x,y,z |
1_555 |
76 |
29 |
18865 |
563.9 |
-10.4 |
0.445 |
1 |
0 |
0 |
0.109 |
6 |
|
[BCL]L:1282 |
57 |
1 |
1327 |
f |
L |
x,y,z |
1_555 |
89 |
28 |
17524 |
532.8 |
-8.1 |
0.682 |
2 |
0 |
0 |
0.155 |
7 |
|
[BPH]L:1284 |
52 |
1 |
1344 |
◊ |
L |
x,y,z |
1_555 |
87 |
28 |
17524 |
520.8 |
-6.0 |
0.786 |
1 |
0 |
0 |
0.031 |
8 |
|
[BPH]M:1312 |
47 |
1 |
1338 |
◊ |
M |
x,y,z |
1_555 |
68 |
20 |
18865 |
469.4 |
-5.3 |
0.645 |
1 |
0 |
0 |
0.027 |
9 |
|
[U10]M:1313 |
36 |
1 |
1172 |
f |
M |
x,y,z |
1_555 |
69 |
20 |
18865 |
433.6 |
-6.2 |
0.789 |
2 |
0 |
0 |
0.072 |
10 |
|
[BCL]M:1303 |
41 |
1 |
1191 |
f |
M |
x,y,z |
1_555 |
39 |
16 |
18865 |
380.0 |
-10.3 |
0.128 |
0 |
0 |
0 |
0.104 |
11 |
|
L |
35 |
10 |
17524 |
◊ |
H |
-y+1,x-y+1,z+1/3 |
2_665 |
39 |
13 |
14518 |
358.0 |
-3.2 |
0.756 |
4 |
0 |
0 |
0.000 |
12 |
|
[UQ2]L:1285 |
23 |
1 |
584 |
f |
L |
x,y,z |
1_555 |
53 |
19 |
17524 |
335.0 |
-3.5 |
0.769 |
5 |
0 |
0 |
0.098 |
13 |
|
[BCL]L:1283 |
39 |
1 |
1182 |
f |
L |
x,y,z |
1_555 |
39 |
12 |
17524 |
312.3 |
-8.0 |
0.306 |
0 |
0 |
0 |
0.137 |
14 |
|
H |
37 |
13 |
14518 |
◊ |
M |
-x+1,-x+y,-z+1/3 |
6_655 |
30 |
9 |
18865 |
311.5 |
-1.7 |
0.811 |
6 |
0 |
0 |
0.000 |
15 |
|
M |
29 |
13 |
18865 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
26 |
9 |
17524 |
282.0 |
-4.5 |
0.464 |
1 |
0 |
0 |
0.003 |
16 |
|
[U10]M:1313 |
15 |
1 |
1172 |
◊ |
L |
x,y,z |
1_555 |
37 |
11 |
17524 |
244.1 |
-6.7 |
0.440 |
0 |
0 |
0 |
0.032 |
17 |
|
[BCL]M:1303 |
29 |
1 |
1191 |
◊ |
L |
x,y,z |
1_555 |
34 |
8 |
17524 |
243.5 |
-4.5 |
0.553 |
2 |
0 |
0 |
0.026 |
18 |
|
[BPH]M:1312 |
34 |
1 |
1338 |
f |
L |
x,y,z |
1_555 |
28 |
9 |
17524 |
242.6 |
-7.9 |
0.237 |
0 |
0 |
0 |
0.136 |
19 |
|
[BPH]L:1284 |
26 |
1 |
1344 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
35 |
1 |
1182 |
234.1 |
-0.5 |
0.683 |
0 |
0 |
0 |
0.003 |
20 |
|
[BPH]L:1284 |
34 |
1 |
1344 |
f |
M |
x,y,z |
1_555 |
34 |
10 |
18865 |
222.4 |
-7.4 |
0.231 |
0 |
0 |
0 |
0.074 |
21 |
|
[LDA]M:1306 |
15 |
1 |
516 |
◊ |
M |
x,y,z |
1_555 |
36 |
7 |
18865 |
216.5 |
2.1 |
0.492 |
0 |
0 |
0 |
0.000 |
22 |
|
[BCL]L:1283 |
27 |
1 |
1182 |
◊ |
M |
x,y,z |
1_555 |
29 |
9 |
18865 |
215.9 |
-2.7 |
0.517 |
0 |
0 |
0 |
0.013 |
23 |
|
[BPH]M:1312 |
37 |
1 |
1338 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
21 |
1 |
1362 |
210.1 |
0.6 |
0.798 |
0 |
0 |
0 |
0.000 |
24 |
|
[HTO]L:1287 |
10 |
1 |
328 |
f |
L |
x,y,z |
1_555 |
32 |
12 |
17524 |
193.7 |
3.6 |
0.166 |
1 |
0 |
0 |
0.000 |
25 |
|
[LDA]M:1305 |
13 |
1 |
524 |
f |
M |
x,y,z |
1_555 |
26 |
10 |
18865 |
192.3 |
-1.6 |
0.172 |
0 |
0 |
0 |
0.016 |
26 |
|
[BCL]L:1283 |
23 |
1 |
1182 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
27 |
1 |
1327 |
180.5 |
-0.1 |
0.685 |
0 |
0 |
0 |
0.002 |
27 |
|
[BCL]M:1303 |
24 |
1 |
1191 |
f |
[BCL]M:1304 |
x,y,z |
1_555 |
26 |
1 |
1362 |
177.2 |
-0.1 |
0.722 |
0 |
0 |
0 |
0.001 |
28 |
|
[BPH]L:1284 |
36 |
1 |
1344 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
20 |
1 |
1327 |
173.4 |
-0.2 |
0.741 |
0 |
0 |
0 |
0.001 |
29 |
|
[LDA]M:1307 |
14 |
1 |
495 |
f |
H |
x,y,z |
1_555 |
22 |
9 |
14518 |
171.2 |
-0.3 |
0.260 |
1 |
0 |
0 |
0.018 |
30 |
|
[SPO]M:1314 |
19 |
1 |
1158 |
f |
[BCL]M:1303 |
x,y,z |
1_555 |
20 |
1 |
1191 |
165.8 |
-1.4 |
0.477 |
0 |
0 |
0 |
0.015 |
31 |
|
H |
17 |
7 |
14518 |
◊ |
H |
y,x,-z |
4_555 |
16 |
7 |
14518 |
160.7 |
-2.7 |
0.392 |
3 |
0 |
0 |
0.000 |
32 |
|
H |
21 |
7 |
14518 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
18 |
8 |
17524 |
158.8 |
-1.4 |
0.725 |
1 |
0 |
0 |
0.001 |
33 |
|
[LDA]M:1310 |
15 |
1 |
519 |
◊ |
M |
x,y,z |
1_555 |
16 |
5 |
18865 |
157.3 |
0.5 |
0.163 |
0 |
0 |
0 |
0.000 |
34 |
|
[LDA]M:1309 |
11 |
1 |
516 |
◊ |
M |
x,y,z |
1_555 |
20 |
8 |
18865 |
153.5 |
2.4 |
0.535 |
0 |
0 |
0 |
0.000 |
35 |
|
[BCL]M:1304 |
29 |
1 |
1362 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
28 |
1 |
1327 |
150.1 |
-3.4 |
0.538 |
0 |
0 |
0 |
0.016 |
36 |
|
[BCL]M:1304 |
19 |
1 |
1362 |
◊ |
L |
x,y,z |
1_555 |
22 |
8 |
17524 |
130.1 |
-1.8 |
0.663 |
0 |
0 |
0 |
0.009 |
37 |
|
[BPH]M:1312 |
11 |
1 |
1338 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
25 |
1 |
1191 |
127.6 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
38 |
|
[LDA]M:1305 |
13 |
1 |
524 |
◊ |
H |
x,y,z |
1_555 |
11 |
6 |
14518 |
115.0 |
-0.8 |
0.102 |
0 |
0 |
0 |
0.008 |
39 |
|
[LDA]M:1307 |
13 |
1 |
495 |
◊ |
M |
x,y,z |
1_555 |
14 |
5 |
18865 |
113.2 |
1.8 |
0.442 |
1 |
0 |
0 |
0.000 |
40 |
|
[BPH]M:1312 |
14 |
1 |
1338 |
f |
[LDA]M:1310 |
x,y,z |
1_555 |
11 |
1 |
519 |
112.5 |
1.8 |
0.348 |
0 |
0 |
0 |
0.000 |
41 |
|
[BCL]L:1282 |
17 |
1 |
1327 |
◊ |
M |
x,y,z |
1_555 |
15 |
6 |
18865 |
107.8 |
-2.2 |
0.495 |
0 |
0 |
0 |
0.011 |
42 |
|
[LDA]M:1310 |
9 |
1 |
519 |
f |
[LDA]M:1309 |
x,y,z |
1_555 |
8 |
1 |
516 |
100.9 |
4.1 |
0.337 |
0 |
0 |
0 |
0.000 |
43 |
|
[U10]M:1313 |
12 |
1 |
1172 |
f |
[BPH]L:1284 |
x,y,z |
1_555 |
6 |
1 |
1344 |
95.6 |
-1.9 |
0.598 |
0 |
0 |
0 |
0.019 |
44 |
|
[LDA]M:1308 |
10 |
1 |
506 |
◊ |
[LDA]M:1307 |
x,y,z |
1_555 |
10 |
1 |
495 |
94.7 |
2.9 |
0.222 |
0 |
0 |
0 |
0.000 |
45 |
|
[GOL]H:1252 |
6 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
14518 |
91.6 |
-1.0 |
0.530 |
0 |
0 |
0 |
0.026 |
46 |
|
[LDA]M:1305 |
11 |
1 |
524 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
12 |
1 |
1182 |
88.4 |
1.1 |
0.336 |
0 |
0 |
0 |
0.000 |
47 |
|
[GOL]H:1251 |
4 |
1 |
222 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
14518 |
81.0 |
0.3 |
0.647 |
3 |
0 |
0 |
0.026 |
48 |
|
[PO4]L:1286 |
5 |
1 |
188 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
17524 |
79.8 |
-3.3 |
0.962 |
3 |
0 |
0 |
0.080 |
49 |
|
[GOL]L:1288 |
5 |
1 |
221 |
f |
L |
x,y,z |
1_555 |
13 |
8 |
17524 |
76.3 |
0.2 |
0.759 |
2 |
0 |
0 |
0.012 |
50 |
|
[LDA]M:1309 |
9 |
1 |
516 |
f |
L |
x,y,z |
1_555 |
9 |
3 |
17524 |
75.9 |
0.8 |
0.389 |
0 |
0 |
0 |
0.000 |
51 |
|
[LDA]M:1308 |
7 |
1 |
506 |
◊ |
M |
x,y,z |
1_555 |
11 |
4 |
18865 |
75.2 |
1.6 |
0.501 |
0 |
0 |
0 |
0.000 |
52 |
|
[U10]M:1313 |
7 |
1 |
1172 |
◊ |
[LDA]M:1308 |
x,y,z |
1_555 |
7 |
1 |
506 |
66.5 |
1.5 |
0.457 |
0 |
0 |
0 |
0.000 |
53 |
|
[LDA]M:1308 |
5 |
1 |
506 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
17524 |
66.2 |
-1.3 |
0.186 |
0 |
0 |
0 |
0.022 |
54 |
|
[GOL]L:1288 |
4 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
14518 |
65.6 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.008 |
55 |
|
[GOL]M:1315 |
3 |
1 |
220 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
17524 |
59.1 |
-0.8 |
0.511 |
0 |
0 |
0 |
0.014 |
56 |
|
[GOL]H:1253 |
5 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
10 |
1 |
14518 |
59.0 |
-1.1 |
0.417 |
0 |
0 |
0 |
0.030 |
57 |
|
L |
6 |
2 |
17524 |
x |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
17524 |
55.7 |
1.3 |
0.910 |
2 |
4 |
0 |
0.000 |
58 |
|
[U10]M:1313 |
7 |
1 |
1172 |
◊ |
[LDA]M:1307 |
x,y,z |
1_555 |
5 |
1 |
495 |
51.3 |
-0.3 |
0.375 |
0 |
0 |
0 |
0.003 |
59 |
|
[LDA]M:1305 |
4 |
1 |
524 |
◊ |
[GOL]M:1315 |
x,y,z |
1_555 |
5 |
1 |
220 |
49.7 |
0.8 |
0.430 |
0 |
0 |
0 |
0.000 |
60 |
|
[FE]M:1311 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18865 |
45.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.087 |
61 |
|
M |
8 |
4 |
18865 |
◊ |
[PO4]L:1286 |
-x+1,-x+y,-z+1/3 |
6_655 |
4 |
1 |
188 |
44.5 |
-2.3 |
0.897 |
2 |
0 |
0 |
0.002 |
62 |
|
[BCL]M:1303 |
6 |
1 |
1191 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
7 |
1 |
1327 |
44.4 |
-1.3 |
0.454 |
0 |
0 |
0 |
0.006 |
63 |
|
[FE]M:1311 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17524 |
44.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.032 |
64 |
|
[BPH]M:1312 |
2 |
1 |
1338 |
f |
[UQ2]L:1285 |
x,y,z |
1_555 |
5 |
1 |
584 |
42.4 |
-1.4 |
0.347 |
0 |
0 |
0 |
0.023 |
65 |
|
[U10]M:1313 |
7 |
1 |
1172 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
3 |
1 |
1327 |
41.4 |
-0.3 |
0.699 |
0 |
0 |
0 |
0.001 |
66 |
|
[GOL]H:1251 |
4 |
1 |
222 |
◊ |
M |
x,y,z |
1_555 |
8 |
2 |
18865 |
41.1 |
0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
67 |
|
[GOL]L:1288 |
3 |
1 |
221 |
◊ |
[GOL]H:1251 |
x,y,z |
1_555 |
2 |
1 |
222 |
38.3 |
-0.5 |
0.407 |
0 |
0 |
0 |
0.008 |
68 |
|
[LDA]M:1309 |
2 |
1 |
516 |
f |
[UQ2]L:1285 |
x,y,z |
1_555 |
4 |
1 |
584 |
37.6 |
-1.2 |
0.218 |
0 |
0 |
0 |
0.021 |
69 |
|
[BCL]L:1283 |
7 |
1 |
1182 |
f |
[GOL]M:1315 |
x,y,z |
1_555 |
4 |
1 |
220 |
36.4 |
-0.6 |
0.496 |
0 |
0 |
0 |
0.011 |
70 |
|
H |
3 |
1 |
14518 |
◊ |
[PO4]L:1286 |
-x+1,-x+y,-z+1/3 |
6_655 |
3 |
1 |
188 |
36.2 |
-2.1 |
0.590 |
2 |
0 |
0 |
0.002 |
71 |
|
[LDA]M:1310 |
6 |
1 |
519 |
f |
L |
x,y,z |
1_555 |
7 |
3 |
17524 |
35.8 |
0.5 |
0.396 |
0 |
0 |
0 |
0.000 |
72 |
|
[BCL]L:1283 |
4 |
1 |
1182 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
8 |
1 |
1362 |
34.5 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.004 |
73 |
|
[LDA]M:1307 |
2 |
1 |
495 |
◊ |
[LDA]M:1305 |
x,y,z |
1_555 |
5 |
1 |
524 |
34.3 |
0.2 |
0.161 |
0 |
0 |
0 |
0.000 |
74 |
|
[U10]M:1313 |
6 |
1 |
1172 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
4 |
1 |
1182 |
34.2 |
0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
75 |
|
[LDA]M:1306 |
2 |
1 |
516 |
f |
L |
x,y,z |
1_555 |
3 |
3 |
17524 |
28.9 |
-0.9 |
0.200 |
0 |
0 |
0 |
0.016 |
76 |
|
[GOL]H:1251 |
4 |
1 |
222 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
17524 |
26.7 |
0.2 |
0.684 |
1 |
0 |
0 |
0.005 |
77 |
|
[LDA]M:1308 |
4 |
1 |
506 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
3 |
1 |
1327 |
26.2 |
0.2 |
0.381 |
0 |
0 |
0 |
0.000 |
78 |
|
[GOL]M:1315 |
1 |
1 |
220 |
◊ |
[GOL]H:1253 |
x,y,z |
1_555 |
3 |
1 |
221 |
25.3 |
0.5 |
0.553 |
1 |
0 |
0 |
0.000 |
79 |
|
[UQ2]L:1285 |
2 |
1 |
584 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
1 |
1 |
1191 |
23.7 |
0.4 |
0.637 |
0 |
0 |
0 |
0.000 |
80 |
|
[LDA]M:1310 |
2 |
1 |
519 |
◊ |
[BCL]M:1304 |
x,y,z |
1_555 |
1 |
1 |
1362 |
21.0 |
0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
81 |
|
[LDA]M:1305 |
2 |
1 |
524 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
17524 |
21.0 |
-0.7 |
0.187 |
0 |
0 |
0 |
0.003 |
82 |
|
[UQ2]L:1285 |
3 |
1 |
584 |
◊ |
M |
x,y,z |
1_555 |
4 |
3 |
18865 |
18.8 |
-0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
83 |
|
[LDA]M:1308 |
2 |
1 |
506 |
f |
[BCL]L:1283 |
x,y,z |
1_555 |
3 |
1 |
1182 |
17.1 |
0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
84 |
|
[U10]M:1313 |
1 |
1 |
1172 |
f |
[LDA]M:1305 |
x,y,z |
1_555 |
2 |
1 |
524 |
15.3 |
0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
85 |
|
[LDA]M:1310 |
2 |
1 |
519 |
f |
[UQ2]L:1285 |
x,y,z |
1_555 |
1 |
1 |
584 |
12.0 |
-0.4 |
0.277 |
0 |
0 |
0 |
0.007 |
86 |
|
[GOL]M:1315 |
1 |
1 |
220 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14518 |
10.5 |
-0.0 |
0.453 |
0 |
0 |
0 |
0.000 |
87 |
|
[LDA]M:1307 |
1 |
1 |
495 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
2 |
1 |
1182 |
4.6 |
0.1 |
0.444 |
0 |
0 |
0 |
0.000 |
88 |
|
[U10]M:1313 |
1 |
1 |
1172 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
14518 |
4.4 |
0.2 |
0.744 |
0 |
0 |
0 |
0.000 |
89 |
|
[UQ2]L:1285 |
1 |
1 |
584 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14518 |
4.3 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
90 |
|
[LDA]M:1306 |
1 |
1 |
516 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14518 |
3.3 |
-0.0 |
0.338 |
0 |
0 |
0 |
0.000 |
91 |
|
[LDA]M:1305 |
1 |
1 |
524 |
◊ |
[GOL]H:1253 |
x,y,z |
1_555 |
1 |
1 |
221 |
3.3 |
0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
92 |
|
[FE]M:1311 |
1 |
1 |
137 |
◊ |
[UQ2]L:1285 |
x,y,z |
1_555 |
1 |
1 |
584 |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
93 |
|
[U10]M:1313 |
1 |
1 |
1172 |
f |
[FE]M:1311 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
94 |
|
[LDA]M:1308 |
1 |
1 |
506 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14518 |
0.9 |
0.0 |
0.431 |
0 |
0 |
0 |
0.000 |
95 |
|
[LDA]M:1307 |
1 |
1 |
495 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
17524 |
0.7 |
-0.0 |
0.411 |
0 |
0 |
0 |
0.000 |
96 |
|
[LDA]M:1308 |
1 |
1 |
506 |
◊ |
[LDA]M:1305 |
x,y,z |
1_555 |
1 |
1 |
524 |
0.4 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
|