## |
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 |
462 |
118 |
18632 |
◊ |
L |
x,y,z |
1_555 |
456 |
108 |
17667 |
4187.5 |
-62.9 |
0.912 |
51 |
14 |
0 |
0.000 |
2 |
|
H |
271 |
78 |
14707 |
◊ |
M |
x,y,z |
1_555 |
255 |
62 |
18632 |
2555.6 |
-19.6 |
0.859 |
38 |
15 |
0 |
0.376 |
3 |
|
H |
175 |
56 |
14707 |
◊ |
L |
x,y,z |
1_555 |
153 |
38 |
17667 |
1516.9 |
-18.2 |
0.651 |
13 |
2 |
0 |
0.053 |
4 |
|
[SPN]M:405 |
42 |
1 |
1160 |
f |
M |
x,y,z |
1_555 |
100 |
29 |
18632 |
734.2 |
-4.9 |
0.674 |
1 |
0 |
0 |
0.052 |
5 |
|
[U10]L:304 |
47 |
1 |
1220 |
f |
L |
x,y,z |
1_555 |
89 |
31 |
17667 |
652.5 |
-12.5 |
0.735 |
5 |
0 |
0 |
0.044 |
6 |
|
[BCL]M:402 |
58 |
1 |
1371 |
f |
M |
x,y,z |
1_555 |
75 |
29 |
18632 |
568.9 |
-10.4 |
0.448 |
0 |
0 |
0 |
0.101 |
7 |
|
[BCL]L:301 |
58 |
1 |
1330 |
f |
L |
x,y,z |
1_555 |
86 |
28 |
17667 |
530.6 |
-8.7 |
0.649 |
2 |
0 |
0 |
0.029 |
8 |
|
[BPH]L:303 |
52 |
1 |
1339 |
◊ |
L |
x,y,z |
1_555 |
87 |
28 |
17667 |
517.2 |
-6.3 |
0.783 |
1 |
0 |
0 |
0.000 |
9 |
|
[CDL]M:409 |
41 |
1 |
1617 |
f |
M |
x,y,z |
1_555 |
64 |
15 |
18632 |
491.9 |
-8.8 |
0.617 |
4 |
0 |
0 |
0.103 |
10 |
|
[BPH]M:403 |
48 |
1 |
1329 |
◊ |
M |
x,y,z |
1_555 |
72 |
21 |
18632 |
488.9 |
-5.0 |
0.711 |
2 |
0 |
0 |
0.000 |
11 |
|
[U10]M:404 |
35 |
1 |
1201 |
f |
M |
x,y,z |
1_555 |
68 |
20 |
18632 |
432.2 |
-5.5 |
0.771 |
2 |
0 |
0 |
0.062 |
12 |
|
[BCL]M:401 |
41 |
1 |
1195 |
f |
M |
x,y,z |
1_555 |
36 |
16 |
18632 |
363.9 |
-8.7 |
0.149 |
0 |
0 |
0 |
0.084 |
13 |
|
H |
37 |
11 |
14707 |
◊ |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
34 |
11 |
17667 |
345.0 |
-3.2 |
0.743 |
3 |
0 |
0 |
0.000 |
14 |
|
M |
29 |
9 |
18632 |
◊ |
H |
-x+1,-x+y,-z-5/3 |
6_653 |
36 |
14 |
14707 |
311.0 |
-1.4 |
0.822 |
4 |
1 |
0 |
0.000 |
15 |
|
[CDL]M:409 |
32 |
1 |
1617 |
◊ |
H |
x,y,z |
1_555 |
41 |
10 |
14707 |
307.8 |
-5.9 |
0.434 |
0 |
0 |
0 |
0.058 |
16 |
|
L |
30 |
9 |
17667 |
◊ |
M |
-x+1,-x+y,-z-5/3 |
6_653 |
28 |
14 |
18632 |
305.5 |
-2.8 |
0.488 |
1 |
0 |
0 |
0.000 |
17 |
|
[BCL]L:302 |
42 |
1 |
1186 |
f |
L |
x,y,z |
1_555 |
40 |
13 |
17667 |
298.4 |
-6.9 |
0.397 |
0 |
0 |
0 |
0.021 |
18 |
|
[BPH]M:403 |
33 |
1 |
1329 |
f |
L |
x,y,z |
1_555 |
29 |
9 |
17667 |
257.2 |
-8.1 |
0.264 |
0 |
0 |
0 |
0.024 |
19 |
|
[U10]M:404 |
16 |
1 |
1201 |
◊ |
L |
x,y,z |
1_555 |
37 |
11 |
17667 |
240.2 |
-6.4 |
0.511 |
0 |
0 |
0 |
0.000 |
20 |
|
[BPH]L:303 |
24 |
1 |
1339 |
◊ |
[BCL]L:302 |
x,y,z |
1_555 |
32 |
1 |
1186 |
227.9 |
-0.6 |
0.690 |
0 |
0 |
0 |
0.000 |
21 |
|
[BCL]M:401 |
28 |
1 |
1195 |
◊ |
L |
x,y,z |
1_555 |
32 |
8 |
17667 |
226.5 |
-4.1 |
0.566 |
2 |
0 |
0 |
0.000 |
22 |
|
[BPH]M:403 |
37 |
1 |
1329 |
◊ |
[BCL]M:402 |
x,y,z |
1_555 |
20 |
1 |
1371 |
223.8 |
0.9 |
0.823 |
0 |
0 |
0 |
0.000 |
23 |
|
[BPH]L:303 |
34 |
1 |
1339 |
f |
M |
x,y,z |
1_555 |
34 |
10 |
18632 |
221.1 |
-7.2 |
0.253 |
0 |
0 |
0 |
0.070 |
24 |
|
[BCL]L:302 |
29 |
1 |
1186 |
◊ |
M |
x,y,z |
1_555 |
30 |
9 |
18632 |
210.0 |
-2.5 |
0.554 |
0 |
0 |
0 |
0.000 |
25 |
|
[LDA]M:406 |
14 |
1 |
523 |
f |
M |
x,y,z |
1_555 |
28 |
9 |
18632 |
181.0 |
-2.2 |
0.157 |
0 |
0 |
0 |
0.021 |
26 |
|
[BCL]L:302 |
24 |
1 |
1186 |
f |
[BCL]L:301 |
x,y,z |
1_555 |
26 |
1 |
1330 |
174.3 |
-1.8 |
0.593 |
0 |
0 |
0 |
0.005 |
27 |
|
L |
17 |
7 |
17667 |
◊ |
H |
-x+1,-x+y,-z-5/3 |
6_653 |
23 |
7 |
14707 |
173.7 |
-1.5 |
0.720 |
0 |
0 |
0 |
0.000 |
28 |
|
[BCL]M:401 |
21 |
1 |
1195 |
f |
[BCL]M:402 |
x,y,z |
1_555 |
27 |
1 |
1371 |
172.9 |
-0.7 |
0.701 |
0 |
0 |
0 |
0.007 |
29 |
|
[BPH]L:303 |
37 |
1 |
1339 |
◊ |
[BCL]L:301 |
x,y,z |
1_555 |
20 |
1 |
1330 |
169.3 |
-0.5 |
0.738 |
0 |
0 |
0 |
0.000 |
30 |
|
H |
20 |
7 |
14707 |
◊ |
H |
x-y+1,-y+2,-z-4/3 |
5_673 |
20 |
7 |
14707 |
165.0 |
-2.7 |
0.455 |
3 |
0 |
0 |
0.000 |
31 |
|
[LDA]H:301 |
14 |
1 |
511 |
f |
H |
x,y,z |
1_555 |
24 |
9 |
14707 |
161.9 |
0.4 |
0.278 |
1 |
0 |
0 |
0.100 |
32 |
|
[SPN]M:405 |
21 |
1 |
1160 |
f |
[BCL]M:401 |
x,y,z |
1_555 |
23 |
1 |
1195 |
160.3 |
-0.9 |
0.579 |
0 |
0 |
0 |
0.009 |
33 |
|
[BCL]M:402 |
29 |
1 |
1371 |
◊ |
[BCL]L:301 |
x,y,z |
1_555 |
32 |
1 |
1330 |
152.1 |
-3.6 |
0.547 |
0 |
0 |
0 |
0.000 |
34 |
|
[BCL]M:402 |
20 |
1 |
1371 |
◊ |
L |
x,y,z |
1_555 |
22 |
8 |
17667 |
134.4 |
-1.7 |
0.679 |
0 |
0 |
0 |
0.000 |
35 |
|
[D12]H:302 |
11 |
1 |
436 |
◊ |
H |
x,y,z |
1_555 |
20 |
5 |
14707 |
133.0 |
1.8 |
0.116 |
0 |
0 |
0 |
0.000 |
36 |
|
[BPH]M:403 |
13 |
1 |
1329 |
◊ |
[BCL]M:401 |
x,y,z |
1_555 |
23 |
1 |
1195 |
129.6 |
-0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
37 |
|
[D12]H:303 |
9 |
1 |
354 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
14707 |
120.6 |
3.3 |
0.534 |
0 |
0 |
0 |
0.000 |
38 |
|
[U10]L:304 |
12 |
1 |
1220 |
◊ |
[BCL]M:401 |
x,y,z |
1_555 |
13 |
1 |
1195 |
106.5 |
-1.8 |
0.679 |
0 |
0 |
0 |
0.000 |
39 |
|
[LDA]M:406 |
9 |
1 |
523 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
14707 |
102.1 |
-1.2 |
0.115 |
0 |
0 |
0 |
0.012 |
40 |
|
[U10]M:404 |
17 |
1 |
1201 |
f |
[BPH]L:303 |
x,y,z |
1_555 |
10 |
1 |
1339 |
102.1 |
-1.8 |
0.694 |
0 |
0 |
0 |
0.017 |
41 |
|
[BCL]L:301 |
20 |
1 |
1330 |
◊ |
M |
x,y,z |
1_555 |
16 |
6 |
18632 |
100.7 |
-2.2 |
0.520 |
0 |
0 |
0 |
0.000 |
42 |
|
[LDA]H:301 |
13 |
1 |
511 |
◊ |
M |
x,y,z |
1_555 |
15 |
5 |
18632 |
95.8 |
2.0 |
0.437 |
0 |
0 |
0 |
0.000 |
43 |
|
[CDL]M:409 |
11 |
1 |
1617 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
17667 |
91.7 |
0.4 |
0.856 |
0 |
0 |
0 |
0.000 |
44 |
|
[D12]H:305 |
8 |
1 |
327 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
14707 |
90.2 |
2.0 |
0.472 |
0 |
0 |
0 |
0.000 |
45 |
|
[LDA]M:406 |
10 |
1 |
523 |
◊ |
[BCL]L:302 |
x,y,z |
1_555 |
12 |
1 |
1186 |
84.8 |
1.2 |
0.407 |
0 |
0 |
0 |
0.000 |
46 |
|
[D12]H:304 |
8 |
1 |
328 |
◊ |
H |
x,y,z |
1_555 |
15 |
3 |
14707 |
83.1 |
2.2 |
0.595 |
0 |
0 |
0 |
0.000 |
47 |
|
[D12]H:305 |
7 |
1 |
327 |
◊ |
[D12]H:302 |
x,y,z |
1_555 |
9 |
1 |
436 |
81.1 |
5.3 |
0.217 |
0 |
0 |
0 |
0.000 |
48 |
|
[PO4]M:408 |
5 |
1 |
189 |
f |
M |
x,y,z |
1_555 |
9 |
6 |
18632 |
77.4 |
-4.0 |
0.928 |
3 |
0 |
0 |
0.052 |
49 |
|
[LDA]M:407 |
5 |
1 |
518 |
◊ |
[LDA]H:301 |
x,y,z |
1_555 |
11 |
1 |
511 |
76.0 |
2.0 |
0.238 |
0 |
0 |
0 |
0.000 |
50 |
|
[LDA]M:407 |
8 |
1 |
518 |
◊ |
[U10]M:404 |
x,y,z |
1_555 |
9 |
1 |
1201 |
74.6 |
2.5 |
0.579 |
0 |
0 |
0 |
0.000 |
51 |
|
[D12]H:304 |
6 |
1 |
328 |
f |
[D12]H:303 |
x,y,z |
1_555 |
8 |
1 |
354 |
74.6 |
4.9 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[D12]L:305 |
6 |
1 |
327 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17667 |
68.8 |
1.9 |
0.842 |
0 |
0 |
0 |
0.000 |
53 |
|
[D12]L:305 |
6 |
1 |
327 |
◊ |
[D12]H:304 |
x,y,z |
1_555 |
5 |
1 |
328 |
67.1 |
4.4 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[LDA]M:407 |
8 |
1 |
518 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
18632 |
61.1 |
1.2 |
0.438 |
0 |
0 |
0 |
0.000 |
55 |
|
L |
5 |
1 |
17667 |
x |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
6 |
2 |
17667 |
58.2 |
1.4 |
0.912 |
2 |
4 |
0 |
0.000 |
56 |
|
[LDA]H:301 |
5 |
1 |
511 |
◊ |
[U10]M:404 |
x,y,z |
1_555 |
8 |
1 |
1201 |
52.8 |
0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
57 |
|
[LDA]M:406 |
5 |
1 |
523 |
f |
[D12]L:305 |
x,y,z |
1_555 |
7 |
1 |
327 |
51.6 |
2.7 |
0.588 |
0 |
0 |
0 |
0.000 |
58 |
|
[U10]M:404 |
7 |
1 |
1201 |
◊ |
[BCL]L:301 |
x,y,z |
1_555 |
4 |
1 |
1330 |
50.6 |
-0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
59 |
|
[FE]L:306 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18632 |
49.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.086 |
60 |
|
[CDL]M:409 |
5 |
1 |
1617 |
f |
[D12]H:302 |
x,y,z |
1_555 |
5 |
1 |
436 |
48.9 |
1.1 |
0.216 |
0 |
0 |
0 |
0.000 |
61 |
|
[LDA]M:407 |
5 |
1 |
518 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
17667 |
48.8 |
0.1 |
0.320 |
0 |
0 |
0 |
0.000 |
62 |
|
[LDA]M:407 |
5 |
1 |
518 |
f |
[BCL]L:302 |
x,y,z |
1_555 |
7 |
1 |
1186 |
47.0 |
-0.1 |
0.298 |
0 |
0 |
0 |
0.000 |
63 |
|
[D12]H:303 |
4 |
1 |
354 |
◊ |
[D12]H:302 |
x,y,z |
1_555 |
4 |
1 |
436 |
46.3 |
3.1 |
0.397 |
0 |
0 |
0 |
0.000 |
64 |
|
[FE]L:306 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17667 |
45.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[BCL]M:401 |
6 |
1 |
1195 |
◊ |
[BCL]L:301 |
x,y,z |
1_555 |
8 |
1 |
1330 |
45.2 |
-1.3 |
0.471 |
0 |
0 |
0 |
0.000 |
66 |
|
[D12]L:305 |
6 |
1 |
327 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
14707 |
42.3 |
1.3 |
0.724 |
0 |
0 |
0 |
0.000 |
67 |
|
[U10]L:304 |
3 |
1 |
1220 |
◊ |
M |
x,y,z |
1_555 |
6 |
5 |
18632 |
41.1 |
-1.1 |
0.528 |
0 |
0 |
0 |
0.000 |
68 |
|
[BCL]L:302 |
5 |
1 |
1186 |
◊ |
[BCL]M:402 |
x,y,z |
1_555 |
8 |
1 |
1371 |
39.9 |
-1.2 |
0.453 |
0 |
0 |
0 |
0.000 |
69 |
|
[U10]M:404 |
4 |
1 |
1201 |
◊ |
[BCL]L:302 |
x,y,z |
1_555 |
4 |
1 |
1186 |
35.6 |
0.5 |
0.719 |
0 |
0 |
0 |
0.000 |
70 |
|
[LDA]M:407 |
6 |
1 |
518 |
f |
[BCL]L:301 |
x,y,z |
1_555 |
3 |
1 |
1330 |
35.0 |
1.4 |
0.465 |
0 |
0 |
0 |
0.000 |
71 |
|
[D12]L:305 |
2 |
1 |
327 |
◊ |
[BCL]L:302 |
x,y,z |
1_555 |
7 |
1 |
1186 |
33.0 |
0.9 |
0.749 |
0 |
0 |
0 |
0.000 |
72 |
|
[LDA]H:301 |
4 |
1 |
511 |
◊ |
[D12]H:302 |
x,y,z |
1_555 |
3 |
1 |
436 |
31.6 |
1.7 |
0.265 |
0 |
0 |
0 |
0.000 |
73 |
|
[LDA]M:406 |
6 |
1 |
523 |
◊ |
[LDA]H:301 |
x,y,z |
1_555 |
3 |
1 |
511 |
31.6 |
0.5 |
0.209 |
0 |
0 |
0 |
0.000 |
74 |
|
[LDA]M:406 |
5 |
1 |
523 |
◊ |
[D12]H:303 |
x,y,z |
1_555 |
3 |
1 |
354 |
29.2 |
1.9 |
0.578 |
0 |
0 |
0 |
0.000 |
75 |
|
[LDA]M:407 |
5 |
1 |
518 |
◊ |
[D12]H:302 |
x,y,z |
1_555 |
1 |
1 |
436 |
26.7 |
1.8 |
0.518 |
0 |
0 |
0 |
0.000 |
76 |
|
[LDA]H:301 |
2 |
1 |
511 |
◊ |
[D12]H:303 |
x,y,z |
1_555 |
2 |
1 |
354 |
22.9 |
0.5 |
0.377 |
0 |
0 |
0 |
0.000 |
77 |
|
[LDA]H:301 |
3 |
1 |
511 |
◊ |
[D12]H:305 |
x,y,z |
1_555 |
2 |
1 |
327 |
20.8 |
1.4 |
0.652 |
0 |
0 |
0 |
0.000 |
78 |
|
[CDL]M:409 |
1 |
1 |
1617 |
◊ |
[D12]H:303 |
x,y,z |
1_555 |
2 |
1 |
354 |
20.3 |
1.3 |
0.972 |
0 |
0 |
0 |
0.000 |
79 |
|
[LDA]M:406 |
5 |
1 |
523 |
◊ |
[D12]H:304 |
x,y,z |
1_555 |
2 |
1 |
328 |
20.3 |
1.3 |
0.527 |
0 |
0 |
0 |
0.000 |
80 |
|
[LDA]M:406 |
2 |
1 |
523 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
17667 |
19.5 |
-0.3 |
0.355 |
0 |
0 |
0 |
0.000 |
81 |
|
[LDA]M:407 |
5 |
1 |
518 |
f |
[D12]H:305 |
x,y,z |
1_555 |
1 |
1 |
327 |
17.5 |
1.0 |
0.454 |
0 |
0 |
0 |
0.000 |
82 |
|
[LDA]H:301 |
1 |
1 |
511 |
◊ |
[BCL]L:302 |
x,y,z |
1_555 |
4 |
1 |
1186 |
17.2 |
0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
83 |
|
[LDA]M:406 |
3 |
1 |
523 |
f |
[U10]M:404 |
x,y,z |
1_555 |
1 |
1 |
1201 |
14.5 |
-0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
84 |
|
[D12]L:305 |
1 |
1 |
327 |
f |
M |
x,y,z |
1_555 |
3 |
2 |
18632 |
12.8 |
0.3 |
0.818 |
0 |
0 |
0 |
0.000 |
85 |
|
[U10]L:304 |
1 |
1 |
1220 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14707 |
11.7 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
86 |
|
[LDA]M:407 |
2 |
1 |
518 |
f |
[D12]H:303 |
x,y,z |
1_555 |
1 |
1 |
354 |
8.8 |
0.6 |
0.632 |
0 |
0 |
0 |
0.000 |
87 |
|
[BPH]M:403 |
1 |
1 |
1329 |
f |
[U10]L:304 |
x,y,z |
1_555 |
2 |
1 |
1220 |
5.5 |
-0.2 |
0.650 |
0 |
0 |
0 |
0.000 |
88 |
|
[U10]M:404 |
1 |
1 |
1201 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
14707 |
4.4 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
89 |
|
[LDA]M:407 |
1 |
1 |
518 |
f |
[D12]H:304 |
x,y,z |
1_555 |
1 |
1 |
328 |
2.8 |
0.1 |
0.516 |
0 |
0 |
0 |
0.000 |
90 |
|
[LDA]H:301 |
1 |
1 |
511 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
17667 |
1.8 |
-0.0 |
0.379 |
0 |
0 |
0 |
0.000 |
91 |
|
[U10]M:404 |
1 |
1 |
1201 |
f |
[FE]L:306 |
x,y,z |
1_555 |
1 |
1 |
137 |
1.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
92 |
|
[SPN]M:405 |
1 |
1 |
1160 |
f |
[BCL]M:402 |
x,y,z |
1_555 |
1 |
1 |
1371 |
1.0 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
93 |
|
[D12]H:303 |
1 |
1 |
354 |
f |
[BCL]L:302 |
x,y,z |
1_555 |
1 |
1 |
1186 |
0.9 |
0.1 |
0.877 |
0 |
0 |
0 |
0.000 |
|