## |
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 |
483 |
122 |
18982 |
◊ |
L |
x,y,z |
1_555 |
476 |
106 |
17578 |
4251.1 |
-64.6 |
0.923 |
50 |
14 |
0 |
0.393 |
2 |
|
M |
261 |
64 |
18982 |
◊ |
H |
x,y,z |
1_555 |
293 |
82 |
14612 |
2669.2 |
-19.8 |
0.910 |
40 |
14 |
0 |
0.379 |
3 |
|
L |
154 |
39 |
17578 |
◊ |
H |
x,y,z |
1_555 |
179 |
58 |
14612 |
1502.0 |
-16.0 |
0.816 |
17 |
4 |
0 |
0.395 |
4 |
|
[SPN]M:406 |
42 |
1 |
1154 |
f |
M |
x,y,z |
1_555 |
108 |
29 |
18982 |
735.3 |
-4.9 |
0.707 |
1 |
0 |
0 |
0.051 |
5 |
|
[BCL]M:401 |
60 |
1 |
1374 |
f |
M |
x,y,z |
1_555 |
77 |
29 |
18982 |
569.4 |
-10.4 |
0.465 |
0 |
0 |
0 |
0.100 |
6 |
|
[BCL]L:302 |
57 |
1 |
1336 |
f |
L |
x,y,z |
1_555 |
84 |
27 |
17578 |
544.6 |
-9.0 |
0.621 |
2 |
0 |
0 |
0.162 |
7 |
|
[BPH]L:303 |
50 |
1 |
1356 |
◊ |
L |
x,y,z |
1_555 |
83 |
27 |
17578 |
520.6 |
-6.4 |
0.745 |
1 |
0 |
0 |
0.030 |
8 |
|
[BPH]M:403 |
48 |
1 |
1365 |
◊ |
M |
x,y,z |
1_555 |
70 |
21 |
18982 |
503.6 |
-5.3 |
0.661 |
1 |
0 |
0 |
0.025 |
9 |
|
[U10]M:405 |
38 |
1 |
1171 |
◊ |
M |
x,y,z |
1_555 |
74 |
21 |
18982 |
454.9 |
-5.3 |
0.896 |
2 |
0 |
0 |
0.027 |
10 |
|
[NKP]M:414 |
27 |
1 |
798 |
f |
M |
x,y,z |
1_555 |
61 |
16 |
18982 |
406.5 |
-7.4 |
0.764 |
1 |
0 |
0 |
0.075 |
11 |
|
M |
42 |
16 |
18982 |
◊ |
H |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
36 |
14 |
14612 |
387.9 |
-4.4 |
0.631 |
2 |
0 |
0 |
0.000 |
12 |
|
[BCL]L:301 |
41 |
1 |
1223 |
f |
M |
x,y,z |
1_555 |
36 |
16 |
18982 |
387.3 |
-9.2 |
0.121 |
0 |
0 |
0 |
0.088 |
13 |
|
L |
38 |
11 |
17578 |
◊ |
L |
-x,-y,z |
2_555 |
38 |
11 |
17578 |
376.4 |
-7.6 |
0.482 |
0 |
0 |
0 |
0.000 |
14 |
|
[OLC]L:306 |
25 |
1 |
719 |
◊ |
L |
x,y,z |
1_555 |
53 |
17 |
17578 |
369.2 |
0.5 |
0.686 |
3 |
0 |
0 |
0.004 |
15 |
|
[BCL]M:402 |
41 |
1 |
1188 |
f |
L |
x,y,z |
1_555 |
41 |
13 |
17578 |
317.9 |
-8.4 |
0.304 |
0 |
0 |
0 |
0.137 |
16 |
|
M |
40 |
11 |
18982 |
◊ |
H |
-x,-y-1,z |
2_545 |
27 |
8 |
14612 |
279.1 |
-5.4 |
0.446 |
0 |
0 |
0 |
0.000 |
17 |
|
[BPH]M:403 |
34 |
1 |
1365 |
f |
L |
x,y,z |
1_555 |
30 |
9 |
17578 |
256.1 |
-7.5 |
0.305 |
0 |
0 |
0 |
0.123 |
18 |
|
[BCL]L:301 |
27 |
1 |
1223 |
◊ |
L |
x,y,z |
1_555 |
32 |
8 |
17578 |
253.5 |
-4.4 |
0.534 |
2 |
0 |
0 |
0.023 |
19 |
|
[U10]M:405 |
18 |
1 |
1171 |
f |
L |
x,y,z |
1_555 |
35 |
11 |
17578 |
247.0 |
-7.5 |
0.432 |
0 |
0 |
0 |
0.122 |
20 |
|
[NKP]M:415 |
26 |
1 |
791 |
f |
H |
x,y,z |
1_555 |
31 |
8 |
14612 |
241.1 |
-4.6 |
0.593 |
0 |
0 |
0 |
0.100 |
21 |
|
M |
25 |
7 |
18982 |
◊ |
L |
-y,-x,-z |
8_555 |
25 |
5 |
17578 |
240.4 |
-1.8 |
0.837 |
3 |
0 |
0 |
0.000 |
22 |
|
[BPH]L:303 |
24 |
1 |
1356 |
◊ |
[BCL]M:402 |
x,y,z |
1_555 |
32 |
1 |
1188 |
239.7 |
-2.1 |
0.604 |
0 |
0 |
0 |
0.009 |
23 |
|
[LDA]M:409 |
14 |
1 |
505 |
f |
M |
x,y,z |
1_555 |
32 |
10 |
18982 |
237.8 |
2.6 |
0.567 |
0 |
0 |
0 |
0.000 |
24 |
|
[BPH]L:303 |
34 |
1 |
1356 |
f |
M |
x,y,z |
1_555 |
31 |
10 |
18982 |
223.4 |
-7.1 |
0.212 |
0 |
0 |
0 |
0.068 |
25 |
|
[BPH]M:403 |
34 |
1 |
1365 |
◊ |
[BCL]M:401 |
x,y,z |
1_555 |
19 |
1 |
1374 |
220.8 |
0.3 |
0.782 |
0 |
0 |
0 |
0.000 |
26 |
|
[LDA]M:408 |
13 |
1 |
506 |
f |
M |
x,y,z |
1_555 |
34 |
7 |
18982 |
215.7 |
1.8 |
0.517 |
0 |
0 |
0 |
0.000 |
27 |
|
[BCL]M:402 |
28 |
1 |
1188 |
◊ |
M |
x,y,z |
1_555 |
31 |
9 |
18982 |
215.6 |
-2.6 |
0.568 |
0 |
0 |
0 |
0.012 |
28 |
|
H |
19 |
7 |
14612 |
x |
H |
-x+1/2,y-1/2,-z-1/2 |
5_544 |
26 |
10 |
14612 |
202.1 |
-2.0 |
0.299 |
1 |
0 |
0 |
0.000 |
29 |
|
[LDA]M:407 |
13 |
1 |
521 |
f |
M |
x,y,z |
1_555 |
28 |
9 |
18982 |
195.1 |
-1.8 |
0.188 |
0 |
0 |
0 |
0.017 |
30 |
|
[BCL]M:401 |
26 |
1 |
1374 |
f |
[BCL]L:301 |
x,y,z |
1_555 |
23 |
1 |
1223 |
182.6 |
-0.4 |
0.700 |
0 |
0 |
0 |
0.004 |
31 |
|
[BCL]L:302 |
24 |
1 |
1336 |
f |
[BCL]M:402 |
x,y,z |
1_555 |
25 |
1 |
1188 |
182.2 |
-0.4 |
0.690 |
0 |
0 |
0 |
0.006 |
32 |
|
[LDA]H:301 |
14 |
1 |
513 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
14612 |
180.4 |
1.4 |
0.348 |
1 |
0 |
0 |
0.000 |
33 |
|
L |
21 |
6 |
17578 |
◊ |
L |
-x,-y-1,z |
2_545 |
21 |
6 |
17578 |
175.9 |
-0.7 |
0.880 |
2 |
0 |
0 |
0.000 |
34 |
|
[BPH]L:303 |
37 |
1 |
1356 |
◊ |
[BCL]L:302 |
x,y,z |
1_555 |
21 |
1 |
1336 |
171.6 |
0.1 |
0.777 |
0 |
0 |
0 |
0.000 |
35 |
|
[SPN]M:406 |
22 |
1 |
1154 |
f |
[BCL]L:301 |
x,y,z |
1_555 |
22 |
1 |
1223 |
168.3 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.002 |
36 |
|
[BCL]M:401 |
29 |
1 |
1374 |
◊ |
[BCL]L:302 |
x,y,z |
1_555 |
32 |
1 |
1336 |
153.6 |
-3.5 |
0.567 |
0 |
0 |
0 |
0.016 |
37 |
|
[BPH]M:403 |
14 |
1 |
1365 |
◊ |
[BCL]L:301 |
x,y,z |
1_555 |
27 |
1 |
1223 |
150.7 |
-0.7 |
0.632 |
0 |
0 |
0 |
0.003 |
38 |
|
[LDA]H:301 |
15 |
1 |
513 |
◊ |
M |
x,y,z |
1_555 |
21 |
6 |
18982 |
150.7 |
2.0 |
0.398 |
1 |
0 |
0 |
0.000 |
39 |
|
L |
18 |
5 |
17578 |
◊ |
H |
-x,-y-1,z |
2_545 |
16 |
5 |
14612 |
133.0 |
-0.2 |
0.758 |
1 |
0 |
0 |
0.000 |
40 |
|
[BCL]M:401 |
21 |
1 |
1374 |
◊ |
L |
x,y,z |
1_555 |
21 |
7 |
17578 |
132.5 |
-1.7 |
0.675 |
0 |
0 |
0 |
0.007 |
41 |
|
[LDA]M:407 |
11 |
1 |
521 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
14612 |
130.8 |
-0.8 |
0.133 |
0 |
0 |
0 |
0.008 |
42 |
|
[BCL]L:302 |
22 |
1 |
1336 |
◊ |
M |
x,y,z |
1_555 |
19 |
7 |
18982 |
107.1 |
-2.4 |
0.549 |
0 |
0 |
0 |
0.011 |
43 |
|
[NKP]M:415 |
11 |
1 |
791 |
◊ |
M |
x,y,z |
1_555 |
10 |
3 |
18982 |
99.3 |
0.5 |
0.913 |
3 |
0 |
0 |
0.008 |
44 |
|
[PO4]M:413 |
5 |
1 |
189 |
f |
M |
x,y,z |
1_555 |
17 |
7 |
18982 |
97.6 |
-7.1 |
0.768 |
4 |
0 |
0 |
0.085 |
45 |
|
[U10]M:405 |
15 |
1 |
1171 |
◊ |
[BPH]L:303 |
x,y,z |
1_555 |
7 |
1 |
1356 |
97.5 |
-1.5 |
0.663 |
0 |
0 |
0 |
0.007 |
46 |
|
[BCL]M:402 |
11 |
1 |
1188 |
◊ |
[LDA]M:407 |
x,y,z |
1_555 |
10 |
1 |
521 |
88.7 |
1.5 |
0.416 |
0 |
0 |
0 |
0.000 |
47 |
|
[OLC]L:306 |
8 |
1 |
719 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
18982 |
81.9 |
-2.4 |
0.317 |
0 |
0 |
0 |
0.023 |
48 |
|
H |
9 |
3 |
14612 |
x |
H |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
8 |
4 |
14612 |
79.2 |
-1.8 |
0.313 |
0 |
0 |
0 |
0.000 |
49 |
|
[NKP]M:415 |
7 |
1 |
791 |
◊ |
[NKP]M:414 |
x,y,z |
1_555 |
9 |
1 |
798 |
65.3 |
0.2 |
0.910 |
1 |
0 |
0 |
0.002 |
50 |
|
M |
5 |
2 |
18982 |
◊ |
M |
y,x,-z |
7_555 |
5 |
2 |
18982 |
57.7 |
1.5 |
0.964 |
2 |
2 |
0 |
0.000 |
51 |
|
[U10]M:405 |
8 |
1 |
1171 |
f |
[LDA]H:301 |
x,y,z |
1_555 |
5 |
1 |
513 |
56.1 |
0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
52 |
|
[FE]M:404 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18982 |
49.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.080 |
53 |
|
L |
6 |
5 |
17578 |
◊ |
L |
y,x,-z |
7_555 |
6 |
5 |
17578 |
48.5 |
1.9 |
0.970 |
0 |
0 |
0 |
0.000 |
54 |
|
[BCL]L:302 |
8 |
1 |
1336 |
◊ |
[BCL]L:301 |
x,y,z |
1_555 |
6 |
1 |
1223 |
47.7 |
-1.4 |
0.466 |
0 |
0 |
0 |
0.006 |
55 |
|
[U10]M:405 |
7 |
1 |
1171 |
f |
[BCL]L:302 |
x,y,z |
1_555 |
4 |
1 |
1336 |
47.6 |
-0.5 |
0.686 |
0 |
0 |
0 |
0.008 |
56 |
|
[NKP]M:415 |
4 |
1 |
791 |
◊ |
L |
x,y,z |
1_555 |
9 |
2 |
17578 |
45.6 |
0.5 |
0.847 |
0 |
0 |
0 |
0.000 |
57 |
|
[FE]M:404 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17578 |
45.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.030 |
58 |
|
[BCL]M:401 |
8 |
1 |
1374 |
◊ |
[BCL]M:402 |
x,y,z |
1_555 |
6 |
1 |
1188 |
40.8 |
-1.3 |
0.475 |
0 |
0 |
0 |
0.006 |
59 |
|
[U10]M:405 |
4 |
1 |
1171 |
f |
[BCL]M:402 |
x,y,z |
1_555 |
3 |
1 |
1188 |
39.3 |
0.5 |
0.717 |
0 |
0 |
0 |
0.000 |
60 |
|
[NKP]M:414 |
6 |
1 |
798 |
◊ |
L |
-x,-y-1,z |
2_545 |
2 |
1 |
17578 |
38.1 |
0.9 |
0.946 |
1 |
0 |
0 |
0.000 |
61 |
|
[LDA]M:407 |
6 |
1 |
521 |
◊ |
[LDA]H:301 |
x,y,z |
1_555 |
2 |
1 |
513 |
37.1 |
0.2 |
0.150 |
0 |
0 |
0 |
0.000 |
62 |
|
[NKP]M:415 |
4 |
1 |
791 |
◊ |
L |
-x,-y-1,z |
2_545 |
4 |
1 |
17578 |
36.9 |
0.6 |
0.899 |
1 |
0 |
0 |
0.000 |
63 |
|
H |
3 |
1 |
14612 |
◊ |
H |
-x,-y-1,z |
2_545 |
2 |
1 |
14612 |
35.0 |
-1.1 |
0.168 |
0 |
0 |
0 |
0.000 |
64 |
|
[LDA]M:407 |
2 |
1 |
521 |
◊ |
L |
x,y,z |
1_555 |
4 |
2 |
17578 |
29.3 |
-0.8 |
0.256 |
0 |
0 |
0 |
0.003 |
65 |
|
M |
4 |
3 |
18982 |
◊ |
L |
-x,-y-1,z |
2_545 |
2 |
1 |
17578 |
28.8 |
0.9 |
0.680 |
0 |
0 |
0 |
0.000 |
66 |
|
[NKP]M:414 |
2 |
1 |
798 |
◊ |
[NKP]M:414 |
-x,-y-1,z |
2_545 |
2 |
1 |
798 |
28.4 |
-0.5 |
0.595 |
0 |
0 |
0 |
0.000 |
67 |
|
H |
4 |
2 |
14612 |
◊ |
L |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
3 |
2 |
17578 |
27.6 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.000 |
68 |
|
[NKP]M:415 |
4 |
1 |
791 |
◊ |
M |
-x,-y-1,z |
2_545 |
3 |
3 |
18982 |
22.4 |
0.1 |
0.849 |
0 |
0 |
0 |
0.000 |
69 |
|
[LDA]H:301 |
2 |
1 |
513 |
f |
L |
x,y,z |
1_555 |
4 |
2 |
17578 |
22.4 |
-0.6 |
0.264 |
0 |
0 |
0 |
0.010 |
70 |
|
[NKP]M:414 |
2 |
1 |
798 |
◊ |
L |
x,y,z |
1_555 |
5 |
4 |
17578 |
22.3 |
0.1 |
0.800 |
0 |
0 |
0 |
0.000 |
71 |
|
[U10]M:405 |
1 |
1 |
1171 |
◊ |
[LDA]M:407 |
x,y,z |
1_555 |
3 |
1 |
521 |
18.7 |
-0.3 |
0.275 |
0 |
0 |
0 |
0.001 |
72 |
|
[PO4]M:413 |
1 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14612 |
17.7 |
-0.5 |
0.856 |
1 |
0 |
0 |
0.009 |
73 |
|
[BCL]M:402 |
4 |
1 |
1188 |
f |
[LDA]H:301 |
x,y,z |
1_555 |
2 |
1 |
513 |
16.6 |
0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
74 |
|
[SPN]M:406 |
4 |
1 |
1154 |
f |
[LDA]M:409 |
x,y,z |
1_555 |
2 |
1 |
505 |
16.3 |
0.3 |
0.458 |
0 |
0 |
0 |
0.000 |
75 |
|
[OLC]L:306 |
3 |
1 |
719 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14612 |
10.2 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
76 |
|
[LDA]M:408 |
1 |
1 |
506 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14612 |
10.0 |
-0.0 |
0.264 |
0 |
0 |
0 |
0.000 |
77 |
|
[PO4]M:413 |
1 |
1 |
189 |
f |
[LDA]M:408 |
x,y,z |
1_555 |
1 |
1 |
506 |
4.4 |
-0.3 |
0.462 |
0 |
0 |
0 |
0.003 |
78 |
|
[BPH]M:403 |
1 |
1 |
1365 |
◊ |
[OLC]L:306 |
x,y,z |
1_555 |
1 |
1 |
719 |
3.6 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
79 |
|
[NKP]M:415 |
1 |
1 |
791 |
◊ |
[NKP]M:414 |
-x,-y-1,z |
2_545 |
1 |
1 |
798 |
2.4 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
80 |
|
[U10]M:405 |
1 |
1 |
1171 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14612 |
2.4 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
81 |
|
[SPN]M:406 |
1 |
1 |
1154 |
◊ |
[BPH]M:403 |
x,y,z |
1_555 |
1 |
1 |
1365 |
2.2 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
82 |
|
[SPN]M:406 |
1 |
1 |
1154 |
f |
[BCL]M:401 |
x,y,z |
1_555 |
1 |
1 |
1374 |
1.5 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
83 |
|
M |
1 |
1 |
18982 |
◊ |
M |
-x,-y-1,z |
2_545 |
1 |
1 |
18982 |
0.6 |
-0.0 |
0.659 |
0 |
0 |
0 |
0.000 |
84 |
|
[U10]M:405 |
1 |
1 |
1171 |
◊ |
[FE]M:404 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|