==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-07 2PCJ . COMPND 2 MOLECULE: LIPOPROTEIN-RELEASING SYSTEM ATP-BINDING PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.JEYAKANTHAN,S.P.KANAUJIA,C.VASUKI RANJANI,K.SEKAR,N.NAKAGA . 446 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 2 0 0 4 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A 0 0 103 0, 0.0 27,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 109.2 25.9 7.4 22.6 2 3 A E E +A 27 0A 64 25,-0.2 25,-0.3 1,-0.1 3,-0.1 -0.533 360.0 178.9 -72.4 134.0 23.7 8.1 25.6 3 4 A I E + 0 0 10 23,-3.0 60,-2.4 1,-0.3 2,-0.3 0.697 67.4 19.1-107.0 -29.4 20.0 7.6 24.9 4 5 A L E +AB 26 62A 3 22,-1.7 22,-2.9 58,-0.2 2,-0.4 -0.996 59.1 179.6-146.8 137.3 18.5 8.4 28.3 5 6 A R E -AB 25 61A 67 56,-2.3 56,-3.1 -2,-0.3 2,-0.4 -0.996 6.3-168.1-140.4 132.6 19.8 10.1 31.4 6 7 A A E -AB 24 60A 1 18,-2.8 18,-2.1 -2,-0.4 2,-0.5 -0.976 9.8-162.1-119.7 133.0 18.0 10.7 34.8 7 8 A E E - B 0 59A 58 52,-2.9 52,-1.9 -2,-0.4 16,-0.2 -0.970 62.8 -25.9-123.8 124.8 19.5 13.1 37.3 8 9 A N E S- 0 0 102 -2,-0.5 2,-0.3 50,-0.2 15,-0.2 0.816 76.9-170.9 47.7 44.8 18.7 13.3 41.0 9 10 A I E +A 22 0A 0 13,-2.8 13,-1.7 50,-0.1 12,-1.5 -0.487 10.9 170.7 -71.4 124.2 15.2 11.9 40.6 10 11 A K E -AB 20 57A 47 47,-2.1 46,-2.3 -2,-0.3 47,-1.7 -0.957 13.0-167.7-130.1 149.2 13.0 12.0 43.7 11 12 A K E -A 19 0A 43 8,-1.9 7,-2.1 -2,-0.3 8,-1.5 -0.965 3.8-171.2-142.2 121.8 9.3 11.2 44.0 12 13 A V E -A 17 0A 56 -2,-0.4 2,-0.5 5,-0.3 5,-0.2 -0.960 3.3-176.7-119.5 129.2 7.2 12.1 47.0 13 14 A I E > S-A 16 0A 57 3,-2.7 3,-2.1 -2,-0.5 -2,-0.0 -0.981 74.4 -19.1-127.9 119.4 3.7 10.9 47.6 14 15 A R T 3 S- 0 0 137 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.867 128.4 -51.4 53.6 41.1 1.7 12.1 50.6 15 16 A G T 3 S+ 0 0 72 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.280 114.9 116.8 83.4 -11.6 4.9 13.0 52.4 16 17 A Y E < -A 13 0A 47 -3,-2.1 -3,-2.7 301,-0.0 2,-1.0 -0.798 64.7-134.0 -95.1 126.7 6.5 9.6 51.8 17 18 A E E +A 12 0A 66 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.677 27.2 174.5 -83.2 102.7 9.6 9.6 49.6 18 19 A I E S+ 0 0 19 -7,-2.1 2,-0.4 -2,-1.0 -1,-0.2 0.883 77.5 29.2 -72.1 -44.2 9.1 6.8 47.1 19 20 A L E S-A 11 0A 0 -8,-1.5 -8,-1.9 25,-0.1 -1,-0.3 -0.988 72.0-165.6-119.5 129.2 12.3 7.6 45.2 20 21 A K E -A 10 0A 54 194,-2.5 -10,-0.2 -2,-0.4 195,-0.1 0.133 66.2 -42.2-106.2 20.4 15.1 9.2 47.2 21 22 A G E - 0 0 31 -12,-1.5 2,-0.4 193,-0.2 195,-0.2 0.578 67.5-177.6 118.0 84.7 17.5 10.5 44.6 22 23 A I E +A 9 0A 4 -13,-1.7 -13,-2.8 193,-0.1 2,-0.4 -0.935 6.5 179.5-118.7 134.7 18.3 8.4 41.6 23 24 A S E + 0 0 71 -2,-0.4 2,-0.3 -15,-0.2 -16,-0.2 -0.985 16.6 145.2-130.3 140.2 20.7 9.1 38.8 24 25 A L E -A 6 0A 23 -18,-2.1 -18,-2.8 -2,-0.4 2,-0.3 -0.983 29.1-146.4-166.2 163.8 21.4 6.8 35.8 25 26 A S E -A 5 0A 47 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.2 -0.998 6.6-155.1-142.0 140.9 22.3 6.7 32.1 26 27 A V E -A 4 0A 3 -22,-2.9 -23,-3.0 -2,-0.3 -22,-1.7 -0.975 14.8-143.4-119.5 128.2 21.3 4.2 29.4 27 28 A K E > -A 2 0A 110 -2,-0.5 3,-2.1 -25,-0.3 -25,-0.2 -0.566 36.3 -83.5 -89.1 154.3 23.5 3.8 26.3 28 29 A K T 3 S+ 0 0 153 -27,-3.0 -1,-0.1 1,-0.3 162,-0.1 -0.294 115.1 16.2 -56.2 131.2 22.1 3.2 22.9 29 30 A G T 3 S+ 0 0 23 130,-0.3 -1,-0.3 160,-0.3 2,-0.2 0.397 90.7 138.0 87.2 -3.8 21.4 -0.5 22.3 30 31 A E < - 0 0 42 -3,-2.1 162,-2.5 159,-0.1 2,-0.7 -0.499 45.2-149.5 -79.7 145.7 21.5 -1.5 26.0 31 32 A F E -d 192 0B 0 160,-0.2 175,-1.8 -2,-0.2 176,-1.5 -0.943 26.3-174.8-112.7 102.9 19.0 -4.0 27.5 32 33 A V E -de 193 207B 3 160,-3.5 162,-3.0 -2,-0.7 2,-0.4 -0.810 11.2-163.8-104.8 141.8 18.6 -2.9 31.1 33 34 A S E -de 194 208B 0 174,-2.7 176,-3.0 -2,-0.4 2,-0.5 -0.936 4.2-158.0-122.1 146.2 16.6 -4.6 33.8 34 35 A I E +de 195 209B 2 160,-2.5 162,-2.1 -2,-0.4 2,-0.3 -0.988 17.3 179.7-125.5 119.4 15.6 -3.1 37.2 35 36 A I E + e 0 210B 8 174,-2.6 176,-2.7 -2,-0.5 2,-0.2 -0.781 12.4 135.3-118.1 164.4 14.7 -5.5 40.0 36 37 A G E - e 0 211B 13 160,-0.4 176,-0.1 -2,-0.3 3,-0.1 -0.840 42.5-105.2 166.7 157.2 13.6 -5.0 43.6 37 38 A A > - 0 0 77 174,-0.5 3,-2.0 -2,-0.2 5,-0.3 -0.134 67.0 -47.6 -87.2-172.3 11.2 -6.3 46.2 38 39 A S T 3 S+ 0 0 40 1,-0.3 -1,-0.2 2,-0.1 175,-0.2 -0.322 130.3 24.9 -59.1 137.3 8.1 -4.5 47.5 39 40 A G T 3 S+ 0 0 22 -3,-0.1 175,-0.4 173,-0.1 -1,-0.3 0.410 85.6 116.2 88.1 -2.4 8.8 -0.9 48.4 40 41 A S S < S- 0 0 4 -3,-2.0 174,-1.1 173,-0.2 172,-0.2 0.851 71.0-138.6 -66.9 -34.8 11.8 -0.7 46.0 41 42 A G > + 0 0 12 -4,-0.3 4,-2.3 172,-0.1 5,-0.2 0.564 55.1 141.0 85.8 11.1 10.0 1.9 43.8 42 43 A K H > S+ 0 0 33 -5,-0.3 4,-2.1 1,-0.2 5,-0.1 0.875 71.0 44.6 -54.4 -44.0 11.2 0.2 40.6 43 44 A S H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 109.8 55.3 -70.9 -36.3 7.9 0.8 38.8 44 45 A T H > S+ 0 0 34 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.903 109.4 48.8 -60.9 -39.2 7.6 4.4 39.9 45 46 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 3,-0.5 0.944 107.9 53.6 -64.8 -46.7 11.0 5.0 38.5 46 47 A L H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.888 106.6 52.4 -56.0 -41.4 10.1 3.3 35.2 47 48 A Y H <>S+ 0 0 70 -4,-2.3 5,-2.8 1,-0.2 6,-1.4 0.833 112.2 45.9 -65.6 -32.0 7.1 5.7 34.9 48 49 A I H ><5S+ 0 0 0 -4,-1.3 3,-1.5 -3,-0.5 -2,-0.2 0.906 112.1 49.2 -76.8 -42.3 9.3 8.7 35.4 49 50 A L H 3<5S+ 0 0 3 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.839 111.4 52.4 -64.0 -30.9 12.0 7.5 33.0 50 51 A G T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.326 114.0-117.9 -87.6 6.7 9.3 6.9 30.4 51 52 A L T < 5S+ 0 0 4 -3,-1.5 -3,-0.2 2,-0.2 28,-0.1 0.777 82.5 118.3 63.3 29.7 7.8 10.4 30.8 52 53 A L S S-BC 4 65A 12 3,-2.7 3,-1.9 -2,-0.4 -58,-0.2 -0.958 81.4 -16.2-113.0 117.4 16.3 12.0 26.1 63 64 A E T 3 S- 0 0 91 -60,-2.4 -1,-0.2 -2,-0.6 -60,-0.1 0.898 130.9 -52.8 55.6 41.9 19.0 11.8 23.5 64 65 A G T 3 S+ 0 0 48 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.285 115.6 114.3 80.3 -10.3 20.9 14.5 25.3 65 66 A K E < -C 62 0A 164 -3,-1.9 -3,-2.7 1,-0.0 -1,-0.2 -0.822 68.9-120.0-100.5 130.9 17.9 16.9 25.4 66 67 A E E -C 61 0A 109 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.2 -0.416 30.4-116.9 -67.1 134.2 16.3 17.9 28.7 67 68 A V - 0 0 6 -7,-2.9 2,-0.8 -2,-0.1 -7,-0.2 -0.536 20.4-140.4 -73.7 134.5 12.6 17.0 28.9 68 69 A D - 0 0 87 -2,-0.2 3,-0.4 1,-0.1 7,-0.1 -0.855 16.9-174.9 -99.6 105.8 10.3 20.1 29.2 69 70 A Y S S+ 0 0 57 -2,-0.8 3,-0.2 1,-0.2 -1,-0.1 0.561 73.2 74.3 -77.7 -7.8 7.5 19.2 31.7 70 71 A T S S+ 0 0 117 1,-0.2 2,-1.4 2,-0.1 -1,-0.2 0.932 90.8 55.9 -69.7 -45.4 5.7 22.5 31.1 71 72 A N > + 0 0 86 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 -0.670 65.9 170.5 -91.5 84.9 4.4 21.5 27.7 72 73 A E H > S+ 0 0 139 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.785 74.5 52.6 -66.5 -32.6 2.5 18.3 28.5 73 74 A K H > S+ 0 0 176 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 111.2 47.3 -71.2 -39.5 0.8 17.9 25.2 74 75 A E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.862 110.3 54.0 -66.9 -34.3 4.2 18.2 23.4 75 76 A L H X S+ 0 0 14 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.896 105.3 52.7 -66.3 -39.5 5.6 15.7 25.8 76 77 A S H X S+ 0 0 51 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.896 111.0 47.3 -62.2 -39.7 2.8 13.2 25.0 77 78 A L H X S+ 0 0 75 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.866 110.3 51.9 -69.4 -36.4 3.7 13.6 21.3 78 79 A L H X S+ 0 0 63 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.925 110.8 48.8 -64.5 -44.2 7.4 13.2 22.1 79 80 A R H X S+ 0 0 38 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.939 110.5 50.5 -57.3 -50.6 6.6 10.0 24.1 80 81 A N H < S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.5 42.8 -59.2 -34.0 4.5 8.7 21.2 81 82 A R H < S+ 0 0 113 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.882 127.9 22.8 -82.0 -41.3 7.3 9.3 18.7 82 83 A K H < S+ 0 0 48 -4,-2.6 77,-2.0 -5,-0.2 78,-1.4 0.668 112.8 60.1-103.4 -20.1 10.3 8.1 20.5 83 84 A L E < -f 160 0B 12 -4,-2.7 2,-0.3 -5,-0.4 78,-0.2 -0.869 52.9-162.0-120.9 149.5 9.2 5.6 23.2 84 85 A G E -f 161 0B 4 76,-1.9 78,-3.2 -2,-0.3 2,-0.4 -0.928 11.1-154.6-123.0 148.7 7.3 2.3 23.3 85 86 A F E +f 162 0B 33 -2,-0.3 2,-0.4 76,-0.2 78,-0.2 -0.981 16.1 178.8-131.3 135.3 5.6 0.7 26.3 86 87 A V E -f 163 0B 1 76,-2.5 78,-2.0 -2,-0.4 4,-0.1 -0.904 17.6-177.7-132.8 102.1 4.7 -2.8 27.2 87 88 A F - 0 0 40 2,-0.4 78,-0.1 -2,-0.4 62,-0.1 -0.284 44.4 -99.1 -89.4 178.8 3.0 -3.1 30.6 88 89 A Q S S+ 0 0 71 76,-0.2 81,-0.4 -2,-0.1 2,-0.3 0.938 113.7 56.7 -65.0 -45.3 1.9 -6.3 32.4 89 90 A F S S- 0 0 16 1,-0.1 -2,-0.4 79,-0.1 174,-0.1 -0.633 89.1-130.2 -84.8 146.5 -1.7 -5.7 31.1 90 91 A H - 0 0 19 -2,-0.3 -1,-0.1 -4,-0.1 -3,-0.1 0.756 20.3-155.5 -69.3 -28.4 -2.1 -5.4 27.3 91 92 A Y + 0 0 71 1,-0.2 2,-0.2 -5,-0.1 -1,-0.1 0.845 30.6 164.1 52.2 39.4 -4.1 -2.2 27.4 92 93 A L - 0 0 2 1,-0.1 -1,-0.2 2,-0.0 6,-0.1 -0.598 45.1-112.8 -84.5 147.7 -5.7 -3.0 24.0 93 94 A I > - 0 0 54 -2,-0.2 3,-1.2 4,-0.1 8,-0.1 -0.744 22.8-145.7 -82.6 118.8 -8.8 -1.1 23.0 94 95 A P T 3 S+ 0 0 57 0, 0.0 44,-0.3 0, 0.0 -1,-0.1 0.780 94.3 54.1 -54.7 -33.8 -11.7 -3.6 22.9 95 96 A E T 3 S+ 0 0 127 41,-0.1 2,-0.3 42,-0.1 -2,-0.0 0.686 98.6 78.4 -77.3 -19.0 -13.5 -2.1 20.0 96 97 A L S < S- 0 0 47 -3,-1.2 38,-0.0 1,-0.1 -4,-0.0 -0.664 78.8-120.7 -97.6 148.7 -10.5 -2.1 17.7 97 98 A T > - 0 0 23 -2,-0.3 4,-2.5 39,-0.2 39,-0.2 -0.217 38.9 -97.8 -72.8 170.9 -8.9 -5.0 15.7 98 99 A A H > S+ 0 0 2 37,-2.0 4,-1.9 34,-0.4 36,-0.2 0.933 127.5 46.3 -56.5 -46.8 -5.3 -6.0 16.3 99 100 A L H > S+ 0 0 28 34,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.926 111.4 50.2 -63.4 -45.2 -4.2 -4.0 13.3 100 101 A E H > S+ 0 0 74 33,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.868 109.7 52.3 -62.4 -35.3 -6.3 -0.9 14.4 101 102 A N H < S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.890 108.2 51.4 -66.7 -39.4 -4.8 -1.1 17.9 102 103 A V H < S+ 0 0 0 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.831 107.2 52.0 -68.6 -33.2 -1.2 -1.2 16.5 103 104 A I H >X S+ 0 0 5 -4,-1.7 4,-2.5 1,-0.2 3,-0.9 0.638 81.0 94.2 -81.6 -11.8 -1.7 1.9 14.3 104 105 A V H 3X S+ 0 0 33 -4,-0.7 4,-1.8 -3,-0.5 -1,-0.2 0.891 87.4 45.9 -45.8 -52.2 -3.0 4.2 17.0 105 106 A P H 3> S+ 0 0 14 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.813 111.7 54.1 -64.5 -26.6 0.4 5.6 17.8 106 107 A M H X4>S+ 0 0 5 -3,-0.9 5,-2.0 -4,-0.3 3,-1.0 0.917 107.0 49.2 -71.2 -43.6 1.1 6.1 14.1 107 108 A L H ><5S+ 0 0 60 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.850 103.2 61.3 -64.4 -33.1 -2.1 8.1 13.6 108 109 A K H 3<5S+ 0 0 124 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.745 101.9 53.7 -64.5 -22.1 -1.1 10.3 16.6 109 110 A M T <<5S- 0 0 44 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.416 124.0-108.1 -90.4 -0.7 1.9 11.2 14.5 110 111 A G T < 5 + 0 0 62 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.672 62.5 160.7 82.6 17.7 -0.3 12.2 11.6 111 112 A K < - 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