==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-DEC-12 4IKO . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR S.YAMINI,S.KAUSHIK,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 2 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 0 1 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 . 1 0 1 0 1 0 0 1 0 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 0 0 0 1 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 1 A M 0 0 147 0, 0.0 2,-0.2 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 154.2 -19.1 24.0 -34.7 2 2 A S - 0 0 57 86,-0.2 178,-0.2 1,-0.1 176,-0.1 -0.552 360.0-116.5 -67.8 143.0 -17.3 25.7 -31.7 3 3 A N - 0 0 66 -2,-0.2 2,-0.6 174,-0.1 173,-0.2 -0.450 33.4-111.1 -67.9 152.8 -13.8 24.4 -30.8 4 4 A I + 0 0 2 171,-1.5 86,-0.2 1,-0.1 85,-0.1 -0.875 45.3 166.9 -84.3 126.3 -13.8 22.8 -27.3 5 5 A S + 0 0 38 84,-2.5 56,-3.1 -2,-0.6 2,-0.4 0.418 59.6 48.2-118.1 -6.6 -11.7 25.2 -25.2 6 6 A L E -ab 61 90A 0 83,-1.9 85,-2.3 54,-0.2 2,-0.5 -0.992 61.3-170.1-136.4 127.2 -12.5 23.9 -21.6 7 7 A I E -ab 62 91A 0 54,-2.4 56,-2.1 -2,-0.4 2,-0.3 -0.989 8.1-168.2-121.0 125.2 -12.3 20.3 -20.6 8 8 A V E -ab 63 92A 0 83,-3.2 85,-2.9 -2,-0.5 2,-0.4 -0.874 9.1-159.4-113.6 137.6 -13.7 19.3 -17.2 9 9 A G E - b 0 93A 0 54,-2.1 2,-0.2 -2,-0.3 85,-0.2 -0.987 15.3-145.3-116.4 134.8 -13.2 16.0 -15.4 10 10 A L + 0 0 0 83,-2.1 16,-1.4 -2,-0.4 15,-0.5 -0.615 42.5 105.8 -98.3 150.1 -15.7 15.1 -12.6 11 11 A G - 0 0 0 -2,-0.2 57,-0.3 14,-0.2 12,-0.2 -0.967 61.7 -75.9 167.4-176.3 -14.8 13.2 -9.5 12 12 A N - 0 0 13 -2,-0.3 8,-0.1 5,-0.2 2,-0.1 -0.857 42.3-112.4-112.0 148.6 -14.1 13.5 -5.8 13 13 A P + 0 0 20 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.391 68.2 49.5 -75.3 155.5 -11.0 15.0 -4.0 14 14 A G S >> S- 0 0 42 1,-0.1 3,-1.5 2,-0.1 4,-1.2 0.190 86.1 -85.7 99.5 152.4 -8.6 12.9 -2.0 15 15 A S T 34 S+ 0 0 104 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.802 119.2 63.7 -62.6 -33.0 -6.6 9.8 -2.1 16 16 A E T 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.696 112.4 34.8 -64.4 -26.3 -9.4 7.6 -0.9 17 17 A Y T X4 S+ 0 0 66 -3,-1.5 3,-1.9 -4,-0.1 6,-0.3 0.583 91.2 96.2-103.7 -6.7 -11.6 8.5 -4.0 18 18 A A T 3< S+ 0 0 44 -4,-1.2 -2,-0.1 1,-0.3 -3,-0.1 0.793 92.6 35.6 -56.3 -38.0 -8.7 8.7 -6.6 19 19 A Q T 3 S+ 0 0 108 -4,-0.5 134,-0.6 -3,-0.0 -1,-0.3 0.420 94.1 112.5 -98.0 6.6 -9.1 5.1 -7.9 20 20 A T B X S-G 152 0B 9 -3,-1.9 3,-2.0 132,-0.2 132,-0.3 -0.426 76.6-116.4 -84.3 160.7 -12.9 4.9 -7.6 21 21 A R G > S+ 0 0 23 130,-2.5 3,-1.6 127,-0.5 129,-0.2 0.772 111.0 67.3 -62.5 -32.4 -15.1 4.6 -10.6 22 22 A H G 3 S+ 0 0 16 127,-2.2 73,-0.4 1,-0.3 3,-0.3 0.647 94.2 62.3 -68.5 -9.3 -16.8 7.9 -9.9 23 23 A N G <> + 0 0 4 -3,-2.0 4,-2.2 -6,-0.3 3,-0.3 0.150 63.8 116.1 -98.3 17.3 -13.5 9.5 -10.7 24 24 A A H <> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.892 75.6 54.3 -55.9 -38.2 -13.4 8.3 -14.3 25 25 A G H > S+ 0 0 0 -15,-0.5 4,-2.3 -3,-0.3 -1,-0.3 0.907 105.7 52.0 -62.1 -45.3 -13.6 12.0 -15.4 26 26 A F H > S+ 0 0 10 -16,-1.4 4,-2.7 -3,-0.3 5,-0.3 0.915 106.5 54.8 -59.3 -42.8 -10.5 12.9 -13.3 27 27 A W H X S+ 0 0 23 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.942 109.0 47.4 -60.5 -44.4 -8.6 10.1 -14.9 28 28 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.952 116.1 41.7 -61.7 -47.3 -9.2 11.3 -18.4 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.861 113.9 51.7 -74.8 -38.7 -8.4 14.9 -17.7 30 30 A E H X S+ 0 0 100 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.929 113.2 45.8 -60.7 -40.5 -5.3 14.2 -15.5 31 31 A Q H X S+ 0 0 71 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.880 112.2 51.2 -71.7 -36.1 -3.9 11.9 -18.3 32 32 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 6,-0.2 0.919 108.5 52.5 -63.0 -44.1 -4.7 14.5 -20.9 33 33 A A H X>S+ 0 0 4 -4,-2.7 5,-3.4 1,-0.2 4,-0.6 0.933 112.5 43.0 -59.0 -47.1 -2.9 17.1 -18.9 34 34 A D H ><5S+ 0 0 137 -4,-2.3 3,-0.7 3,-0.2 -1,-0.2 0.878 107.3 61.0 -72.9 -29.0 0.3 15.1 -18.6 35 35 A K H 3<5S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.906 116.7 32.3 -60.3 -40.2 0.1 14.0 -22.2 36 36 A Y H 3<5S- 0 0 52 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.356 113.1-112.6-100.6 7.5 0.4 17.6 -23.3 37 37 A G T <<5 + 0 0 61 -3,-0.7 2,-0.5 -4,-0.6 -3,-0.2 0.843 61.4 153.9 67.7 32.5 2.5 18.9 -20.5 38 38 A I < - 0 0 11 -5,-3.4 2,-0.4 -6,-0.2 -1,-0.2 -0.838 38.8-136.8 -94.7 131.4 -0.2 21.1 -19.0 39 39 A T - 0 0 92 -2,-0.5 2,-0.6 13,-0.3 13,-0.4 -0.750 7.8-148.9 -94.3 130.3 0.3 21.6 -15.3 40 40 A L - 0 0 41 -2,-0.4 2,-0.3 11,-0.1 11,-0.2 -0.871 25.0-178.6 -93.0 123.8 -2.9 21.4 -13.1 41 41 A K E -C 50 0A 149 9,-3.3 9,-2.9 -2,-0.6 7,-0.1 -0.898 36.8 -86.0-120.9 159.1 -2.5 23.8 -10.1 42 42 A N E -C 49 0A 138 -2,-0.3 7,-0.3 7,-0.2 -1,-0.0 -0.281 39.9-176.8 -58.7 137.5 -4.7 24.5 -7.1 43 43 A D E > > +C 48 0A 29 5,-2.9 5,-1.6 1,-0.1 3,-1.4 -0.643 9.2 170.7-142.1 71.4 -7.2 27.2 -8.0 44 44 A P G > 5S+ 0 0 104 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.778 72.2 70.8 -59.2 -29.7 -9.1 28.0 -4.8 45 45 A K G 3 5S+ 0 0 139 1,-0.3 -2,-0.0 2,-0.1 34,-0.0 0.865 112.6 31.6 -52.6 -37.0 -10.9 31.0 -6.4 46 46 A F G < 5S- 0 0 7 -3,-1.4 -1,-0.3 2,-0.2 20,-0.2 0.116 111.3-116.7-110.2 19.2 -12.8 28.4 -8.4 47 47 A H T < 5S+ 0 0 98 -3,-1.5 19,-2.6 1,-0.2 2,-0.3 0.868 83.9 72.5 54.1 41.4 -12.9 25.6 -5.9 48 48 A G E S- D 0 58A 0 3,-2.8 3,-1.5 -2,-0.5 -2,-0.0 -0.971 76.1 -29.0-123.6 113.6 -3.2 21.1 -27.1 56 56 A E T 3 S- 0 0 66 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.845 128.6 -43.9 54.0 39.0 -2.7 20.4 -30.8 57 57 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 120,-0.0 -1,-0.3 0.557 118.9 99.3 86.1 8.7 -2.4 24.1 -31.6 58 58 A H E < S- D 0 55A 53 -3,-1.5 -3,-2.8 -5,-0.1 2,-0.6 -0.952 73.3-119.0-128.1 149.2 -5.2 25.4 -29.5 59 59 A D E + D 0 54A 80 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.768 41.5 178.1 -91.3 118.5 -5.3 27.1 -26.1 60 60 A V E - D 0 53A 0 -7,-2.7 -7,-1.9 -2,-0.6 2,-0.3 -0.958 22.5-143.3-128.4 136.7 -7.4 24.9 -23.8 61 61 A R E -aD 6 52A 51 -56,-3.1 -54,-2.4 -2,-0.4 2,-0.4 -0.811 13.7-157.0 -98.1 144.9 -8.3 25.1 -20.1 62 62 A L E -aD 7 51A 0 -11,-2.6 -11,-2.1 -2,-0.3 2,-0.4 -0.958 11.7-174.1-122.2 137.6 -8.5 22.0 -18.0 63 63 A L E -aD 8 50A 0 -56,-2.1 -54,-2.1 -2,-0.4 -13,-0.2 -0.990 19.7-177.5-139.1 133.7 -10.6 21.8 -14.8 64 64 A L E - D 0 49A 1 -15,-2.6 -15,-2.6 -2,-0.4 -54,-0.1 -0.971 30.1-135.7-121.7 112.8 -11.1 19.3 -12.0 65 65 A P E - D 0 48A 0 0, 0.0 -17,-0.3 0, 0.0 3,-0.2 -0.469 11.8-164.0 -64.1 146.8 -13.7 20.6 -9.4 66 66 A M + 0 0 58 -19,-2.6 -18,-0.2 -20,-0.2 -19,-0.1 -0.070 67.1 98.6-118.4 30.6 -12.5 20.0 -5.8 67 67 A T S S- 0 0 16 -20,-0.2 -1,-0.1 1,-0.2 -55,-0.1 0.511 99.5 -99.1 -89.1 -12.2 -16.1 20.6 -4.4 68 68 A Y > - 0 0 109 -57,-0.3 3,-1.9 -3,-0.2 -56,-0.2 0.199 46.7 -78.7 82.3 152.2 -16.9 16.9 -4.2 69 69 A M G > S+ 0 0 2 1,-0.3 3,-1.8 2,-0.2 51,-0.2 0.809 127.4 51.7 -51.6 -50.7 -19.0 15.4 -7.0 70 70 A N G 3 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.537 112.8 46.6 -72.0 -9.8 -22.5 16.6 -6.1 71 71 A R G X S+ 0 0 148 -3,-1.9 3,-1.8 1,-0.1 4,-0.3 0.057 72.6 123.5-112.6 19.6 -21.3 20.2 -5.8 72 72 A S T X> + 0 0 0 -3,-1.8 4,-2.5 1,-0.3 3,-1.6 0.748 64.3 66.2 -60.2 -30.0 -19.3 20.3 -9.0 73 73 A G H 3> S+ 0 0 4 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.783 85.8 71.3 -62.9 -24.8 -21.3 23.3 -10.4 74 74 A Q H <4 S+ 0 0 105 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.691 114.3 26.5 -67.6 -11.1 -19.8 25.5 -7.6 75 75 A S H <> S+ 0 0 0 -3,-1.6 4,-2.0 -4,-0.3 5,-0.3 0.760 123.0 47.9-107.2 -51.0 -16.6 25.2 -9.6 76 76 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.924 111.7 51.3 -60.3 -42.8 -17.6 24.6 -13.2 77 77 A V H X S+ 0 0 15 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.984 113.9 37.5 -66.7 -51.4 -20.2 27.4 -13.3 78 78 A P H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.876 117.3 54.1 -69.4 -30.1 -18.2 30.4 -11.9 79 79 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.960 111.2 42.8 -64.8 -50.7 -15.0 29.2 -13.8 80 80 A S H <>S+ 0 0 3 -4,-2.4 5,-3.0 -5,-0.3 4,-0.3 0.892 116.8 49.3 -66.6 -32.2 -16.8 29.1 -17.2 81 81 A K H ><5S+ 0 0 127 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.907 108.5 52.2 -70.1 -41.4 -18.5 32.4 -16.5 82 82 A F H 3<5S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.911 116.9 38.2 -61.9 -45.7 -15.4 34.2 -15.4 83 83 A Y T 3<5S- 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.409 109.9-124.7 -89.1 5.6 -13.5 33.2 -18.6 84 84 A Q T < 5 + 0 0 181 -3,-0.7 2,-0.5 -4,-0.3 -3,-0.2 0.906 50.4 162.5 57.5 47.0 -16.6 33.7 -20.7 85 85 A I < - 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e 0 134A 3 -73,-0.4 2,-0.5 -2,-0.3 40,-0.2 -0.444 35.6-153.8 -67.3 143.9 -18.4 8.1 -15.3 96 96 A E E > - e 0 135A 15 38,-2.6 40,-2.4 3,-0.1 3,-1.1 -0.956 11.7-168.3-127.5 108.6 -21.5 6.6 -17.0 97 97 A L T 3 S+ 0 0 38 -2,-0.5 -1,-0.1 1,-0.2 38,-0.0 0.807 84.6 65.6 -61.2 -33.4 -23.3 3.8 -15.1 98 98 A D T 3 S+ 0 0 111 39,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.236 96.9 61.3 -82.0 15.8 -25.4 3.0 -18.1 99 99 A M S < S- 0 0 29 -3,-1.1 38,-2.8 35,-0.1 37,-0.7 -0.987 84.4-116.4-140.1 147.5 -22.5 1.8 -20.2 100 100 A N > - 0 0 107 -2,-0.4 3,-2.1 36,-0.2 35,-0.2 -0.419 43.9 -79.8 -78.6 160.3 -20.1 -1.0 -19.6 101 101 A P T 3 S+ 0 0 19 0, 0.0 35,-0.2 0, 0.0 -1,-0.2 -0.287 121.8 32.1 -57.0 135.0 -16.3 -0.8 -19.0 102 102 A G T 3 S+ 0 0 0 33,-0.5 2,-0.4 1,-0.4 59,-0.1 0.323 96.0 106.9 92.9 -7.3 -14.6 -0.3 -22.3 103 103 A V < + 0 0 45 -3,-2.1 32,-2.5 32,-0.1 -1,-0.4 -0.868 43.6 173.1-100.6 140.7 -17.6 1.6 -23.8 104 104 A I E -F 134 0A 0 -2,-0.4 2,-0.4 86,-0.3 86,-0.2 -0.980 5.2-177.8-147.9 137.0 -17.1 5.4 -24.4 105 105 A R E -F 133 0A 95 28,-1.7 28,-2.9 -2,-0.3 2,-0.5 -0.994 22.8-140.7-137.8 144.8 -19.4 7.9 -26.1 106 106 A L E -F 132 0A 3 -2,-0.4 2,-0.3 78,-0.3 26,-0.2 -0.894 29.6-178.5 -98.3 131.8 -19.3 11.6 -26.9 107 107 A K E -F 131 0A 74 24,-2.3 24,-3.1 -2,-0.5 2,-0.5 -0.977 17.8-151.9-129.7 143.6 -22.8 13.2 -26.4 108 108 A T E -F 130 0A 58 -2,-0.3 22,-0.2 22,-0.2 20,-0.1 -0.984 62.2 -20.2-120.4 123.3 -24.0 16.8 -27.0 109 109 A G S S+ 0 0 7 20,-2.1 19,-0.1 -2,-0.5 2,-0.1 -0.137 74.7 114.2 83.6-168.7 -26.9 18.1 -24.9 110 110 A G - 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