==== 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 28-JUL-13 4LWR . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR S.KAUSHIK,N.SINGH,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.7 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 . 17 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 1 1 0 0 1 0 1 0 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 . 0 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 -2 A G 0 0 90 0, 0.0 87,-0.2 0, 0.0 86,-0.2 0.000 360.0 360.0 360.0-145.5 9.1 21.7 -0.0 2 -1 A S - 0 0 30 85,-2.0 2,-0.4 84,-0.0 5,-0.1 -0.295 360.0-135.9 -76.4 168.4 8.2 18.1 0.2 3 0 A H > - 0 0 117 3,-0.4 3,-1.6 1,-0.1 85,-0.0 -0.940 48.8 -61.7-137.2 108.4 7.7 15.9 -2.9 4 1 A M T 3 S- 0 0 141 -2,-0.4 85,-0.1 1,-0.2 -1,-0.1 -0.200 104.1 -31.1 56.5-139.9 4.8 13.5 -3.2 5 2 A S T 3 S+ 0 0 51 176,-0.1 2,-0.6 2,-0.1 -1,-0.2 0.061 95.5 126.0-102.9 22.1 4.8 10.6 -0.7 6 3 A N S < S- 0 0 43 -3,-1.6 -3,-0.4 174,-0.1 2,-0.4 -0.732 70.6-120.3 -68.1 120.1 8.6 10.5 -0.3 7 4 A I + 0 0 2 171,-2.2 86,-0.2 -2,-0.6 3,-0.1 -0.530 48.2 159.0 -67.8 124.2 8.8 10.9 3.4 8 5 A S + 0 0 22 84,-2.5 56,-2.7 -2,-0.4 2,-0.4 0.386 59.3 53.8-129.4 2.5 10.9 14.0 4.2 9 6 A L E -ab 64 93A 0 83,-1.7 85,-2.6 54,-0.2 2,-0.5 -0.978 59.7-173.7-133.2 125.3 9.9 14.8 7.8 10 7 A I E -ab 65 94A 0 54,-2.5 56,-2.1 -2,-0.4 2,-0.4 -0.984 8.8-169.2-118.8 118.9 10.1 12.2 10.5 11 8 A V E -ab 66 95A 0 83,-3.0 85,-3.1 -2,-0.5 2,-0.5 -0.874 8.3-159.2-108.0 137.4 8.7 13.3 13.9 12 9 A G E - b 0 96A 0 54,-2.4 2,-0.3 -2,-0.4 85,-0.2 -0.984 14.3-144.4-114.8 128.4 9.2 11.5 17.2 13 10 A L + 0 0 0 83,-2.2 16,-1.2 -2,-0.5 15,-0.6 -0.628 41.9 106.9 -92.0 149.4 6.7 12.2 19.9 14 11 A G - 0 0 0 -2,-0.3 57,-0.3 14,-0.2 12,-0.2 -0.971 60.6 -80.5 170.8-177.7 7.6 12.3 23.6 15 12 A N - 0 0 12 -2,-0.3 8,-0.1 5,-0.2 5,-0.1 -0.882 41.2-116.4-111.2 147.7 8.2 14.5 26.7 16 13 A P + 0 0 22 0, 0.0 3,-0.1 0, 0.0 56,-0.1 -0.401 67.5 57.5 -77.9 158.4 11.3 16.4 27.5 17 14 A G S >> S- 0 0 41 1,-0.1 3,-1.7 2,-0.1 4,-1.1 0.186 85.2 -92.0 102.2 146.5 13.6 15.8 30.5 18 15 A S T 34 S+ 0 0 106 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.789 119.4 65.7 -60.0 -29.3 15.5 12.9 31.9 19 16 A E T 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.674 112.1 32.8 -69.3 -17.4 12.5 11.9 34.1 20 17 A Y T X4 S+ 0 0 64 -3,-1.7 3,-1.9 -5,-0.1 -1,-0.2 0.538 91.6 94.5-109.4 -11.0 10.5 11.0 30.9 21 18 A A T 3< S+ 0 0 44 -4,-1.1 -2,-0.1 1,-0.3 -3,-0.1 0.791 92.4 38.6 -57.5 -35.3 13.3 9.8 28.6 22 19 A Q T 3 S+ 0 0 110 -4,-0.5 134,-0.5 131,-0.1 -1,-0.3 0.324 93.2 111.5 -97.8 6.1 12.8 6.1 29.6 23 20 A T S X S- 0 0 9 -3,-1.9 3,-2.1 132,-0.2 132,-0.2 -0.466 78.1-115.8 -85.5 155.0 9.0 6.1 29.8 24 21 A R G > S+ 0 0 23 130,-2.4 3,-1.8 127,-0.4 129,-0.2 0.808 111.7 66.6 -56.8 -34.7 6.8 4.3 27.3 25 22 A H G 3 S+ 0 0 22 127,-2.6 3,-0.3 1,-0.3 73,-0.3 0.583 93.8 62.5 -66.2 -11.6 5.3 7.6 26.0 26 23 A N G X> + 0 0 3 -3,-2.1 4,-2.1 126,-0.2 3,-0.5 0.218 64.2 114.9 -96.9 14.7 8.7 8.4 24.6 27 24 A A H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.865 75.7 54.4 -52.7 -39.5 8.8 5.5 22.2 28 25 A G H 3> S+ 0 0 0 -15,-0.6 4,-2.4 -3,-0.3 -1,-0.3 0.891 105.9 51.2 -62.8 -41.1 8.8 8.0 19.3 29 26 A F H <> S+ 0 0 7 -16,-1.2 4,-3.0 -3,-0.5 5,-0.3 0.912 107.3 54.6 -58.6 -44.5 11.8 9.8 20.6 30 27 A W H X S+ 0 0 26 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.941 110.4 46.0 -56.8 -47.8 13.6 6.4 20.9 31 28 A F H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.942 115.7 43.8 -60.7 -51.0 13.0 5.7 17.3 32 29 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.893 112.9 51.3 -68.6 -37.3 14.0 9.1 15.9 33 30 A E H X S+ 0 0 96 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.916 112.9 46.5 -63.6 -40.5 17.1 9.3 18.1 34 31 A Q H X S+ 0 0 75 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.895 112.3 50.4 -68.3 -37.6 18.2 5.9 16.9 35 32 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.916 108.5 52.4 -64.3 -43.3 17.5 6.9 13.3 36 33 A A H X>S+ 0 0 5 -4,-2.6 5,-2.3 1,-0.2 4,-1.0 0.905 111.0 47.2 -59.7 -42.3 19.4 10.1 13.7 37 34 A D H <5S+ 0 0 138 -4,-2.0 3,-0.4 3,-0.2 -1,-0.2 0.904 108.8 54.7 -67.6 -39.7 22.4 8.1 15.0 38 35 A K H <5S+ 0 0 116 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 120.2 30.9 -57.1 -44.4 22.2 5.5 12.2 39 36 A Y H <5S- 0 0 50 -4,-2.1 -1,-0.2 -5,-0.1 18,-0.2 0.387 109.3-114.6-101.9 3.0 22.3 8.2 9.4 40 37 A G T <5 + 0 0 65 -4,-1.0 2,-0.5 -3,-0.4 -3,-0.2 0.869 57.0 158.5 67.3 37.2 24.5 10.7 11.2 41 38 A I < - 0 0 9 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.845 38.7-130.9 -93.6 124.4 21.8 13.4 11.4 42 39 A T - 0 0 99 -2,-0.5 2,-0.8 13,-0.4 13,-0.4 -0.640 10.5-152.1 -78.0 124.8 22.5 16.0 14.1 43 40 A L + 0 0 48 -2,-0.4 2,-0.3 11,-0.1 11,-0.2 -0.890 30.0 174.4 -95.9 108.5 19.6 16.7 16.4 44 41 A K E -C 53 0A 113 9,-2.9 9,-2.6 -2,-0.8 7,-0.1 -0.775 39.3 -77.4-120.6 160.0 20.2 20.2 17.5 45 42 A N E -C 52 0A 137 -2,-0.3 7,-0.2 7,-0.2 -1,-0.1 -0.295 41.4-177.9 -58.0 131.4 18.4 22.8 19.6 46 43 A D E > > +C 51 0A 22 5,-2.6 5,-1.9 1,-0.1 3,-1.1 -0.619 11.2 166.3-132.7 71.9 15.5 24.4 17.6 47 44 A P G > 5S+ 0 0 105 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.826 71.6 67.0 -60.7 -32.8 13.9 27.0 19.8 48 45 A K G 3 5S+ 0 0 141 1,-0.3 -2,-0.0 2,-0.1 34,-0.0 0.858 113.5 31.6 -54.0 -38.7 12.1 28.7 16.9 49 46 A F G < 5S- 0 0 8 -3,-1.1 -1,-0.3 2,-0.1 20,-0.2 0.112 112.6-114.9-110.4 20.5 10.0 25.5 16.6 50 47 A H T < 5S+ 0 0 105 -3,-1.5 19,-3.0 1,-0.2 2,-0.3 0.880 84.1 69.6 52.8 46.0 10.0 24.5 20.3 51 48 A G E S- D 0 61A 0 3,-2.6 3,-1.5 -2,-0.5 -19,-0.0 -0.969 79.9 -31.3-119.4 109.1 19.0 9.3 4.2 59 56 A E T 3 S- 0 0 78 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.830 127.5 -42.6 53.6 40.1 19.8 7.1 1.3 60 57 A G T 3 S+ 0 0 59 1,-0.3 2,-0.4 120,-0.0 -1,-0.3 0.556 116.6 109.9 86.3 9.4 20.1 10.0 -1.1 61 58 A H E < S- D 0 58A 58 -3,-1.5 -3,-2.6 -54,-0.0 2,-0.6 -0.948 70.5-122.6-120.0 140.9 17.1 12.0 0.1 62 59 A D E + D 0 57A 83 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.706 42.1 177.1 -80.7 114.3 17.1 15.2 2.1 63 60 A V E - D 0 56A 0 -7,-3.0 -7,-2.4 -2,-0.6 2,-0.3 -0.958 21.3-149.2-127.7 140.2 15.1 14.5 5.3 64 61 A R E -aD 9 55A 44 -56,-2.7 -54,-2.5 -2,-0.4 2,-0.4 -0.836 9.5-157.0-105.6 145.4 14.3 16.5 8.4 65 62 A L E -aD 10 54A 0 -11,-2.3 -11,-2.1 -2,-0.3 2,-0.4 -0.945 9.9-171.2-119.1 145.0 13.9 15.1 11.9 66 63 A L E -aD 11 53A 0 -56,-2.1 -54,-2.4 -2,-0.4 -13,-0.2 -0.990 16.9-176.8-144.2 129.7 11.9 16.7 14.7 67 64 A L E - D 0 52A 3 -15,-3.1 -15,-2.2 -2,-0.4 -54,-0.1 -0.959 28.7-137.5-117.8 107.8 11.4 16.0 18.4 68 65 A P E - D 0 51A 0 0, 0.0 -17,-0.3 0, 0.0 3,-0.2 -0.401 12.6-165.2 -62.8 142.1 8.9 18.5 19.9 69 66 A M + 0 0 56 -19,-3.0 -18,-0.2 -20,-0.2 -19,-0.1 -0.040 65.5 98.5-115.5 31.7 10.0 19.8 23.3 70 67 A T S S- 0 0 16 1,-0.2 -1,-0.1 -20,-0.2 -55,-0.1 0.485 97.8 -98.4 -90.8 -9.3 6.5 21.1 24.1 71 68 A Y > - 0 0 116 -57,-0.3 3,-1.9 -3,-0.2 -1,-0.2 0.117 48.4 -79.5 75.5 151.9 5.4 18.2 26.3 72 69 A M G > S+ 0 0 6 1,-0.3 3,-1.9 2,-0.2 51,-0.2 0.858 126.3 52.5 -55.5 -48.2 3.2 15.6 24.6 73 70 A N G 3 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.503 112.0 47.5 -75.2 -0.5 -0.2 17.3 24.6 74 71 A R G X S+ 0 0 141 -3,-1.9 3,-2.0 1,-0.1 4,-0.3 0.105 73.1 121.8-116.9 19.5 1.2 20.4 23.0 75 72 A S T X> + 0 0 0 -3,-1.9 4,-2.4 1,-0.3 3,-1.6 0.785 66.7 63.2 -54.7 -33.8 3.2 18.6 20.2 76 73 A G H 3> S+ 0 0 3 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.749 86.8 71.5 -64.4 -23.4 1.3 20.4 17.5 77 74 A Q H <4 S+ 0 0 99 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.666 113.2 28.6 -69.0 -13.7 2.8 23.7 18.7 78 75 A S H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 5,-0.2 0.766 122.6 47.2-101.3 -53.1 6.1 22.3 17.2 79 76 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.879 109.7 51.7 -63.0 -42.5 5.0 20.1 14.4 80 77 A V H X S+ 0 0 17 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.972 114.0 38.8 -66.5 -55.6 2.5 22.4 12.7 81 78 A P H > S+ 0 0 51 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.874 116.4 53.7 -64.4 -32.9 4.6 25.5 12.4 82 79 A F H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.960 111.6 43.5 -62.6 -51.0 7.7 23.5 11.4 83 80 A S H <>S+ 0 0 2 -4,-2.5 5,-2.8 -5,-0.2 4,-0.3 0.886 115.5 49.5 -65.3 -36.3 5.9 21.6 8.7 84 81 A K H ><5S+ 0 0 126 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.938 109.6 50.6 -67.5 -44.6 4.3 24.8 7.4 85 82 A F H 3<5S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.912 116.4 40.8 -59.6 -43.9 7.6 26.8 7.4 86 83 A Y T 3<5S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.379 110.6-121.9 -88.0 4.9 9.4 24.1 5.4 87 84 A Q T < 5 + 0 0 149 -3,-1.1 -85,-2.0 -4,-0.3 2,-0.7 0.897 52.6 162.0 56.8 45.8 6.3 23.5 3.1 88 85 A I < - 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e 0 138A 13 38,-2.6 40,-2.3 -2,-0.2 3,-1.1 -0.947 14.9-170.7-127.1 109.2 0.5 2.9 20.6 100 97 A L T 3 S+ 0 0 34 -2,-0.5 -1,-0.1 1,-0.2 38,-0.0 0.774 85.6 64.6 -62.9 -30.8 -1.5 1.6 23.6 101 98 A D T 3 S+ 0 0 129 15,-0.1 2,-0.3 39,-0.1 -1,-0.2 0.269 98.1 63.1 -84.2 11.1 -3.7 -0.6 21.3 102 99 A M S < S- 0 0 10 -3,-1.1 38,-2.7 35,-0.1 37,-0.6 -0.969 84.9-106.8-135.3 152.2 -0.7 -2.8 20.3 103 100 A N > - 0 0 111 -2,-0.3 3,-2.2 36,-0.2 35,-0.3 -0.379 43.4 -92.1 -73.1 151.1 1.6 -5.2 22.1 104 101 A P T 3 S+ 0 0 21 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.429 119.6 34.2 -54.2 133.2 5.2 -4.5 22.9 105 102 A G T 3 S+ 0 0 2 33,-0.5 2,-0.4 1,-0.4 34,-0.1 0.358 96.6 106.2 92.2 -4.9 7.1 -6.0 20.0 106 103 A V < + 0 0 43 -3,-2.2 32,-2.6 32,-0.1 -1,-0.4 -0.894 43.8 175.0-104.7 139.2 4.4 -5.1 17.5 107 104 A I E -F 137 0A 1 -2,-0.4 2,-0.4 83,-0.3 86,-0.2 -0.994 4.1-176.3-144.9 138.8 4.9 -2.2 15.1 108 105 A R E -F 136 0A 109 28,-1.9 28,-3.0 -2,-0.3 2,-0.6 -0.997 23.4-138.4-140.5 144.1 2.8 -1.0 12.3 109 106 A L E -F 135 0A 3 -2,-0.4 2,-0.4 78,-0.3 26,-0.2 -0.925 31.9-179.4 -99.7 122.7 2.9 1.7 9.6 110 107 A K E -F 134 0A 49 24,-2.5 24,-3.0 -2,-0.6 2,-0.5 -0.938 19.1-154.4-124.0 142.4 -0.5 3.4 9.2 111 108 A T E -F 133 0A 66 -2,-0.4 22,-0.2 22,-0.2 20,-0.1 -0.982 64.0 -15.8-115.9 127.6 -1.6 6.1 6.9 112 109 A G S S+ 0 0 8 20,-2.0 19,-0.1 18,-0.6 2,-0.1 -0.206 75.1 114.3 79.2-170.5 -4.5 8.3 8.0 113 110 A G - 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