==== 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 29-MAR-13 4JY7 . 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) . 8921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 73.1 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 . 14 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 15.0 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 88,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 149.0 -19.0 24.2 -34.6 2 2 A S - 0 0 58 1,-0.1 178,-0.2 86,-0.1 176,-0.1 -0.305 360.0-120.1 -50.7 136.3 -17.3 25.7 -31.6 3 3 A N - 0 0 68 174,-0.1 2,-0.6 173,-0.1 173,-0.2 -0.463 33.8-108.4 -65.3 151.7 -13.8 24.4 -30.8 4 4 A I + 0 0 1 171,-1.5 86,-0.2 1,-0.1 85,-0.1 -0.880 46.6 166.6 -84.3 124.6 -13.7 22.8 -27.3 5 5 A S + 0 0 38 84,-2.3 56,-3.0 -2,-0.6 2,-0.4 0.432 60.0 48.3-117.2 -8.3 -11.8 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 -0.995 60.5-170.9-136.4 124.5 -12.5 23.9 -21.6 7 7 A I E -ab 62 91A 0 54,-2.3 56,-2.2 -2,-0.4 2,-0.4 -0.994 9.1-168.3-117.5 123.3 -12.3 20.3 -20.6 8 8 A V E -ab 63 92A 0 83,-3.1 85,-3.0 -2,-0.5 2,-0.5 -0.880 8.8-158.7-110.2 137.4 -13.7 19.3 -17.2 9 9 A G E - b 0 93A 0 54,-2.2 2,-0.2 -2,-0.4 85,-0.2 -0.991 14.8-144.2-115.1 132.9 -13.2 16.0 -15.4 10 10 A L + 0 0 0 83,-2.1 16,-1.4 -2,-0.5 15,-0.5 -0.608 42.4 104.6 -96.5 148.0 -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 61.5 -75.9 168.1-177.1 -14.8 13.3 -9.5 12 12 A N - 0 0 12 -2,-0.3 2,-0.1 56,-0.2 5,-0.1 -0.859 42.8-114.2-109.8 147.0 -14.1 13.5 -5.7 13 13 A P + 0 0 19 0, 0.0 3,-0.1 0, 0.0 56,-0.1 -0.416 67.4 51.9 -75.3 157.9 -11.1 14.9 -4.0 14 14 A G S >> S- 0 0 41 1,-0.1 3,-1.7 2,-0.1 4,-1.2 0.166 85.5 -86.9 98.5 153.4 -8.6 12.9 -2.0 15 15 A S T 34 S+ 0 0 107 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.801 119.5 63.0 -70.7 -25.5 -6.6 9.8 -2.2 16 16 A E T 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.660 112.7 35.6 -70.6 -19.7 -9.4 7.6 -0.9 17 17 A Y T X4 S+ 0 0 64 -3,-1.7 3,-1.9 -5,-0.1 6,-0.3 0.570 91.3 94.5-105.0 -5.1 -11.5 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 0.775 92.6 37.2 -59.5 -37.4 -8.7 8.7 -6.6 19 19 A Q T 3 S+ 0 0 110 -4,-0.5 134,-0.6 3,-0.0 -1,-0.3 0.422 93.8 112.3 -96.8 6.7 -9.1 5.1 -7.9 20 20 A T B X S-G 152 0B 8 -3,-1.9 3,-2.1 132,-0.2 132,-0.3 -0.429 76.5-117.2 -85.6 161.8 -12.8 4.9 -7.6 21 21 A R G > S+ 0 0 23 130,-2.3 3,-1.7 127,-0.5 129,-0.2 0.774 110.5 67.2 -67.8 -28.9 -15.1 4.6 -10.6 22 22 A H G 3 S+ 0 0 16 127,-2.3 73,-0.3 1,-0.3 3,-0.3 0.623 94.5 61.7 -70.2 -9.1 -16.8 7.9 -9.9 23 23 A N G <> + 0 0 3 -3,-2.1 4,-2.2 -6,-0.3 3,-0.3 0.153 63.6 116.6-100.9 20.7 -13.5 9.6 -10.7 24 24 A A H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.876 75.7 55.4 -54.5 -38.1 -13.4 8.4 -14.3 25 25 A G H > S+ 0 0 0 -15,-0.5 4,-2.2 -3,-0.3 -1,-0.3 0.902 105.3 50.4 -61.6 -47.5 -13.6 12.0 -15.4 26 26 A F H > S+ 0 0 9 -16,-1.4 4,-2.8 -3,-0.3 5,-0.3 0.894 107.2 55.2 -56.0 -43.3 -10.5 12.9 -13.3 27 27 A W H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.948 109.4 47.2 -59.2 -45.8 -8.5 10.0 -14.9 28 28 A F H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.942 116.4 41.3 -61.8 -48.4 -9.3 11.3 -18.3 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.847 113.9 52.2 -73.3 -39.4 -8.3 14.9 -17.7 30 30 A E H X S+ 0 0 101 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.916 112.6 45.9 -59.5 -42.0 -5.2 14.1 -15.5 31 31 A Q H X S+ 0 0 70 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.875 112.2 50.9 -71.0 -37.8 -3.9 11.9 -18.3 32 32 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 6,-0.2 0.901 109.0 52.8 -61.8 -44.4 -4.7 14.5 -20.9 33 33 A A H X>S+ 0 0 3 -4,-2.5 5,-3.4 1,-0.2 4,-0.5 0.948 112.3 42.5 -58.4 -47.3 -2.9 17.1 -18.9 34 34 A D H ><5S+ 0 0 136 -4,-2.2 3,-0.8 3,-0.2 -1,-0.2 0.881 107.7 60.9 -72.8 -30.8 0.2 15.1 -18.6 35 35 A K H 3<5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.907 117.0 32.0 -57.2 -41.0 0.1 14.0 -22.3 36 36 A Y H 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.361 113.6-112.9-101.6 6.7 0.4 17.7 -23.3 37 37 A G T <<5 + 0 0 60 -3,-0.8 2,-0.5 -4,-0.5 -3,-0.2 0.856 60.6 155.9 64.7 33.6 2.5 18.9 -20.4 38 38 A I < - 0 0 10 -5,-3.4 2,-0.4 -6,-0.2 -1,-0.2 -0.848 37.5-136.6 -92.1 131.1 -0.2 21.0 -19.0 39 39 A T - 0 0 91 -2,-0.5 2,-0.6 13,-0.3 13,-0.3 -0.735 8.2-148.9 -94.8 128.7 0.3 21.7 -15.3 40 40 A L - 0 0 40 -2,-0.4 2,-0.3 11,-0.1 11,-0.2 -0.869 24.8-179.1 -91.4 121.5 -2.8 21.4 -13.0 41 41 A K E -C 50 0A 145 9,-3.2 9,-2.8 -2,-0.6 7,-0.1 -0.912 36.7 -85.5-120.9 159.8 -2.5 23.7 -10.1 42 42 A N E -C 49 0A 137 -2,-0.3 7,-0.3 7,-0.2 -1,-0.0 -0.253 39.9-177.4 -59.3 134.1 -4.7 24.6 -7.1 43 43 A D E > > +C 48 0A 27 5,-2.9 5,-1.7 1,-0.1 3,-1.4 -0.649 9.2 170.1-139.6 71.8 -7.2 27.2 -8.0 44 44 A P G > 5S+ 0 0 105 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.790 71.7 71.1 -58.8 -31.1 -9.2 28.0 -4.8 45 45 A K G 3 5S+ 0 0 137 1,-0.3 -2,-0.0 2,-0.1 34,-0.0 0.846 112.5 31.6 -50.2 -38.5 -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 0.120 112.0-115.2-112.3 24.5 -12.9 28.4 -8.4 47 47 A H T < 5S+ 0 0 100 -3,-1.6 19,-2.9 1,-0.2 20,-0.3 0.876 84.1 72.1 50.8 41.6 -13.0 25.6 -5.9 48 48 A G E S- D 0 58A 0 3,-3.1 3,-1.5 -2,-0.5 -2,-0.0 -0.968 76.6 -29.2-126.0 109.5 -3.2 21.1 -27.1 56 56 A E T 3 S- 0 0 68 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.845 128.4 -43.4 54.8 42.1 -2.7 20.4 -30.8 57 57 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 120,-0.0 -1,-0.3 0.551 118.8 99.2 87.3 7.0 -2.5 24.1 -31.6 58 58 A H E < S- D 0 55A 55 -3,-1.5 -3,-3.1 -5,-0.1 2,-0.6 -0.941 73.1-119.1-129.8 145.3 -5.3 25.5 -29.5 59 59 A D E + D 0 54A 80 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.784 42.0 177.4 -86.2 113.8 -5.3 27.1 -26.1 60 60 A V E - D 0 53A 0 -7,-2.7 -7,-2.2 -2,-0.6 2,-0.3 -0.976 22.1-143.0-126.3 138.2 -7.4 24.9 -23.8 61 61 A R E -aD 6 52A 52 -56,-3.0 -54,-2.3 -2,-0.4 2,-0.4 -0.803 13.2-154.9 -99.0 145.5 -8.3 25.1 -20.1 62 62 A L E -aD 7 51A 0 -11,-2.6 -11,-2.2 -2,-0.3 2,-0.4 -0.951 11.9-172.1-122.3 135.2 -8.5 22.0 -17.9 63 63 A L E -aD 8 50A 0 -56,-2.2 -54,-2.2 -2,-0.4 -13,-0.2 -0.993 18.9-178.8-138.1 132.5 -10.6 21.8 -14.8 64 64 A L E - D 0 49A 1 -15,-2.7 -15,-2.4 -2,-0.4 -54,-0.1 -0.973 30.0-136.4-120.1 109.2 -11.1 19.3 -11.9 65 65 A P E - D 0 48A 0 0, 0.0 -17,-0.3 0, 0.0 3,-0.2 -0.485 12.1-164.5 -62.1 146.4 -13.7 20.6 -9.4 66 66 A M + 0 0 56 -19,-2.9 -18,-0.2 -20,-0.2 -19,-0.1 -0.054 66.7 98.6-119.0 30.9 -12.5 20.0 -5.8 67 67 A T S S- 0 0 16 -20,-0.3 -1,-0.1 1,-0.2 -55,-0.1 0.507 99.4 -99.1 -89.5 -9.9 -16.1 20.6 -4.4 68 68 A Y > - 0 0 110 -57,-0.3 3,-2.0 -3,-0.2 -1,-0.2 0.201 47.5 -78.3 74.4 151.1 -16.9 16.9 -4.2 69 69 A M G > S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 51,-0.2 0.820 126.9 52.4 -49.8 -50.1 -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 0.561 112.3 46.1 -74.5 -6.9 -22.5 16.7 -6.1 71 71 A R G X S+ 0 0 150 -3,-2.0 3,-2.0 1,-0.1 -1,-0.3 0.110 71.8 124.5-115.6 22.2 -21.3 20.2 -5.8 72 72 A S T X> + 0 0 0 -3,-1.9 4,-2.5 1,-0.3 3,-1.6 0.715 64.5 67.3 -57.2 -32.5 -19.3 20.3 -9.1 73 73 A G H 3> S+ 0 0 5 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.795 84.5 71.3 -59.4 -27.0 -21.3 23.3 -10.3 74 74 A Q H <4 S+ 0 0 104 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.672 114.2 26.6 -67.0 -12.7 -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 0.758 122.6 48.4-105.2 -53.2 -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 0.931 111.7 50.5 -59.4 -43.1 -17.6 24.6 -13.3 77 77 A V H X S+ 0 0 16 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.980 114.4 38.3 -66.5 -52.2 -20.2 27.5 -13.3 78 78 A P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.883 117.0 52.9 -69.3 -30.9 -18.2 30.4 -11.9 79 79 A F H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.958 111.6 43.9 -64.7 -50.7 -15.1 29.3 -13.8 80 80 A S H <>S+ 0 0 2 -4,-2.4 5,-3.0 -5,-0.3 4,-0.3 0.898 116.2 49.0 -64.9 -34.3 -16.8 29.1 -17.2 81 81 A K H ><5S+ 0 0 125 -4,-2.4 3,-0.7 -5,-0.3 -2,-0.2 0.897 108.7 52.2 -68.1 -43.1 -18.5 32.4 -16.5 82 82 A F H 3<5S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.915 116.6 38.5 -61.4 -45.9 -15.4 34.2 -15.4 83 83 A Y T 3<5S- 0 0 76 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.398 109.6-124.1 -88.3 3.7 -13.5 33.2 -18.6 84 84 A Q T < 5 + 0 0 184 -3,-0.7 2,-0.6 -4,-0.3 -3,-0.2 0.916 50.7 163.3 58.4 46.0 -16.7 33.7 -20.7 85 85 A I < - 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e 0 134A 3 -73,-0.3 2,-0.5 -2,-0.3 40,-0.2 -0.431 35.8-154.5 -66.4 141.4 -18.4 8.1 -15.3 96 96 A E E > - e 0 135A 16 38,-2.5 40,-2.4 3,-0.1 3,-1.1 -0.960 12.0-168.5-127.1 107.2 -21.5 6.6 -17.0 97 97 A L T 3 S+ 0 0 39 -2,-0.5 -1,-0.1 1,-0.2 38,-0.0 0.771 84.3 66.1 -58.7 -34.0 -23.3 3.8 -15.1 98 98 A D T 3 S+ 0 0 108 39,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.225 97.0 61.2 -81.6 16.2 -25.4 3.0 -18.2 99 99 A M S < S- 0 0 29 -3,-1.1 38,-2.8 35,-0.1 37,-0.8 -0.993 83.6-117.4-142.2 145.8 -22.5 1.8 -20.2 100 100 A N > - 0 0 108 -2,-0.4 3,-2.1 35,-0.2 35,-0.2 -0.392 44.2 -78.6 -77.6 160.8 -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,-0.1 -0.327 121.4 31.7 -58.2 131.6 -16.3 -0.8 -19.0 102 102 A G T 3 S+ 0 0 1 33,-0.5 2,-0.4 1,-0.4 59,-0.1 0.327 95.8 106.4 95.7 -5.0 -14.7 -0.3 -22.4 103 103 A V < + 0 0 43 -3,-2.1 32,-2.5 32,-0.1 -1,-0.4 -0.885 43.5 173.2-102.1 139.6 -17.6 1.6 -23.9 104 104 A I E -F 134 0A 0 -2,-0.4 2,-0.4 86,-0.3 86,-0.2 -0.984 5.0-177.3-146.6 139.5 -17.1 5.4 -24.3 105 105 A R E -F 133 0A 94 28,-1.8 28,-2.9 -2,-0.3 2,-0.5 -0.995 22.7-140.2-138.9 145.0 -19.4 7.9 -26.1 106 106 A L E -F 132 0A 4 -2,-0.4 2,-0.3 78,-0.3 26,-0.2 -0.898 29.3-177.9 -98.9 131.5 -19.4 11.6 -26.9 107 107 A K E -F 131 0A 75 24,-2.3 24,-3.1 -2,-0.5 2,-0.5 -0.971 17.6-152.4-129.3 142.1 -22.8 13.2 -26.4 108 108 A T E -F 130 0A 60 -2,-0.3 22,-0.2 22,-0.2 20,-0.1 -0.985 62.3 -20.0-119.3 121.7 -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 -0.159 74.9 111.9 84.6-168.5 -26.9 18.1 -24.9 110 110 A G - 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