==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-AUG-11 3TD2 . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.SELVARAJ,R.AHMAD,U.VARSHNEY,M.VIJAYAN . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 10.2 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 . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 0 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 1 0 0 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 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 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.8 24.4 -40.4 4.3 2 2 A A + 0 0 108 56,-0.1 56,-0.0 2,-0.1 0, 0.0 -0.196 360.0 108.4-101.8 28.4 26.2 -39.5 1.1 3 3 A E - 0 0 99 56,-0.0 56,-0.3 82,-0.0 2,-0.1 -0.867 67.9-126.0-115.0 142.8 23.3 -36.9 1.2 4 4 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 56,-0.2 -0.460 15.6-129.9 -88.4 160.0 23.5 -33.2 1.9 5 5 A L E -a 60 0A 8 54,-2.6 56,-1.7 -2,-0.1 2,-0.5 -0.746 5.5-147.1-105.6 153.0 21.7 -31.0 4.4 6 6 A L E -ab 61 90A 0 83,-2.0 85,-3.6 -2,-0.3 2,-0.7 -0.988 10.6-168.0-115.8 122.9 19.9 -27.8 3.8 7 7 A V E -ab 62 91A 0 54,-2.8 56,-2.2 -2,-0.5 2,-0.4 -0.916 12.7-172.5-113.3 104.5 20.0 -25.4 6.7 8 8 A V E -ab 63 92A 1 83,-3.2 85,-2.9 -2,-0.7 2,-0.5 -0.789 11.4-160.1-100.4 141.2 17.5 -22.6 6.1 9 9 A G E - b 0 93A 0 54,-2.1 2,-0.3 -2,-0.4 85,-0.2 -0.984 16.3-137.6-119.1 126.2 17.1 -19.5 8.2 10 10 A L + 0 0 0 83,-2.3 16,-0.8 -2,-0.5 15,-0.8 -0.662 41.6 118.7 -89.6 136.4 13.9 -17.6 8.1 11 11 A G - 0 0 0 -2,-0.3 12,-0.2 14,-0.2 56,-0.1 -0.990 55.0 -98.5-176.2 172.1 13.7 -13.8 7.9 12 12 A N - 0 0 13 -2,-0.3 56,-0.2 5,-0.2 8,-0.1 -0.870 38.0-125.8-104.6 140.2 12.7 -10.6 6.2 13 13 A P + 0 0 48 0, 0.0 56,-0.1 0, 0.0 3,-0.1 -0.436 62.3 86.2 -79.9 164.0 15.2 -8.7 4.2 14 14 A G S >> S- 0 0 45 -2,-0.1 3,-1.5 1,-0.1 4,-1.5 0.115 78.1-104.1 114.6 131.7 15.8 -5.0 4.9 15 15 A A T 34 S+ 0 0 93 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.826 119.6 49.6 -51.0 -42.7 18.0 -3.1 7.3 16 16 A N T 34 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.618 113.1 48.0 -76.2 -13.1 15.2 -2.2 9.7 17 17 A Y T X4 S+ 0 0 96 -3,-1.5 3,-2.0 1,-0.1 -5,-0.2 0.651 87.0 87.6 -98.1 -20.9 14.0 -5.8 9.8 18 18 A A T 3< S+ 0 0 43 -4,-1.5 9,-0.2 1,-0.3 -2,-0.1 0.821 95.9 37.3 -48.2 -44.1 17.4 -7.4 10.4 19 19 A R T 3 S+ 0 0 155 -4,-0.4 135,-0.9 132,-0.1 -1,-0.3 0.150 92.4 113.5-101.3 17.6 17.2 -7.0 14.2 20 20 A T B X S-G 153 0B 3 -3,-2.0 3,-1.5 133,-0.2 133,-0.2 -0.393 81.7-105.8 -80.8 164.9 13.4 -7.8 14.6 21 21 A R G > S+ 0 0 7 131,-1.8 3,-1.0 128,-0.4 130,-0.2 0.818 117.8 59.4 -61.0 -33.0 12.2 -11.0 16.3 22 22 A H G 3 S+ 0 0 6 128,-2.5 -1,-0.3 1,-0.2 3,-0.2 0.458 96.7 66.0 -77.4 -0.8 11.2 -12.6 13.0 23 23 A N G <> + 0 0 4 -3,-1.5 4,-1.6 127,-0.2 3,-0.5 0.180 62.6 106.0-108.7 15.8 14.8 -12.4 11.8 24 24 A L H <> S+ 0 0 6 -3,-1.0 4,-2.8 1,-0.2 5,-0.3 0.879 76.6 57.2 -63.6 -39.7 16.6 -14.8 14.2 25 25 A G H > S+ 0 0 0 -15,-0.8 4,-1.9 -3,-0.2 -1,-0.2 0.800 105.2 54.2 -61.4 -27.9 17.0 -17.5 11.7 26 26 A F H > S+ 0 0 15 -16,-0.8 4,-2.6 -3,-0.5 -1,-0.2 0.940 110.7 42.7 -70.1 -50.4 18.9 -15.0 9.5 27 27 A V H X S+ 0 0 52 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.965 115.7 49.1 -61.6 -51.1 21.3 -14.1 12.2 28 28 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.872 113.9 46.5 -55.8 -40.4 21.8 -17.7 13.3 29 29 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.882 110.5 53.0 -68.6 -37.2 22.3 -18.7 9.6 30 30 A D H X S+ 0 0 69 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.878 109.4 51.0 -62.3 -39.4 24.8 -15.7 9.2 31 31 A L H X S+ 0 0 38 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.916 109.8 47.7 -62.2 -50.6 26.7 -17.1 12.2 32 32 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 3,-0.5 0.966 108.7 52.4 -58.9 -55.4 27.0 -20.6 10.9 33 33 A A H ><>S+ 0 0 3 -4,-2.3 5,-2.7 1,-0.3 3,-0.5 0.923 110.4 51.1 -46.4 -48.1 28.2 -19.5 7.4 34 34 A A H ><5S+ 0 0 77 -4,-1.8 3,-0.9 1,-0.2 -1,-0.3 0.870 108.4 51.4 -56.5 -39.8 30.8 -17.5 9.3 35 35 A R H 3<5S+ 0 0 82 -4,-1.9 -1,-0.2 -3,-0.5 -2,-0.2 0.790 113.3 44.1 -69.0 -28.4 31.9 -20.6 11.3 36 36 A L T <<5S- 0 0 46 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.248 113.3-113.0-100.9 10.3 32.3 -22.7 8.2 37 37 A G T < 5 + 0 0 73 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.719 66.3 155.8 64.7 23.0 34.1 -20.1 6.2 38 38 A A < - 0 0 17 -5,-2.7 2,-0.4 -6,-0.3 -1,-0.2 -0.638 32.7-152.5 -90.5 137.2 31.1 -20.0 3.9 39 39 A K - 0 0 132 -2,-0.3 2,-0.9 13,-0.2 13,-0.3 -0.893 23.1-115.6-111.1 135.9 30.2 -17.0 1.7 40 40 A F - 0 0 42 -2,-0.4 2,-0.5 11,-0.1 11,-0.3 -0.603 32.1-164.7 -78.3 104.1 26.6 -16.2 0.7 41 41 A K E -C 50 0A 121 9,-3.2 9,-3.2 -2,-0.9 2,-0.3 -0.757 27.2-113.1 -92.1 126.1 26.3 -16.5 -3.1 42 42 A A E -C 49 0A 72 -2,-0.5 2,-1.2 7,-0.2 7,-0.2 -0.413 28.2-150.8 -58.7 114.2 23.2 -15.0 -4.9 43 43 A H >> + 0 0 14 5,-1.5 4,-3.0 -2,-0.3 3,-1.5 -0.702 18.4 179.0 -96.3 83.3 21.3 -18.0 -6.2 44 44 A K T 34 S+ 0 0 160 -2,-1.2 -1,-0.2 1,-0.2 5,-0.0 0.826 73.7 67.0 -46.0 -42.1 19.5 -16.7 -9.3 45 45 A R T 34 S+ 0 0 184 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.688 121.8 10.7 -61.8 -27.1 18.0 -20.1 -10.0 46 46 A S T <4 S- 0 0 18 -3,-1.5 -2,-0.2 2,-0.3 -1,-0.2 0.615 101.5-116.6-120.5 -33.5 15.7 -20.3 -6.9 47 47 A G S < S+ 0 0 16 -4,-3.0 -3,-0.1 1,-0.5 28,-0.1 -0.077 78.2 100.0 121.1 -34.0 15.9 -16.7 -5.6 48 48 A A S S- 0 0 0 27,-0.4 -5,-1.5 17,-0.1 -1,-0.5 -0.350 76.2-107.0 -80.1 163.1 17.5 -17.1 -2.2 49 49 A E E -CD 42 64A 51 15,-2.2 15,-1.8 -7,-0.2 2,-0.4 -0.706 39.3-157.5 -89.0 148.6 21.2 -16.5 -1.4 50 50 A V E -CD 41 63A 4 -9,-3.2 -9,-3.2 -2,-0.3 2,-0.4 -0.985 18.8-175.5-138.5 135.9 23.3 -19.7 -0.8 51 51 A A E - D 0 62A 0 11,-1.3 11,-3.0 -2,-0.4 2,-0.3 -0.939 17.3-146.6-122.4 144.6 26.5 -20.6 1.0 52 52 A T E + D 0 61A 76 -2,-0.4 2,-0.3 -13,-0.3 9,-0.2 -0.885 28.9 146.5-114.0 151.1 28.0 -24.1 0.9 53 53 A G E - D 0 60A 17 7,-2.1 7,-2.5 -2,-0.3 2,-0.3 -0.872 39.0-112.6-160.6-171.5 30.0 -25.8 3.7 54 54 A R E + D 0 59A 183 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.990 27.1 172.3-144.2 128.9 31.0 -28.8 5.7 55 55 A S E > S- D 0 58A 13 3,-1.7 3,-3.2 -2,-0.3 -2,-0.0 -0.998 72.9 -8.5-143.0 137.3 30.2 -29.7 9.3 56 56 A A T 3 S- 0 0 73 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.699 130.3 -58.2 47.8 22.0 30.8 -32.9 11.3 57 57 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.374 110.7 124.7 93.2 -1.9 31.9 -34.3 7.9 58 58 A R E < - D 0 55A 51 -3,-3.2 -3,-1.7 1,-0.1 -1,-0.3 -0.701 66.7-109.7 -99.9 143.8 28.6 -33.6 6.2 59 59 A S E - D 0 54A 60 -2,-0.3 -54,-2.6 -56,-0.3 2,-0.4 -0.475 40.0-165.3 -64.4 128.6 27.7 -31.7 3.0 60 60 A L E -aD 5 53A 3 -7,-2.5 -7,-2.1 -2,-0.2 2,-0.4 -0.941 20.5-174.9-122.5 143.2 25.9 -28.5 3.9 61 61 A V E -aD 6 52A 7 -56,-1.7 -54,-2.8 -2,-0.4 2,-0.3 -0.993 16.6-162.9-128.1 124.8 23.9 -26.0 1.9 62 62 A L E -aD 7 51A 1 -11,-3.0 -11,-1.3 -2,-0.4 2,-0.3 -0.827 9.5-173.0-106.3 151.7 22.8 -23.0 3.8 63 63 A A E -aD 8 50A 0 -56,-2.2 -54,-2.1 -2,-0.3 -13,-0.2 -0.998 20.7-176.8-151.5 144.1 20.1 -20.7 2.6 64 64 A K E - D 0 49A 16 -15,-1.8 -15,-2.2 -2,-0.3 -54,-0.1 -0.983 33.2-121.6-136.9 122.2 18.3 -17.4 3.4 65 65 A P - 0 0 1 0, 0.0 -17,-0.1 0, 0.0 7,-0.1 -0.320 9.4-153.2 -63.1 147.7 15.3 -16.2 1.3 66 66 A R S S+ 0 0 107 6,-0.1 2,-0.1 2,-0.1 -18,-0.1 0.277 72.6 65.8-107.2 7.9 15.5 -12.9 -0.5 67 67 A C S S- 0 0 23 1,-0.2 -56,-0.1 -56,-0.1 2,-0.1 -0.396 101.4 -57.4-109.7-168.5 11.8 -12.1 -0.5 68 68 A Y > - 0 0 154 -56,-0.2 3,-2.2 -2,-0.1 4,-0.2 -0.405 55.0-104.2 -73.3 152.9 9.3 -11.4 2.3 69 69 A M G > S+ 0 0 2 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.778 115.6 67.2 -42.4 -36.8 8.8 -13.9 5.1 70 70 A N G 3 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.663 104.0 39.6 -67.9 -20.4 5.5 -15.0 3.5 71 71 A E G X> S+ 0 0 60 -3,-2.2 3,-1.3 1,-0.1 4,-0.6 0.157 72.5 118.7-116.4 19.8 7.0 -16.6 0.3 72 72 A S H X> S+ 0 0 0 -3,-1.2 3,-2.3 1,-0.3 4,-2.2 0.925 78.3 56.1 -41.6 -53.8 10.1 -18.3 1.8 73 73 A G H 3> S+ 0 0 0 1,-0.3 4,-1.9 44,-0.3 -1,-0.3 0.754 95.9 61.5 -54.5 -32.5 8.6 -21.5 0.6 74 74 A R H <4 S+ 0 0 177 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.614 118.0 31.8 -71.7 -9.8 8.3 -20.2 -3.0 75 75 A Q H S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.748 117.1 55.5 -72.1 -26.8 12.8 -24.9 -5.7 79 79 A L H X S+ 0 0 0 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.920 107.6 46.1 -71.5 -47.9 16.1 -24.6 -3.8 80 80 A A H <>S+ 0 0 3 -4,-2.2 5,-1.8 1,-0.2 -1,-0.2 0.921 114.6 50.2 -58.5 -45.2 15.7 -27.9 -1.9 81 81 A K H ><5S+ 0 0 64 -4,-1.7 3,-1.7 3,-0.2 -2,-0.2 0.922 106.3 55.7 -58.0 -48.6 14.7 -29.5 -5.2 82 82 A F H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.957 114.6 36.8 -48.7 -61.7 17.8 -28.0 -7.0 83 83 A Y T 3<5S- 0 0 78 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.287 112.4-126.2 -79.1 13.9 20.3 -29.6 -4.5 84 84 A S T < 5 + 0 0 95 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.890 48.1 163.7 37.7 68.8 18.0 -32.6 -4.4 85 85 A V < - 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