==== 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 22-MAY-07 2Z2J . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.SELVARAJ,S.ROY,N.S.SINGH,R.SANGEETHA,U.VARSHNEY,M.VIJAYAN . 362 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 0.6 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 . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 2 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 145 0, 0.0 58,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-102.8 13.7 4.4 5.1 2 2 A A + 0 0 92 56,-0.1 57,-0.1 2,-0.1 0, 0.0 0.868 360.0 94.6 -68.3 -38.0 17.3 5.1 4.0 3 3 A E S S- 0 0 91 1,-0.1 56,-0.2 55,-0.0 82,-0.1 -0.321 80.0-121.2 -61.4 128.0 18.2 1.5 4.8 4 4 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 82,-0.3 -0.234 20.4-136.9 -67.0 158.9 18.1 -1.0 1.9 5 5 A L E -a 60 0A 3 54,-1.5 56,-2.5 80,-0.1 2,-0.6 -0.976 8.1-158.1-123.5 130.3 15.8 -4.0 1.9 6 6 A L E -ab 61 90A 0 83,-1.5 85,-3.1 -2,-0.4 2,-0.6 -0.929 7.8-169.9-110.8 112.7 16.8 -7.5 0.8 7 7 A V E -ab 62 91A 2 54,-3.0 56,-2.2 -2,-0.6 2,-0.5 -0.909 8.7-169.0-103.9 114.9 13.9 -9.7 -0.1 8 8 A V E -ab 63 92A 1 83,-3.8 85,-2.5 -2,-0.6 2,-0.5 -0.914 12.3-160.0-112.8 126.2 14.9 -13.3 -0.7 9 9 A G E - b 0 93A 0 54,-2.4 2,-0.2 -2,-0.5 85,-0.1 -0.864 20.1-144.5 -98.7 130.4 12.8 -16.1 -2.2 10 10 A L + 0 0 0 83,-1.9 16,-1.0 -2,-0.5 15,-0.5 -0.648 39.4 109.0 -96.6 155.3 14.0 -19.5 -1.3 11 11 A G - 0 0 0 -2,-0.2 12,-0.2 14,-0.2 7,-0.1 -0.962 59.5 -78.6 166.1-178.3 13.9 -22.6 -3.5 12 12 A N - 0 0 12 -2,-0.3 56,-0.1 5,-0.2 8,-0.1 -0.871 41.2-118.6-112.3 143.7 15.9 -25.1 -5.5 13 13 A P + 0 0 29 0, 0.0 4,-0.1 0, 0.0 56,-0.1 -0.314 67.7 64.9 -74.3 162.9 17.2 -24.5 -9.1 14 14 A G S >> S- 0 0 33 1,-0.1 3,-0.6 2,-0.1 4,-0.6 0.009 83.6 -96.2 103.7 150.2 16.2 -26.5 -12.0 15 15 A A T 34 S+ 0 0 21 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.792 116.8 65.4 -71.0 -30.6 13.0 -27.1 -13.9 16 16 A N T 34 S+ 0 0 103 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.772 110.4 37.8 -63.9 -24.5 12.1 -30.3 -12.0 17 17 A Y T X4 S+ 0 0 71 -3,-0.6 3,-2.0 1,-0.1 -1,-0.2 0.520 85.4 99.7-104.2 -7.7 11.7 -28.2 -8.8 18 18 A A T 3< S+ 0 0 24 -4,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.774 93.6 34.3 -50.3 -33.0 10.1 -25.1 -10.3 19 19 A R T 3 S+ 0 0 96 -4,-0.4 135,-0.7 -3,-0.2 -1,-0.3 0.218 92.7 116.6-111.9 17.2 6.7 -26.2 -9.2 20 20 A T B X S-G 153 0B 3 -3,-2.0 3,-2.4 133,-0.2 133,-0.2 -0.502 75.7-111.8 -87.8 155.3 7.4 -28.0 -5.9 21 21 A R G > S+ 0 0 8 131,-1.7 3,-1.3 128,-0.4 130,-0.2 0.831 115.9 59.3 -47.9 -41.8 6.2 -27.0 -2.4 22 22 A H G 3 S+ 0 0 4 128,-2.7 -1,-0.3 1,-0.2 3,-0.1 0.337 100.8 58.9 -72.9 4.7 9.8 -26.1 -1.4 23 23 A N G X> + 0 0 2 -3,-2.4 3,-1.6 -12,-0.2 4,-1.5 0.376 63.0 109.0-117.0 3.6 10.0 -23.5 -4.2 24 24 A L H <> S+ 0 0 5 -3,-1.3 4,-2.8 1,-0.3 5,-0.2 0.810 77.3 61.4 -50.0 -34.2 7.1 -21.1 -3.4 25 25 A G H 3> S+ 0 0 0 -15,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.859 102.6 50.2 -61.7 -36.8 9.7 -18.5 -2.4 26 26 A F H <> S+ 0 0 21 -3,-1.6 4,-1.7 -16,-1.0 -1,-0.2 0.919 111.7 47.9 -66.5 -44.5 11.0 -18.6 -5.9 27 27 A V H X S+ 0 0 51 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.938 112.6 47.4 -61.5 -51.2 7.6 -18.1 -7.4 28 28 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.864 110.1 53.6 -60.4 -36.9 6.6 -15.3 -5.1 29 29 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.860 107.5 52.1 -66.8 -33.3 10.0 -13.6 -5.8 30 30 A D H X S+ 0 0 23 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.811 106.9 51.1 -73.4 -29.7 9.2 -13.8 -9.6 31 31 A L H X S+ 0 0 9 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.931 110.9 50.2 -69.7 -43.9 5.8 -12.2 -9.2 32 32 A L H X S+ 0 0 10 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.876 109.7 49.3 -60.1 -42.5 7.5 -9.4 -7.3 33 33 A A H X>S+ 0 0 5 -4,-1.9 5,-2.6 2,-0.2 4,-1.4 0.904 114.1 45.9 -65.3 -41.9 10.1 -8.9 -9.9 34 34 A A H <5S+ 0 0 50 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.947 108.9 55.0 -65.6 -48.6 7.5 -8.8 -12.7 35 35 A R H <5S+ 0 0 86 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.873 115.0 40.3 -52.4 -38.9 5.3 -6.4 -10.7 36 36 A L H <5S- 0 0 60 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.698 109.2-125.8 -83.7 -19.4 8.2 -4.1 -10.4 37 37 A G T <5 + 0 0 39 -4,-1.4 2,-0.3 -3,-0.4 -3,-0.2 0.790 64.1 137.7 79.1 27.6 9.3 -4.7 -14.0 38 38 A A < - 0 0 14 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.820 43.2-143.4-106.7 144.7 12.8 -5.6 -12.9 39 39 A K - 0 0 43 -2,-0.3 13,-0.3 13,-0.1 2,-0.2 -0.839 15.9-117.4-112.1 150.2 14.8 -8.5 -14.2 40 40 A F + 0 0 27 -2,-0.4 2,-0.3 11,-0.1 11,-0.2 -0.489 33.6 178.2 -79.5 150.0 17.1 -10.8 -12.4 41 41 A K E -C 50 0A 87 9,-1.9 9,-2.6 -2,-0.2 239,-0.0 -0.991 37.2 -79.6-150.0 153.1 20.8 -11.0 -13.3 42 42 A A E -C 49 0A 75 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.163 31.6-161.1 -52.4 143.7 23.9 -12.9 -12.1 43 43 A H >> - 0 0 16 5,-1.6 4,-2.7 1,-0.1 3,-0.8 -0.974 6.6-172.8-126.3 106.7 25.6 -11.5 -9.0 44 44 A K T 34 S+ 0 0 181 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.807 77.1 64.0 -76.4 -29.6 29.1 -12.9 -9.1 45 45 A R T 34 S+ 0 0 171 1,-0.2 -1,-0.2 2,-0.1 37,-0.1 0.234 123.5 18.9 -78.8 15.6 30.2 -11.7 -5.6 46 46 A S T <4 S- 0 0 18 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.401 95.3-125.3-148.6 -39.7 27.5 -13.9 -4.1 47 47 A G S < S+ 0 0 21 -4,-2.7 19,-0.2 1,-0.4 -3,-0.1 0.346 76.0 103.5 99.8 -6.0 26.5 -16.5 -6.6 48 48 A A S S- 0 0 0 -5,-0.3 -5,-1.6 27,-0.2 -1,-0.4 -0.424 72.9-109.8 -98.9 176.7 22.8 -15.7 -6.5 49 49 A E E -CD 42 64A 27 15,-2.3 15,-1.7 -7,-0.2 2,-0.3 -0.901 33.9-164.4-111.7 142.1 20.7 -13.7 -9.0 50 50 A V E -CD 41 63A 4 -9,-2.6 -9,-1.9 -2,-0.4 2,-0.3 -0.884 17.8-174.2-128.9 158.3 19.4 -10.2 -8.2 51 51 A A E - D 0 62A 0 11,-2.0 11,-3.2 -2,-0.3 2,-0.3 -0.972 19.4-149.4-143.1 141.8 16.8 -7.7 -9.4 52 52 A T E + D 0 61A 69 -2,-0.3 2,-0.3 -13,-0.3 9,-0.2 -0.865 30.5 119.8-120.6 154.0 16.5 -4.2 -8.0 53 53 A G E - D 0 60A 20 7,-2.5 7,-3.5 -2,-0.3 2,-0.3 -0.936 46.8 -81.9-176.0-161.9 13.6 -1.8 -7.6 54 54 A R E + D 0 59A 143 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.940 27.8 170.8-131.8 153.9 11.4 0.3 -5.3 55 55 A S E > S- D 0 58A 23 3,-1.8 3,-2.5 -2,-0.3 -2,-0.0 -0.917 77.4 -1.2-161.3 131.8 8.4 -0.3 -3.0 56 56 A A T 3 S- 0 0 58 1,-0.3 3,-0.1 -2,-0.3 119,-0.0 0.805 128.2 -63.9 53.0 30.4 6.9 2.1 -0.5 57 57 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.0 2,-0.1 0.251 110.0 131.9 79.5 -14.4 9.6 4.5 -1.5 58 58 A R E < - D 0 55A 41 -3,-2.5 -3,-1.8 1,-0.1 2,-0.3 -0.432 66.5-112.9 -75.2 143.1 12.1 1.9 -0.1 59 59 A S E - D 0 54A 50 -58,-0.5 -54,-1.5 -56,-0.2 2,-0.4 -0.609 42.1-155.1 -72.7 128.7 15.1 0.8 -2.0 60 60 A L E -aD 5 53A 6 -7,-3.5 -7,-2.5 -2,-0.3 2,-0.5 -0.929 23.9-175.6-121.9 137.3 14.6 -2.9 -2.9 61 61 A V E -aD 6 52A 8 -56,-2.5 -54,-3.0 -2,-0.4 2,-0.4 -0.977 13.0-168.6-126.1 113.6 16.9 -5.8 -3.7 62 62 A L E +aD 7 51A 2 -11,-3.2 -11,-2.0 -2,-0.5 2,-0.3 -0.813 14.7 173.1-102.0 143.1 15.1 -9.0 -4.7 63 63 A A E -aD 8 50A 1 -56,-2.2 -54,-2.4 -2,-0.4 -13,-0.2 -0.987 27.8-165.9-153.1 161.3 17.1 -12.3 -5.0 64 64 A K E - D 0 49A 5 -15,-1.7 -15,-2.3 -2,-0.3 -54,-0.1 -0.967 32.6-119.5-146.1 124.4 17.1 -16.0 -5.5 65 65 A P - 0 0 2 0, 0.0 -17,-0.2 0, 0.0 7,-0.1 -0.228 9.0-153.3 -61.3 155.4 20.0 -18.3 -4.7 66 66 A R S S+ 0 0 103 -19,-0.2 2,-0.1 6,-0.1 -18,-0.1 0.382 75.3 77.3-108.6 -1.1 21.5 -20.3 -7.6 67 67 A C S S- 0 0 22 1,-0.2 2,-0.1 5,-0.1 5,-0.0 -0.404 97.5 -78.5 -96.4 178.1 22.8 -23.0 -5.2 68 68 A Y > - 0 0 122 -56,-0.1 3,-1.5 -2,-0.1 4,-0.3 -0.378 50.6 -93.9 -78.7 161.0 20.6 -25.7 -3.7 69 69 A M G > S+ 0 0 2 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.801 120.0 53.5 -41.2 -49.7 18.4 -25.1 -0.7 70 70 A N G 3 S+ 0 0 88 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.791 110.8 45.7 -62.9 -28.5 20.8 -26.2 2.0 71 71 A E G X S+ 0 0 71 -3,-1.5 3,-1.1 1,-0.2 4,-0.4 0.313 83.6 112.3 -95.9 8.6 23.6 -23.9 0.9 72 72 A S T X> S+ 0 0 0 -3,-1.4 3,-1.9 -4,-0.3 4,-1.3 0.869 70.6 50.7 -46.6 -56.5 21.1 -21.0 0.5 73 73 A G H 3> S+ 0 0 0 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.3 0.755 95.5 75.0 -59.4 -23.5 22.4 -18.8 3.3 74 74 A R H <4 S+ 0 0 170 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.706 105.2 34.5 -63.3 -20.2 25.9 -19.1 1.9 75 75 A Q H <> S+ 0 0 24 -3,-1.9 4,-0.6 -4,-0.4 -27,-0.2 0.696 114.0 57.2-103.9 -28.5 24.9 -16.7 -0.9 76 76 A I H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 3,-0.4 0.882 99.4 59.7 -70.2 -41.1 22.5 -14.5 1.0 77 77 A G H X S+ 0 0 18 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 0.957 111.0 38.3 -53.6 -56.8 25.1 -13.5 3.6 78 78 A P H > S+ 0 0 55 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.614 111.6 60.5 -71.9 -11.2 27.5 -11.9 1.1 79 79 A L H X S+ 0 0 1 -4,-0.6 4,-1.7 -3,-0.4 -2,-0.2 0.827 104.7 49.2 -81.2 -33.8 24.6 -10.5 -0.9 80 80 A A H <>S+ 0 0 7 -4,-2.1 5,-2.4 -3,-0.4 4,-0.2 0.807 111.4 49.4 -73.2 -31.9 23.7 -8.6 2.3 81 81 A K H ><5S+ 0 0 167 -4,-1.3 3,-0.5 3,-0.2 -2,-0.2 0.914 107.2 53.8 -74.1 -41.8 27.2 -7.3 2.6 82 82 A F H 3<5S+ 0 0 106 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.914 123.2 29.0 -56.9 -44.9 27.5 -6.2 -1.0 83 83 A Y T 3<5S- 0 0 56 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.353 108.5-127.9 -95.7 4.1 24.3 -4.1 -0.5 84 84 A S T < 5 + 0 0 93 -3,-0.5 2,-0.4 -4,-0.2 -3,-0.2 0.941 46.5 164.4 43.3 67.1 25.0 -3.6 3.2 85 85 A V < - 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