==== 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 3TD6 . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.SELVARAJ,R.AHMAD,U.VARSHNEY,M.VIJAYAN . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 10.3 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 . 18 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 0 0 2 0 0 0 1 0 0 0 0 0 0 1 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 0 154 0, 0.0 2,-3.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.3 22.7 -42.0 4.8 2 2 A A + 0 0 113 56,-0.1 56,-0.0 2,-0.0 0, 0.0 -0.357 360.0 134.8 -72.6 61.6 25.0 -40.7 2.0 3 3 A E - 0 0 82 -2,-3.7 56,-0.4 82,-0.0 2,-0.2 -0.894 54.2-132.8-123.8 146.6 22.3 -38.0 1.8 4 4 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 56,-0.2 -0.600 17.1-142.7 -92.1 156.6 22.2 -34.2 1.6 5 5 A L E -a 60 0A 4 54,-1.7 56,-2.7 -2,-0.2 2,-0.6 -0.835 5.3-140.8-114.1 154.4 20.1 -31.9 3.7 6 6 A L E -ab 61 90A 0 83,-2.3 85,-3.6 -2,-0.3 2,-0.5 -0.980 14.9-164.6-115.6 115.7 18.3 -28.8 2.6 7 7 A V E -ab 62 91A 0 54,-2.5 56,-2.7 -2,-0.6 2,-0.5 -0.872 10.4-160.6 -97.8 136.0 18.4 -26.0 5.2 8 8 A V E -ab 63 92A 0 83,-4.2 85,-3.2 -2,-0.5 2,-0.8 -0.944 12.5-161.1-129.0 117.0 15.9 -23.3 4.4 9 9 A G E - b 0 93A 0 54,-2.7 2,-0.2 -2,-0.5 17,-0.1 -0.816 16.0-153.2 -95.0 106.4 16.0 -19.7 5.8 10 10 A L + 0 0 0 83,-1.8 16,-0.8 -2,-0.8 15,-0.8 -0.571 37.9 118.3 -78.3 139.8 12.6 -18.2 5.5 11 11 A G - 0 0 0 -2,-0.2 56,-0.2 14,-0.2 12,-0.1 -0.961 56.0 -85.4 179.7 177.1 12.4 -14.4 5.1 12 12 A N - 0 0 9 5,-0.5 2,-0.3 -2,-0.3 56,-0.1 -0.805 36.8-110.6-109.3 148.7 11.4 -11.5 2.9 13 13 A P S S+ 0 0 34 0, 0.0 4,-0.2 0, 0.0 2,-0.2 -0.566 73.7 45.6 -74.1 128.6 13.2 -9.7 0.0 14 14 A G S S- 0 0 51 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.508 85.2 -87.8 126.3 167.5 14.4 -6.2 0.6 15 15 A A S > S+ 0 0 90 2,-0.2 3,-0.5 -2,-0.2 4,-0.3 0.681 119.2 58.5 -84.5 -22.2 16.1 -3.8 3.0 16 16 A N G > S+ 0 0 131 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.954 110.2 44.1 -69.2 -47.9 12.9 -2.9 4.9 17 17 A Y G 3 S+ 0 0 71 1,-0.2 -5,-0.5 -4,-0.2 -1,-0.2 0.263 88.6 91.6 -80.6 8.0 12.4 -6.6 5.8 18 18 A A G < S+ 0 0 43 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.779 98.7 26.9 -76.9 -26.7 16.0 -7.3 6.8 19 19 A R S < S+ 0 0 143 -3,-0.7 135,-1.0 -4,-0.3 -1,-0.2 0.263 94.6 112.8-120.9 8.6 15.6 -6.6 10.5 20 20 A T B > S-G 153 0B 6 133,-0.2 3,-0.8 -4,-0.1 133,-0.3 -0.326 79.9-109.8 -72.8 164.6 11.9 -7.3 10.9 21 21 A R G > S+ 0 0 8 131,-1.4 3,-1.9 129,-0.5 130,-0.2 0.935 111.6 67.1 -60.9 -50.4 10.9 -10.3 13.0 22 22 A H G 3 S+ 0 0 3 128,-2.2 3,-0.4 1,-0.3 73,-0.3 0.645 95.5 59.4 -45.7 -25.8 9.7 -12.4 10.1 23 23 A N G X> + 0 0 7 -3,-0.8 4,-1.6 127,-0.2 3,-1.4 0.299 59.8 109.2 -95.3 9.8 13.2 -12.7 8.7 24 24 A L H <> S+ 0 0 8 -3,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.647 78.1 64.5 -58.1 -14.8 15.2 -14.4 11.5 25 25 A G H 3> S+ 0 0 0 -15,-0.8 4,-1.0 -3,-0.4 -1,-0.3 0.868 102.4 46.5 -74.6 -38.0 15.2 -17.4 9.1 26 26 A F H <> S+ 0 0 24 -3,-1.4 4,-0.9 -16,-0.8 -2,-0.2 0.864 113.8 49.2 -66.3 -42.1 17.3 -15.4 6.6 27 27 A V H X S+ 0 0 48 -4,-1.6 4,-1.2 2,-0.2 3,-0.4 0.902 109.4 48.8 -68.9 -44.6 19.6 -14.2 9.3 28 28 A V H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.764 110.3 53.6 -69.3 -24.5 20.3 -17.6 10.9 29 29 A A H X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.726 103.2 57.5 -78.5 -25.0 21.0 -19.0 7.4 30 30 A D H X S+ 0 0 71 -4,-0.9 4,-1.3 -3,-0.4 -2,-0.2 0.801 109.7 43.7 -74.8 -30.4 23.6 -16.2 6.9 31 31 A L H X S+ 0 0 38 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.691 109.4 56.5 -85.3 -24.0 25.5 -17.3 9.9 32 32 A L H X S+ 0 0 2 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.948 111.9 43.6 -70.5 -48.0 25.3 -20.9 9.0 33 33 A A H <>S+ 0 0 4 -4,-1.8 5,-4.8 2,-0.2 4,-0.3 0.848 115.3 45.5 -61.8 -38.9 26.9 -20.2 5.7 34 34 A A H ><5S+ 0 0 73 -4,-1.3 3,-1.8 3,-0.2 -2,-0.2 0.973 113.7 51.8 -68.4 -54.3 29.6 -17.9 7.0 35 35 A R H 3<5S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.820 115.5 39.8 -45.5 -45.8 30.4 -20.3 9.8 36 36 A L T 3<5S- 0 0 44 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.380 117.1-111.3 -90.2 0.5 30.7 -23.3 7.3 37 37 A G T < 5 + 0 0 69 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.902 66.8 149.5 68.9 43.7 32.5 -21.1 4.8 38 38 A A < - 0 0 19 -5,-4.8 2,-0.4 -6,-0.1 -1,-0.2 -0.758 35.3-145.5-110.6 154.6 29.7 -21.2 2.2 39 39 A K - 0 0 164 13,-0.3 2,-0.5 -2,-0.3 13,-0.4 -0.965 12.8-129.5-123.3 137.1 28.6 -18.6 -0.4 40 40 A F + 0 0 43 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.717 29.9 179.4 -85.3 123.5 25.1 -17.7 -1.7 41 41 A K E -C 50 0A 44 9,-2.7 9,-1.2 -2,-0.5 7,-0.0 -0.993 42.5 -94.8-131.4 130.5 24.8 -17.7 -5.4 42 42 A A E -C 49 0A 67 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.077 36.7-152.9 -35.5 130.7 21.7 -17.0 -7.5 43 43 A H >> - 0 0 15 5,-2.2 4,-1.7 1,-0.1 3,-0.5 -0.854 12.2-170.1-118.2 88.9 20.3 -20.5 -8.1 44 44 A K T 34 S+ 0 0 135 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.738 70.6 65.4 -50.9 -37.6 18.6 -19.8 -11.4 45 45 A R T 34 S+ 0 0 174 1,-0.2 -1,-0.2 -3,-0.1 34,-0.0 0.916 115.8 24.1 -59.1 -53.1 16.6 -23.1 -11.7 46 46 A S T <4 S- 0 0 14 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.684 105.8-122.1 -86.6 -21.5 14.3 -22.7 -8.6 47 47 A G S < S+ 0 0 24 -4,-1.7 -3,-0.2 1,-0.4 19,-0.1 0.233 82.2 95.5 97.9 -12.7 14.6 -18.9 -8.7 48 48 A A S S- 0 0 0 -5,-0.4 -5,-2.2 27,-0.3 -1,-0.4 -0.312 77.1-103.1 -95.8-177.6 15.9 -18.8 -5.1 49 49 A E E -CD 42 64A 37 15,-1.3 15,-0.8 -7,-0.2 2,-0.3 -0.638 33.0-153.8-106.6 172.4 19.6 -18.6 -4.1 50 50 A V E -CD 41 63A 11 -9,-1.2 -9,-2.7 -2,-0.2 2,-0.3 -0.977 18.6-172.4-150.2 155.1 21.9 -21.2 -2.7 51 51 A A E - D 0 62A 0 11,-1.3 11,-3.4 -2,-0.3 2,-0.4 -0.981 17.0-150.2-144.6 136.1 25.0 -22.1 -0.6 52 52 A T E + D 0 61A 88 -13,-0.4 -13,-0.3 -2,-0.3 9,-0.2 -0.904 32.4 135.3-110.5 138.1 26.7 -25.5 -0.3 53 53 A G E - D 0 60A 18 7,-2.6 7,-0.7 -2,-0.4 2,-0.3 -0.481 40.0-120.0-144.4-141.3 28.5 -26.6 2.8 54 54 A R E - D 0 59A 163 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.863 15.9-173.8-175.3 142.8 28.9 -29.6 5.1 55 55 A S E > S- D 0 58A 19 3,-2.7 3,-0.7 -2,-0.3 -2,-0.0 -0.835 77.1 -7.9-153.3 109.8 28.3 -30.1 8.8 56 56 A A T 3 S- 0 0 72 -2,-0.3 3,-0.1 1,-0.2 119,-0.0 0.513 125.7 -59.5 81.6 8.2 29.2 -33.3 10.6 57 57 A G T 3 S+ 0 0 58 1,-0.4 2,-0.4 0, 0.0 -1,-0.2 -0.049 114.4 114.7 109.1 -27.9 30.1 -35.1 7.4 58 58 A R E < - D 0 55A 52 -3,-0.7 -3,-2.7 119,-0.1 -1,-0.4 -0.633 65.1-134.9 -77.5 126.3 26.5 -34.6 6.1 59 59 A S E - D 0 54A 36 -2,-0.4 -54,-1.7 -56,-0.4 2,-0.3 -0.556 26.5-168.8 -80.6 148.8 26.6 -32.3 3.1 60 60 A L E -aD 5 53A 0 -7,-0.7 -7,-2.6 -56,-0.2 2,-0.5 -0.999 22.8-150.6-147.5 143.4 24.0 -29.5 2.9 61 61 A V E -aD 6 52A 6 -56,-2.7 -54,-2.5 -2,-0.3 2,-0.5 -0.952 19.0-155.8-111.0 124.9 22.4 -26.9 0.6 62 62 A L E -aD 7 51A 0 -11,-3.4 -11,-1.3 -2,-0.5 2,-0.4 -0.893 11.1-167.2-107.3 126.5 21.2 -23.8 2.2 63 63 A A E -aD 8 50A 0 -56,-2.7 -54,-2.7 -2,-0.5 -13,-0.2 -0.907 17.1-172.3-119.2 143.3 18.5 -21.8 0.5 64 64 A K E - D 0 49A 26 -15,-0.8 -15,-1.3 -2,-0.4 -54,-0.1 -0.954 34.4-123.0-131.1 105.3 17.1 -18.3 1.0 65 65 A P - 0 0 1 0, 0.0 -17,-0.1 0, 0.0 -54,-0.1 -0.309 10.9-153.4 -54.0 120.6 14.0 -17.6 -1.2 66 66 A R S S+ 0 0 111 -19,-0.1 2,-0.3 -2,-0.1 -18,-0.1 0.089 77.3 67.9 -84.5 21.4 14.4 -14.5 -3.4 67 67 A C S S- 0 0 27 -56,-0.2 -56,-0.2 5,-0.1 2,-0.1 -0.883 96.5 -82.9-133.3 164.3 10.7 -14.0 -3.5 68 68 A Y > - 0 0 118 -2,-0.3 3,-2.4 -56,-0.1 4,-0.4 -0.359 48.4 -89.8 -77.4 143.0 8.3 -13.0 -0.7 69 69 A M T 3 S+ 0 0 0 1,-0.3 51,-0.3 2,-0.2 4,-0.2 0.306 115.7 48.4 -18.5 -35.6 6.8 -15.2 2.0 70 70 A N T 3 S+ 0 0 100 -2,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.698 118.9 46.5 -86.3 -24.4 3.4 -16.6 0.9 71 71 A E S X S+ 0 0 94 -3,-2.4 3,-2.0 1,-0.2 4,-0.3 0.426 81.1 106.5 -97.1 -0.0 5.2 -17.5 -2.4 72 72 A S T >> S+ 0 0 0 -4,-0.4 3,-1.1 1,-0.3 4,-0.7 0.783 73.9 56.4 -46.2 -39.3 8.2 -19.1 -0.6 73 73 A G H 3> S+ 0 0 1 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.599 89.3 73.1 -76.2 -11.6 7.2 -22.7 -1.4 74 74 A R H <4 S+ 0 0 168 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.633 106.7 37.6 -76.2 -13.1 7.1 -22.1 -5.1 75 75 A Q H <> S+ 0 0 9 -3,-1.1 4,-0.7 -4,-0.3 -27,-0.3 0.594 116.1 51.1-107.3 -20.3 10.9 -22.0 -5.1 76 76 A I H X S+ 0 0 0 -4,-0.7 4,-1.2 2,-0.2 5,-0.2 0.670 103.0 58.5 -94.9 -20.1 11.6 -24.7 -2.5 77 77 A G H >X S+ 0 0 16 -4,-1.5 4,-1.7 2,-0.2 3,-0.8 0.989 115.1 35.6 -67.4 -61.2 9.4 -27.3 -4.1 78 78 A P H 34 S+ 0 0 67 0, 0.0 4,-0.5 0, 0.0 -2,-0.2 0.825 114.4 62.1 -59.5 -33.4 11.4 -27.2 -7.4 79 79 A L H 3< S+ 0 0 0 -4,-0.7 4,-0.4 2,-0.1 -2,-0.2 0.790 110.0 35.4 -65.3 -33.2 14.5 -26.6 -5.3 80 80 A A H XX>S+ 0 0 1 -4,-1.2 5,-2.0 -3,-0.8 4,-1.4 0.932 111.9 53.4 -87.9 -54.4 14.4 -29.9 -3.4 81 81 A K T 3<5S+ 0 0 91 -4,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.543 114.7 48.2 -59.8 -6.8 13.0 -32.5 -5.9 82 82 A F T 345S+ 0 0 83 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.631 111.6 46.9-101.6 -30.0 15.8 -31.2 -8.1 83 83 A Y T <45S- 0 0 64 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.491 114.4-120.1 -87.3 -4.8 18.4 -31.6 -5.3 84 84 A S T <5 + 0 0 109 -4,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.682 58.8 158.2 71.4 21.7 16.9 -35.0 -4.7 85 85 A V < - 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