==== 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 09-AUG-11 3TCN . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.SELVARAJ,R.AHMAD,U.VARSHNEY,M.VIJAYAN . 371 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 5 0 0 0 1 0 3 1 1 1 0 0 0 0 2 0 0 0 0 0 0 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 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.7 13.8 4.0 5.7 2 2 A A + 0 0 95 57,-0.1 56,-0.0 2,-0.1 57,-0.0 -0.087 360.0 108.6-163.7 -20.2 16.9 4.9 3.7 3 3 A E S S- 0 0 85 1,-0.1 56,-0.3 55,-0.0 82,-0.1 -0.486 76.8-122.3 -67.9 129.4 18.0 1.4 4.7 4 4 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 82,-0.3 -0.428 22.9-134.3 -75.0 154.9 18.0 -0.9 1.7 5 5 A L E -a 60 0A 5 54,-2.3 56,-1.9 80,-0.1 2,-0.6 -0.919 8.2-154.6-114.5 137.7 15.9 -4.0 1.9 6 6 A L E -ab 61 90A 0 83,-2.3 85,-3.6 -2,-0.4 2,-0.6 -0.916 10.3-171.3-114.3 106.6 16.9 -7.5 0.9 7 7 A V E -ab 62 91A 1 54,-2.5 56,-2.0 -2,-0.6 2,-0.5 -0.864 8.0-169.6 -98.3 122.6 14.0 -9.8 -0.1 8 8 A V E -ab 63 92A 0 83,-3.8 85,-2.9 -2,-0.6 2,-0.5 -0.953 11.9-159.8-121.1 123.2 15.1 -13.4 -0.6 9 9 A G E - b 0 93A 0 54,-2.1 2,-0.2 -2,-0.5 85,-0.1 -0.855 18.3-144.6 -98.2 127.5 12.9 -16.2 -2.0 10 10 A L + 0 0 0 83,-1.9 16,-1.1 -2,-0.5 15,-0.6 -0.609 40.7 109.0 -92.4 153.3 14.1 -19.6 -1.1 11 11 A G - 0 0 0 -2,-0.2 12,-0.2 14,-0.2 7,-0.1 -0.970 62.3 -77.3 168.8-176.0 13.9 -22.7 -3.4 12 12 A N - 0 0 12 -2,-0.3 56,-0.1 5,-0.2 5,-0.1 -0.931 41.8-122.2-113.6 136.0 15.9 -25.1 -5.5 13 13 A P + 0 0 29 0, 0.0 56,-0.1 0, 0.0 3,-0.1 -0.354 68.1 64.4 -71.2 155.7 17.3 -24.2 -8.9 14 14 A G S >> S- 0 0 27 1,-0.1 3,-2.0 2,-0.1 4,-0.8 0.146 86.0 -93.6 106.1 139.5 16.3 -26.3 -11.9 15 15 A A G >4 S+ 0 0 15 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.839 116.3 66.8 -53.3 -39.8 13.2 -27.1 -13.9 16 16 A N G 34 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.629 110.0 36.1 -60.8 -11.8 12.5 -30.2 -11.8 17 17 A Y G X4 S+ 0 0 64 -3,-2.0 3,-1.6 -5,-0.1 -1,-0.2 0.515 84.0 99.8-118.0 -8.5 11.8 -28.1 -8.7 18 18 A A T << S+ 0 0 29 -4,-0.8 -2,-0.1 -3,-0.8 9,-0.1 0.779 94.0 36.6 -49.0 -34.3 10.1 -25.0 -10.1 19 19 A R T 3 S+ 0 0 80 -4,-0.4 135,-0.8 132,-0.1 -1,-0.3 0.444 92.3 113.3-101.8 -2.0 6.7 -26.3 -9.1 20 20 A T B X S-G 153 0B 3 -3,-1.6 3,-2.1 133,-0.2 133,-0.2 -0.296 77.7-113.1 -72.9 157.9 7.5 -28.1 -5.8 21 21 A R G > S+ 0 0 10 131,-1.7 3,-1.2 128,-0.4 130,-0.2 0.831 115.1 61.6 -55.5 -36.5 6.3 -26.9 -2.4 22 22 A H G 3 S+ 0 0 6 128,-2.7 -1,-0.3 1,-0.2 3,-0.2 0.463 97.5 60.5 -72.3 -2.3 9.8 -26.0 -1.4 23 23 A N G X> + 0 0 3 -3,-2.1 4,-2.0 127,-0.2 3,-0.9 0.361 62.6 108.7-109.1 7.3 10.0 -23.4 -4.2 24 24 A L H <> S+ 0 0 5 -3,-1.2 4,-2.7 1,-0.3 5,-0.2 0.855 77.5 60.2 -49.1 -38.4 7.2 -21.0 -3.3 25 25 A G H 3> S+ 0 0 0 -15,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.897 104.6 47.2 -57.2 -45.0 9.8 -18.5 -2.4 26 26 A F H <> S+ 0 0 19 -16,-1.1 4,-2.3 -3,-0.9 -1,-0.2 0.915 111.3 53.0 -61.2 -45.2 11.2 -18.5 -5.9 27 27 A V H X S+ 0 0 45 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.910 111.1 44.8 -56.9 -47.6 7.7 -18.1 -7.3 28 28 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.875 111.6 52.4 -67.1 -38.0 6.9 -15.1 -5.1 29 29 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.886 107.0 54.3 -65.0 -37.2 10.3 -13.5 -5.9 30 30 A D H X S+ 0 0 25 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.878 109.5 47.4 -62.9 -38.7 9.5 -14.0 -9.6 31 31 A L H X S+ 0 0 18 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.917 110.8 50.5 -68.1 -46.0 6.2 -12.2 -9.1 32 32 A L H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.844 110.7 49.5 -61.7 -35.8 7.7 -9.3 -7.2 33 33 A A H X>S+ 0 0 5 -4,-2.0 5,-2.3 2,-0.2 4,-0.9 0.903 111.3 49.4 -70.8 -41.1 10.4 -8.9 -9.9 34 34 A A H ><5S+ 0 0 40 -4,-1.8 3,-0.9 2,-0.2 -2,-0.2 0.938 110.6 49.2 -63.1 -46.5 7.7 -8.8 -12.6 35 35 A R H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.913 113.4 48.2 -59.2 -40.8 5.6 -6.2 -10.7 36 36 A L H 3<5S- 0 0 45 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.631 106.9-130.1 -74.3 -13.5 8.8 -4.2 -10.3 37 37 A G T <<5 + 0 0 47 -3,-0.9 2,-0.4 -4,-0.9 -3,-0.2 0.767 66.8 130.3 68.6 23.1 9.6 -4.6 -14.0 38 38 A A < - 0 0 15 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.877 46.4-145.3-112.3 143.7 13.0 -5.6 -12.9 39 39 A K - 0 0 38 -2,-0.4 13,-0.3 -3,-0.1 2,-0.2 -0.706 16.4-107.2-110.2 161.7 14.9 -8.7 -14.1 40 40 A F + 0 0 26 -2,-0.3 2,-0.3 11,-0.1 11,-0.2 -0.567 32.2 178.2 -86.8 145.5 17.3 -11.1 -12.5 41 41 A K E -C 50 0A 81 9,-1.8 9,-3.1 -2,-0.2 2,-0.1 -0.995 38.7 -95.0-145.4 145.6 21.0 -11.4 -13.2 42 42 A A E -C 49 0A 92 -2,-0.3 2,-0.8 7,-0.3 7,-0.2 -0.374 36.5-141.2 -60.3 129.5 23.8 -13.5 -11.8 43 43 A H >> - 0 0 26 5,-2.5 4,-2.4 1,-0.1 3,-1.8 -0.871 4.1-154.0-101.4 111.2 25.6 -11.7 -9.0 44 44 A K T 34 S+ 0 0 186 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.785 89.8 52.4 -50.5 -36.1 29.3 -12.3 -9.2 45 45 A R T 34 S+ 0 0 157 1,-0.1 -1,-0.3 -3,-0.1 37,-0.1 0.236 122.9 20.9 -93.3 16.6 29.9 -11.8 -5.5 46 46 A S T <4 S- 0 0 19 -3,-1.8 -2,-0.2 2,-0.2 -1,-0.1 0.497 87.9-123.6-146.5 -40.0 27.3 -14.1 -4.1 47 47 A G S < S+ 0 0 34 -4,-2.4 19,-0.4 1,-0.5 2,-0.1 0.244 78.1 104.3 104.4 -12.8 26.3 -16.8 -6.5 48 48 A A S S- 0 0 2 27,-0.3 -5,-2.5 -5,-0.2 -1,-0.5 -0.469 75.4-110.8 -93.8 168.8 22.6 -15.9 -6.3 49 49 A E E -CD 42 64A 47 15,-1.9 15,-2.0 -7,-0.2 2,-0.3 -0.851 37.1-161.9-103.1 142.9 20.7 -14.0 -9.0 50 50 A V E -CD 41 63A 4 -9,-3.1 -9,-1.8 -2,-0.4 2,-0.3 -0.902 19.5-178.0-129.2 155.0 19.5 -10.5 -8.2 51 51 A A E - D 0 62A 0 11,-2.3 11,-2.9 -2,-0.3 2,-0.3 -0.968 16.8-152.2-142.7 147.8 17.1 -7.8 -9.4 52 52 A T E + D 0 61A 70 -2,-0.3 2,-0.3 -13,-0.3 9,-0.2 -0.914 26.9 126.9-127.5 154.9 16.7 -4.4 -8.0 53 53 A G E - D 0 60A 21 7,-2.3 7,-3.9 -2,-0.3 2,-0.3 -0.965 46.0 -79.0-176.2-169.2 13.8 -1.9 -7.8 54 54 A R E + D 0 59A 156 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.917 31.8 167.9-120.8 145.5 11.6 0.4 -5.7 55 55 A S E > S- D 0 58A 21 3,-2.1 3,-2.5 -2,-0.3 -2,-0.0 -0.938 75.4 -5.3-155.3 127.4 8.6 -0.3 -3.4 56 56 A A T 3 S- 0 0 58 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.831 128.5 -59.8 55.9 33.1 7.0 2.2 -0.9 57 57 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.607 113.3 129.2 71.2 9.8 9.8 4.6 -1.8 58 58 A R E < - D 0 55A 39 -3,-2.5 -3,-2.1 -54,-0.0 2,-0.5 -0.760 66.3-116.1-101.5 145.2 12.1 2.0 -0.5 59 59 A S E - D 0 54A 48 -2,-0.3 -54,-2.3 -56,-0.3 2,-0.4 -0.668 39.5-158.0 -78.8 122.9 15.2 0.6 -2.3 60 60 A L E -aD 5 53A 2 -7,-3.9 -7,-2.3 -2,-0.5 2,-0.5 -0.868 21.6-174.0-114.3 142.1 14.7 -3.0 -3.0 61 61 A V E -aD 6 52A 3 -56,-1.9 -54,-2.5 -2,-0.4 2,-0.4 -0.966 10.9-169.1-130.7 111.9 17.0 -6.0 -3.8 62 62 A L E +aD 7 51A 0 -11,-2.9 -11,-2.3 -2,-0.5 2,-0.3 -0.850 12.9 174.9-102.5 137.6 15.3 -9.3 -4.7 63 63 A A E -aD 8 50A 1 -56,-2.0 -54,-2.1 -2,-0.4 -13,-0.2 -0.994 23.7-164.1-147.1 151.4 17.4 -12.4 -4.9 64 64 A K E - D 0 49A 6 -15,-2.0 -15,-1.9 -2,-0.3 -54,-0.1 -0.955 31.8-120.3-136.0 112.4 17.1 -16.2 -5.4 65 65 A P - 0 0 0 0, 0.0 -17,-0.2 0, 0.0 7,-0.1 -0.220 11.8-158.3 -51.7 136.2 20.0 -18.5 -4.4 66 66 A R S S+ 0 0 53 -19,-0.4 2,-0.2 6,-0.1 -18,-0.1 0.402 74.4 85.6 -94.4 -2.5 21.4 -20.5 -7.4 67 67 A C S S- 0 0 20 1,-0.1 -56,-0.1 4,-0.1 2,-0.0 -0.461 96.4 -89.6 -89.1 168.0 22.7 -22.9 -4.9 68 68 A Y > - 0 0 117 -2,-0.2 3,-2.0 -56,-0.1 4,-0.2 -0.334 50.7 -88.2 -76.4 164.8 20.5 -25.7 -3.6 69 69 A M G > S+ 0 0 3 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.790 123.5 54.6 -42.1 -47.0 18.3 -25.1 -0.5 70 70 A N G 3 S+ 0 0 94 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.707 110.0 47.9 -66.0 -19.9 20.9 -26.2 2.2 71 71 A E G <> S+ 0 0 75 -3,-2.0 4,-0.6 1,-0.1 3,-0.5 0.246 79.7 107.9-103.0 10.5 23.5 -23.7 0.8 72 72 A S H X> S+ 0 0 0 -3,-1.6 3,-1.8 -4,-0.2 4,-1.0 0.921 73.1 55.1 -52.9 -52.9 21.0 -20.8 0.7 73 73 A G H 3> S+ 0 0 0 -4,-0.3 4,-2.0 44,-0.3 3,-0.5 0.813 98.2 62.3 -53.5 -35.9 22.4 -18.9 3.6 74 74 A R H 34 S+ 0 0 173 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.711 105.5 46.7 -67.9 -18.5 25.9 -18.8 2.1 75 75 A Q H S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.824 112.4 50.4 -61.5 -35.6 27.6 -11.9 0.8 79 79 A L H X S+ 0 0 2 -4,-0.8 4,-2.1 2,-0.2 5,-0.2 0.918 106.7 54.4 -69.7 -43.6 24.6 -10.1 -0.8 80 80 A A H <>S+ 0 0 10 -4,-2.7 5,-2.6 1,-0.2 4,-0.4 0.910 112.7 44.4 -55.5 -42.9 23.7 -8.4 2.4 81 81 A K H ><5S+ 0 0 167 -4,-1.8 3,-1.3 3,-0.2 -2,-0.2 0.961 107.9 55.3 -67.9 -52.1 27.3 -7.1 2.6 82 82 A F H 3<5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 123.3 29.5 -48.6 -39.7 27.5 -6.0 -1.0 83 83 A Y T 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.386 109.3-127.3-100.5 0.3 24.4 -3.9 -0.5 84 84 A S T < 5 + 0 0 86 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.969 47.3 165.5 46.2 69.3 25.1 -3.3 3.2 85 85 A V < - 0 0 12 -5,-2.6 -1,-0.2 -82,-0.1 -80,-0.1 -0.923 33.3-128.0-112.8 136.5 21.8 -4.5 4.4 86 86 A A > - 0 0 41 -2,-0.4 3,-1.9 -82,-0.3 -80,-0.2 -0.546 23.8-113.5 -83.5 153.3 21.2 -5.3 8.1 87 87 A P G > S+ 0 0 52 0, 0.0 3,-2.3 0, 0.0 44,-0.6 0.887 116.4 61.2 -49.6 -44.6 19.7 -8.7 9.1 88 88 A A G 3 S+ 0 0 48 1,-0.3 43,-0.1 42,-0.2 42,-0.1 0.728 104.5 49.0 -57.4 -24.9 16.6 -7.0 10.4 89 89 A N G < S+ 0 0 28 -3,-1.9 -83,-2.3 41,-0.1 2,-0.5 0.174 87.5 102.7-102.6 16.9 15.9 -5.6 6.9 90 90 A I E < -b 6 0A 1 -3,-2.3 41,-2.3 -85,-0.2 2,-0.6 -0.885 57.0-161.0 -99.4 125.8 16.4 -9.0 5.2 91 91 A I E -be 7 131A 1 -85,-3.6 -83,-3.8 -2,-0.5 2,-0.5 -0.942 3.0-164.4-114.4 116.8 13.0 -10.5 4.2 92 92 A V E -be 8 132A 0 39,-3.1 41,-2.7 -2,-0.6 2,-0.5 -0.877 4.0-157.0-104.8 124.4 12.9 -14.3 3.6 93 93 A I E +be 9 133A 0 -85,-2.9 -83,-1.9 -2,-0.5 2,-0.3 -0.837 27.7 156.1 -98.5 131.2 10.0 -15.8 1.8 94 94 A H E - e 0 134A 1 39,-2.3 41,-2.9 -2,-0.5 2,-0.2 -0.997 46.3-102.2-156.1 159.0 9.4 -19.5 2.4 95 95 A D E - e 0 135A 2 -2,-0.3 2,-0.5 39,-0.2 41,-0.2 -0.523 39.7-150.5 -75.8 145.9 7.0 -22.5 2.5 96 96 A D E > - 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