==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-NOV-09 3KK0 . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS STR. MC2 155; . AUTHOR A.KUMAR,N.SINGH,R.YADAV,S.SHARMA,A.ARORA,T.P.SINGH . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 9.4 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 . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 26.7 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 2 0 0 1 1 0 1 1 0 0 0 0 0 0 1 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 . 0 0 1 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 0 195 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.1 31.7 -12.6 -23.5 2 2 A A - 0 0 100 1,-0.1 57,-0.0 0, 0.0 0, 0.0 0.285 360.0 -97.0 -71.1 13.3 31.0 -8.9 -23.3 3 3 A E - 0 0 108 80,-0.1 -1,-0.1 2,-0.0 81,-0.1 0.995 53.3-140.1 62.4 85.4 29.6 -9.0 -19.3 4 4 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 56,-0.2 0.386 0.5-111.4 -59.3-176.9 25.5 -9.1 -19.5 5 5 A L E -a 60 0A 39 54,-0.7 56,-1.4 80,-0.1 2,-0.4 -0.888 17.4-146.1-122.4 154.3 22.5 -7.6 -17.7 6 6 A L E -ab 61 90A 15 83,-1.4 85,-1.7 -2,-0.3 2,-0.4 -0.969 9.7-166.7-129.8 119.8 19.8 -9.3 -15.5 7 7 A V E -ab 62 91A 21 54,-1.4 56,-1.4 -2,-0.4 2,-0.3 -0.855 10.2-169.2-106.4 138.9 16.0 -8.2 -15.3 8 8 A V E -ab 63 92A 19 83,-1.8 85,-1.7 -2,-0.4 2,-0.4 -0.974 12.6-162.3-136.3 142.6 13.5 -9.4 -12.5 9 9 A G E - b 0 93A 5 54,-1.2 2,-0.3 -2,-0.3 85,-0.1 -0.960 16.3-137.5-123.5 136.7 9.7 -9.4 -11.7 10 10 A L + 0 0 17 83,-1.1 15,-0.5 -2,-0.4 16,-0.4 -0.706 38.3 104.9-100.6 141.2 7.9 -9.9 -8.3 11 11 A G - 0 0 10 -2,-0.3 56,-0.3 14,-0.2 12,-0.1 -0.989 52.8 -82.6 179.7-177.2 4.8 -11.9 -7.2 12 12 A N - 0 0 38 -2,-0.3 5,-0.1 5,-0.1 56,-0.1 -0.908 39.4-112.4-116.6 141.4 3.0 -14.9 -5.6 13 13 A P + 0 0 68 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.325 63.4 37.9 -67.5 140.4 2.2 -18.6 -6.9 14 14 A G S > S- 0 0 48 1,-0.1 4,-0.8 2,-0.1 3,-0.5 -0.178 83.0 -80.6 108.0 165.4 -1.2 -20.1 -7.8 15 15 A P T 4 S+ 0 0 122 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.824 116.6 69.3 -67.9 -42.3 -4.8 -19.6 -9.2 16 16 A T T 4 S+ 0 0 118 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.785 110.6 29.1 -49.1 -33.4 -5.9 -18.0 -5.9 17 17 A Y T >4 S+ 0 0 90 -3,-0.5 3,-1.4 1,-0.1 -1,-0.2 0.529 80.7 118.0-110.2 -7.8 -3.7 -14.9 -6.4 18 18 A A T 3< S+ 0 0 58 -4,-0.8 -1,-0.1 -3,-0.3 -2,-0.1 0.631 85.1 28.3 -30.3 -38.2 -3.5 -14.5 -10.2 19 19 A K T 3 S+ 0 0 149 -4,-0.3 135,-0.4 -3,-0.2 -1,-0.2 -0.211 84.3 119.2-132.2 52.3 -5.2 -11.1 -10.4 20 20 A T S X S- 0 0 10 -3,-1.4 3,-1.4 133,-0.1 133,-0.2 -0.588 75.0-103.0-103.6 170.5 -4.7 -9.0 -7.2 21 21 A R G > S+ 0 0 19 131,-1.1 3,-1.0 129,-0.3 130,-0.1 0.847 117.0 62.8 -62.4 -33.4 -3.0 -5.6 -7.0 22 22 A H G 3 S+ 0 0 23 128,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.426 92.9 65.4 -73.5 -0.6 0.2 -7.2 -5.5 23 23 A N G X> + 0 0 10 -3,-1.4 3,-1.6 1,-0.1 4,-0.9 0.294 60.2 111.7-107.3 11.8 0.9 -9.2 -8.7 24 24 A L H <> S+ 0 0 27 -3,-1.0 4,-1.3 1,-0.3 3,-0.3 0.799 70.5 65.2 -53.3 -34.1 1.5 -6.5 -11.3 25 25 A G H 3> S+ 0 0 5 -15,-0.5 4,-0.6 -3,-0.2 -1,-0.3 0.761 98.8 52.8 -61.3 -28.3 5.2 -7.4 -11.6 26 26 A F H <> S+ 0 0 38 -3,-1.6 4,-1.1 -16,-0.4 -1,-0.2 0.823 103.2 58.1 -75.1 -36.7 4.3 -10.8 -13.1 27 27 A M H X S+ 0 0 58 -4,-0.9 4,-0.8 -3,-0.3 3,-0.3 0.883 101.6 51.4 -64.7 -43.3 2.1 -9.3 -15.9 28 28 A V H X S+ 0 0 8 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.795 106.7 57.8 -66.6 -26.2 4.7 -7.1 -17.6 29 29 A A H X S+ 0 0 10 -4,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.820 96.4 57.9 -75.7 -33.9 7.1 -10.1 -17.8 30 30 A D H X S+ 0 0 91 -4,-1.1 4,-0.6 -3,-0.3 -1,-0.2 0.798 107.6 51.5 -66.8 -26.9 4.8 -12.4 -19.8 31 31 A V H >X S+ 0 0 48 -4,-0.8 3,-0.7 2,-0.2 4,-0.7 0.907 103.4 54.1 -75.6 -45.5 4.7 -9.7 -22.5 32 32 A L H >< S+ 0 0 13 -4,-1.3 3,-0.9 1,-0.2 4,-0.3 0.858 105.4 55.7 -58.2 -35.2 8.4 -9.1 -22.9 33 33 A A H >X S+ 0 0 11 -4,-1.3 4,-2.3 1,-0.3 3,-0.8 0.793 101.0 57.9 -68.9 -28.3 9.0 -12.9 -23.6 34 34 A G H << S+ 0 0 66 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.655 100.1 57.6 -75.3 -15.9 6.5 -12.8 -26.4 35 35 A R T << S+ 0 0 103 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.496 112.9 41.5 -90.0 -6.2 8.6 -10.1 -28.1 36 36 A I T <4 S- 0 0 55 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.833 106.6-119.1-104.1 -55.0 11.6 -12.5 -28.1 37 37 A G < + 0 0 69 -4,-2.3 2,-0.1 1,-0.3 -3,-0.1 -0.127 66.3 72.7 149.3 -51.9 10.1 -16.1 -29.0 38 38 A S - 0 0 76 14,-0.1 -1,-0.3 1,-0.1 2,-0.2 -0.395 63.5-111.8-102.4 174.5 10.3 -19.0 -26.6 39 39 A A - 0 0 85 1,-0.1 -1,-0.1 -2,-0.1 11,-0.1 -0.518 38.2 -87.1-101.4 167.3 8.8 -20.3 -23.3 40 40 A F + 0 0 41 -2,-0.2 2,-0.3 11,-0.1 11,-0.1 -0.211 36.2 179.5 -73.8 162.3 10.2 -20.7 -19.8 41 41 A K E -C 50 0A 170 9,-0.8 9,-1.9 7,-0.0 2,-0.2 -0.953 32.3 -93.2-161.6 146.0 12.0 -23.7 -18.1 42 42 A V E -C 49 0A 80 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.402 21.3-139.7 -72.2 132.7 13.6 -24.4 -14.7 43 43 A H E >>> -C 48 0A 36 5,-3.0 4,-3.2 -2,-0.2 3,-1.3 -0.808 16.9-158.1 -92.0 104.5 17.2 -23.9 -13.7 44 44 A K T 345S+ 0 0 190 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.656 80.9 58.3 -60.6 -28.9 18.2 -26.9 -11.6 45 45 A K T 345S+ 0 0 181 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.275 126.6 16.9 -92.2 16.4 21.2 -25.6 -9.6 46 46 A S T <45S- 0 0 32 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.381 100.7-120.9-145.8 -45.5 19.1 -22.8 -8.0 47 47 A G T <5 + 0 0 27 -4,-3.2 2,-0.2 1,-0.3 -3,-0.2 0.740 64.6 107.1 105.3 28.8 15.5 -23.6 -8.6 48 48 A A E < -C 43 0A 7 -5,-0.7 -5,-3.0 27,-0.1 2,-0.4 -0.724 67.2 -90.5-128.9 179.9 13.8 -20.8 -10.6 49 49 A E E +CD 42 64A 54 15,-1.5 15,-1.4 -7,-0.2 2,-0.3 -0.763 44.2 178.9 -98.8 135.5 12.4 -20.1 -14.1 50 50 A V E -CD 41 63A 25 -9,-1.9 -9,-0.8 -2,-0.4 2,-0.3 -0.954 19.9-173.8-139.4 155.0 14.6 -18.6 -16.9 51 51 A V E - D 0 62A 9 11,-1.4 11,-2.1 -2,-0.3 2,-0.3 -0.980 15.1-158.8-145.8 133.9 14.7 -17.4 -20.7 52 52 A T E + D 0 61A 89 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.868 31.2 78.2-120.6 150.1 17.8 -16.2 -22.8 53 53 A G E - D 0 60A 35 7,-1.5 7,-1.3 -2,-0.3 2,-0.4 -0.875 62.1 -24.6 172.0-140.7 18.3 -14.0 -25.9 54 54 A R E + D 0 59A 166 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.962 44.6 162.7-123.7 136.4 18.5 -10.7 -27.9 55 55 A L E > - D 0 58A 35 3,-1.6 3,-1.3 -2,-0.4 -19,-0.0 -0.927 60.8 -20.7-160.8 130.9 17.0 -7.3 -27.1 56 56 A A T 3 S- 0 0 48 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.712 127.8 -39.6 45.9 30.6 17.3 -3.6 -28.0 57 57 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.566 117.4 57.8 103.7 8.2 20.9 -4.0 -29.2 58 58 A T E < S- D 0 55A 57 -3,-1.3 -3,-1.6 0, 0.0 2,-0.3 -0.997 83.9 -69.6-167.4 171.1 22.6 -6.5 -26.8 59 59 A T E - D 0 54A 69 -2,-0.3 -54,-0.7 -5,-0.2 2,-0.3 -0.497 54.5-179.3 -66.4 113.9 23.1 -9.7 -24.8 60 60 A V E -aD 5 53A 15 -7,-1.3 -7,-1.5 -2,-0.3 2,-0.4 -0.893 24.2-156.1-128.6 152.2 20.2 -10.3 -21.9 61 61 A V E -aD 6 52A 22 -56,-1.4 -54,-1.4 -2,-0.3 2,-0.3 -0.926 17.1-163.3-132.4 111.0 19.0 -12.8 -19.1 62 62 A L E +aD 7 51A 11 -11,-2.1 -11,-1.4 -2,-0.4 2,-0.3 -0.690 11.0 178.6 -98.4 144.1 15.3 -12.9 -17.8 63 63 A A E -aD 8 50A 7 -56,-1.4 -54,-1.2 -2,-0.3 -13,-0.2 -0.964 27.1-166.2-152.2 161.9 13.6 -14.4 -14.6 64 64 A K E - D 0 49A 29 -15,-1.4 -15,-1.5 -2,-0.3 -54,-0.1 -0.969 27.6-134.6-139.6 118.7 10.7 -15.3 -12.1 65 65 A P - 0 0 24 0, 0.0 -17,-0.1 0, 0.0 7,-0.1 -0.170 5.7-148.2 -69.1 165.7 11.1 -16.6 -8.4 66 66 A R + 0 0 146 -19,-0.1 2,-0.3 2,-0.1 -54,-0.1 -0.418 59.3 71.7-138.0 64.2 9.1 -19.5 -6.9 67 67 A I S S- 0 0 46 -56,-0.3 -56,-0.2 5,-0.0 2,-0.1 -0.971 87.2 -79.7-163.1 163.4 8.5 -18.9 -3.2 68 68 A S > - 0 0 64 -2,-0.3 3,-0.9 1,-0.1 -2,-0.1 -0.496 56.3-114.4 -68.1 145.1 6.4 -16.8 -0.7 69 69 A M G > S+ 0 0 9 1,-0.3 3,-3.1 2,-0.2 4,-0.1 0.765 106.5 65.9 -59.9 -43.4 8.2 -13.4 -0.5 70 70 A N G 3 S+ 0 0 121 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.479 115.0 44.4 -61.9 12.3 9.6 -13.0 3.1 71 71 A E G X S+ 0 0 80 -3,-0.9 3,-0.6 -4,-0.0 -1,-0.3 0.152 84.4 106.0-136.8 12.9 11.6 -15.9 1.8 72 72 A S T < + 0 0 5 -3,-3.1 4,-0.3 1,-0.2 3,-0.2 0.243 59.7 70.1 -87.2 14.0 12.5 -14.7 -1.8 73 73 A G T 3> S+ 0 0 8 1,-0.1 4,-1.6 2,-0.1 -1,-0.2 0.538 76.0 80.6-105.9 -5.7 16.3 -13.7 -1.7 74 74 A R T <4 S+ 0 0 210 -3,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.529 100.7 39.6 -76.4 -6.7 17.7 -17.2 -1.3 75 75 A Q T > S+ 0 0 39 -3,-0.2 4,-1.0 2,-0.1 -1,-0.2 0.608 111.6 55.3-113.0 -21.0 17.4 -17.8 -5.1 76 76 A V H > S+ 0 0 35 -4,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.808 103.5 54.9 -82.4 -31.9 18.4 -14.3 -6.3 77 77 A G H >X S+ 0 0 24 -4,-1.6 3,-0.7 2,-0.2 4,-0.6 0.968 109.3 43.7 -66.5 -55.7 21.8 -14.3 -4.6 78 78 A P H >> S+ 0 0 75 0, 0.0 4,-1.6 0, 0.0 3,-1.2 0.886 107.2 60.6 -57.0 -42.9 23.2 -17.5 -6.0 79 79 A L H 3X S+ 0 0 17 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.832 100.1 57.0 -55.4 -34.3 22.0 -16.8 -9.5 80 80 A A H <<>S+ 0 0 18 -4,-0.9 5,-2.0 -3,-0.7 4,-0.3 0.720 106.7 47.2 -72.6 -22.6 24.2 -13.6 -9.6 81 81 A K H <<5S+ 0 0 168 -3,-1.2 3,-0.5 -4,-0.6 -1,-0.2 0.820 98.5 67.7 -86.4 -35.5 27.4 -15.5 -8.9 82 82 A F H <5S+ 0 0 129 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.836 115.8 28.0 -53.4 -37.1 26.9 -18.2 -11.4 83 83 A Y T <5S- 0 0 95 -4,-0.8 -1,-0.2 2,-0.0 -2,-0.2 0.443 109.0-119.3-106.0 -3.1 27.3 -15.6 -14.3 84 84 A S T 5 + 0 0 82 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.917 46.0 175.4 66.7 52.8 29.6 -13.1 -12.4 85 85 A V < - 0 0 32 -5,-2.0 -1,-0.2 1,-0.0 -80,-0.1 -0.744 25.9-130.4-101.3 134.3 27.4 -9.9 -12.5 86 86 A P > - 0 0 41 0, 0.0 3,-1.1 0, 0.0 -1,-0.0 -0.283 23.3-118.2 -70.3 156.1 28.1 -6.5 -10.9 87 87 A P G > S+ 0 0 62 0, 0.0 3,-0.7 0, 0.0 -2,-0.0 0.709 108.1 63.4 -70.5 -21.5 25.4 -4.7 -8.7 88 88 A Q G 3 S+ 0 0 114 1,-0.2 42,-0.1 42,-0.1 -3,-0.0 0.416 95.6 60.7 -85.3 4.1 25.1 -1.6 -11.0 89 89 A Q G < S+ 0 0 77 -3,-1.1 -83,-1.4 2,-0.0 2,-0.4 -0.165 82.2 103.2-120.9 38.7 23.8 -3.8 -13.9 90 90 A I E < -b 6 0A 24 -3,-0.7 41,-1.3 -85,-0.2 2,-0.4 -0.978 47.8-168.5-123.7 134.0 20.6 -5.1 -12.1 91 91 A V E -be 7 131A 26 -85,-1.7 -83,-1.8 -2,-0.4 2,-0.3 -0.981 2.4-169.1-127.4 137.8 17.0 -3.8 -12.7 92 92 A V E -be 8 132A 17 39,-1.1 41,-1.9 -2,-0.4 2,-0.4 -0.976 8.4-152.4-133.5 137.1 13.7 -4.5 -10.7 93 93 A I E +be 9 133A 13 -85,-1.7 -83,-1.1 -2,-0.3 2,-0.2 -0.897 28.7 138.2-113.5 126.6 9.9 -3.9 -11.2 94 94 A H E - e 0 134A 12 39,-1.2 41,-1.1 -2,-0.4 2,-0.2 -0.893 45.3 -82.6-151.9 176.3 7.1 -3.4 -8.5 95 95 A D E - 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