==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-FEB-12 4DJJ . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.KUMAR,A.SINGH,N.SINGH,M.SINHA,S.SHARMA,A.ARORA,T.P.SINGH . 388 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 10.3 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 . 26 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 1 2 1 0 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 225 0, 0.0 2,-0.6 0, 0.0 179,-0.1 0.000 360.0 360.0 360.0 -34.0 29.8 31.1 -1.1 2 2 A T - 0 0 62 178,-0.3 2,-0.1 86,-0.1 0, 0.0 -0.925 360.0-139.0-114.1 113.2 27.3 29.2 -3.3 3 3 A A - 0 0 17 -2,-0.6 2,-0.5 1,-0.1 176,-0.2 -0.351 21.9-111.7 -69.0 144.3 23.6 30.0 -2.6 4 4 A V + 0 0 4 174,-1.6 86,-0.2 173,-0.2 3,-0.1 -0.670 38.1 170.5 -79.2 121.1 21.0 27.2 -2.7 5 5 A Q + 0 0 64 84,-2.3 56,-3.4 -2,-0.5 2,-0.4 0.618 63.0 38.5-105.3 -19.3 18.7 27.6 -5.7 6 6 A L E -ab 61 90A 0 83,-1.8 85,-2.7 54,-0.2 2,-0.5 -0.962 55.5-168.8-143.5 124.7 16.8 24.3 -5.5 7 7 A I E -ab 62 91A 1 54,-3.0 56,-2.6 -2,-0.4 2,-0.5 -0.935 14.6-166.6-109.5 125.5 15.5 22.2 -2.7 8 8 A V E -ab 63 92A 0 83,-3.4 85,-3.0 -2,-0.5 2,-0.6 -0.940 9.4-165.9-118.9 128.5 14.3 18.7 -3.6 9 9 A G E - b 0 93A 0 54,-2.5 85,-0.2 -2,-0.5 2,-0.2 -0.910 18.3-145.3-112.8 109.2 12.2 16.4 -1.4 10 10 A L + 0 0 0 83,-1.9 16,-1.8 -2,-0.6 15,-0.4 -0.436 36.5 125.9 -76.7 145.8 12.2 12.8 -2.6 11 11 A G - 0 0 3 14,-0.2 12,-0.1 -2,-0.2 7,-0.1 -0.968 53.5 -93.8-176.2 175.3 9.2 10.5 -2.2 12 12 A N - 0 0 19 -2,-0.3 8,-0.1 5,-0.3 2,-0.1 -0.865 39.3-122.1-108.0 144.2 6.8 8.2 -4.1 13 13 A P + 0 0 19 0, 0.0 3,-0.1 0, 0.0 56,-0.1 -0.443 64.0 54.8 -84.3 157.8 3.4 9.5 -5.5 14 14 A G S >> S- 0 0 23 1,-0.1 3,-1.2 -2,-0.1 4,-0.5 -0.082 87.4 -85.1 105.4 155.6 -0.1 8.1 -4.6 15 15 A P G >4 S+ 0 0 45 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.816 120.7 64.0 -65.6 -34.1 -2.1 7.5 -1.4 16 16 A E G 34 S+ 0 0 71 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.447 109.4 41.2 -71.5 -0.2 -0.5 4.1 -0.8 17 17 A Y G X4 S+ 0 0 51 -3,-1.2 3,-1.5 -5,-0.1 -5,-0.3 0.439 87.1 115.0-125.3 -6.9 2.8 5.8 -0.4 18 18 A D T << S+ 0 0 44 -3,-0.6 3,-0.1 -4,-0.5 4,-0.0 -0.369 82.4 10.5 -71.4 144.4 1.9 8.7 1.6 19 19 A Q T 3 S+ 0 0 96 1,-0.2 136,-0.4 4,-0.1 -1,-0.3 0.584 98.2 134.0 66.0 10.2 3.1 9.1 5.2 20 20 A T S X S- 0 0 8 -3,-1.5 3,-1.2 134,-0.1 134,-0.2 -0.364 72.2-106.0 -85.1 170.0 5.5 6.2 4.6 21 21 A R G > S+ 0 0 32 132,-1.9 3,-1.1 129,-0.3 131,-0.2 0.795 116.0 63.7 -65.1 -28.7 9.2 6.1 5.5 22 22 A H G 3 S+ 0 0 28 129,-1.7 73,-0.3 1,-0.3 3,-0.3 0.657 96.0 60.6 -69.1 -17.0 10.3 6.5 1.9 23 23 A N G <> + 0 0 21 -3,-1.2 4,-2.0 -6,-0.2 -1,-0.3 -0.001 65.5 112.5-102.7 25.9 8.6 10.0 1.8 24 24 A A H <> S+ 0 0 1 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.918 78.0 50.8 -66.5 -42.5 10.6 11.7 4.5 25 25 A G H > S+ 0 0 0 -15,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.929 111.7 47.8 -58.8 -45.7 12.3 14.1 2.1 26 26 A A H > S+ 0 0 7 -16,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.865 109.2 53.9 -63.6 -38.0 9.1 15.0 0.6 27 27 A L H X S+ 0 0 32 -4,-2.0 4,-2.3 -17,-0.3 -1,-0.2 0.909 107.0 51.7 -64.1 -42.2 7.5 15.6 4.0 28 28 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 3,-0.3 0.971 113.1 43.6 -58.2 -54.8 10.4 17.9 4.9 29 29 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.911 112.2 54.5 -57.9 -40.2 9.9 20.0 1.8 30 30 A E H X S+ 0 0 62 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.859 113.5 41.6 -60.4 -37.0 6.1 19.9 2.4 31 31 A R H X S+ 0 0 104 -4,-2.3 4,-1.7 -3,-0.3 -1,-0.2 0.823 113.4 52.6 -80.1 -33.6 6.6 21.3 5.8 32 32 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.897 109.4 50.3 -67.1 -39.7 9.2 23.8 4.6 33 33 A A H <>S+ 0 0 4 -4,-3.0 5,-2.9 -5,-0.2 4,-0.3 0.805 110.2 49.4 -68.4 -31.7 6.8 25.0 2.0 34 34 A H H <5S+ 0 0 155 -4,-1.0 3,-0.3 -5,-0.2 -1,-0.2 0.815 107.3 53.7 -77.9 -31.8 4.0 25.4 4.5 35 35 A A H <5S+ 0 0 69 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.886 114.5 42.6 -67.7 -36.5 6.2 27.4 6.9 36 36 A Q T <5S- 0 0 86 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.444 109.4-121.2 -87.2 -6.1 7.0 29.8 4.1 37 37 A G T 5 + 0 0 71 -3,-0.3 2,-0.4 -4,-0.3 -3,-0.2 0.950 58.7 155.8 61.0 47.7 3.5 30.0 2.7 38 38 A V < - 0 0 22 -5,-2.9 2,-0.5 -6,-0.1 -1,-0.2 -0.876 38.3-131.4-107.8 138.9 4.7 28.7 -0.7 39 39 A S - 0 0 71 -2,-0.4 2,-0.9 13,-0.2 13,-0.3 -0.797 7.9-139.2 -98.4 131.9 2.3 27.0 -3.1 40 40 A L - 0 0 18 -2,-0.5 197,-3.7 197,-0.4 2,-0.4 -0.773 23.5-160.5 -90.2 106.9 3.2 23.7 -4.7 41 41 A V E -CD 50 236A 39 9,-3.2 9,-3.1 -2,-0.9 2,-0.7 -0.747 17.4-126.4 -93.6 130.1 2.0 24.0 -8.3 42 42 A A E +C 49 0A 34 193,-3.4 2,-0.5 -2,-0.4 193,-0.5 -0.653 35.1 177.5 -75.9 112.7 1.5 20.8 -10.4 43 43 A D E >>> -C 48 0A 41 5,-2.2 3,-2.0 -2,-0.7 5,-0.9 -0.892 25.6-163.8-127.7 106.0 3.5 21.3 -13.6 44 44 A R G >45S+ 0 0 128 -2,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.757 86.2 73.0 -55.3 -23.8 3.7 18.6 -16.3 45 45 A K G 345S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.739 109.9 27.1 -62.9 -28.8 6.8 20.3 -17.8 46 46 A Y G <45S- 0 0 18 -3,-2.0 -1,-0.2 2,-0.2 33,-0.2 0.275 107.3-116.7-119.7 6.8 9.0 19.3 -14.9 47 47 A F T <<5S+ 0 0 75 -3,-0.6 19,-2.9 -4,-0.5 20,-0.6 0.910 81.8 36.1 59.3 49.2 7.2 16.1 -13.8 48 48 A G E S- E 0 58A 64 3,-1.9 3,-0.8 -2,-0.2 -2,-0.0 -0.783 74.0 -11.5-156.1 104.8 15.7 35.0 -0.7 56 56 A Q T 3 S- 0 0 135 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.939 125.2 -54.8 68.3 49.1 18.4 37.7 -1.2 57 57 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.334 117.1 101.2 71.3 -8.4 17.4 38.8 -4.7 58 58 A K E < S- E 0 55A 102 -3,-0.8 -3,-1.9 -5,-0.0 2,-0.6 -0.797 75.5-113.5-110.6 152.9 17.5 35.2 -6.1 59 59 A D E - E 0 54A 66 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.742 26.5-163.3 -87.7 118.7 14.8 32.7 -6.9 60 60 A V E - E 0 53A 5 -7,-2.7 -7,-2.1 -2,-0.6 2,-0.3 -0.880 11.2-155.2-100.6 125.3 14.8 29.6 -4.7 61 61 A R E -aE 6 52A 33 -56,-3.4 -54,-3.0 -2,-0.5 2,-0.4 -0.808 7.8-154.0-109.0 147.1 12.8 26.7 -6.0 62 62 A L E -aE 7 51A 0 -11,-3.1 -11,-2.2 -2,-0.3 2,-0.4 -0.931 16.7-173.5-113.4 135.5 11.1 23.7 -4.2 63 63 A L E +aE 8 50A 0 -56,-2.6 -54,-2.5 -2,-0.4 -13,-0.2 -0.984 22.7 177.9-139.9 135.8 10.5 20.4 -6.0 64 64 A I E - E 0 49A 19 -15,-1.8 -15,-3.1 -2,-0.4 -54,-0.1 -0.977 33.1-136.6-127.1 112.7 8.7 17.1 -5.3 65 65 A P E - E 0 48A 4 0, 0.0 -17,-0.3 0, 0.0 -54,-0.1 -0.411 12.0-161.9 -71.2 145.7 8.9 14.8 -8.3 66 66 A T + 0 0 58 -19,-2.9 -18,-0.2 -2,-0.1 2,-0.1 0.217 66.8 90.2-113.4 15.3 5.8 13.0 -9.3 67 67 A T S S- 0 0 15 -20,-0.6 2,-0.1 1,-0.3 5,-0.1 -0.117 99.7 -71.6 -83.7-165.9 7.5 10.4 -11.4 68 68 A Y > - 0 0 61 -56,-0.1 3,-1.5 1,-0.1 -1,-0.3 -0.422 46.6-101.3 -86.5 170.2 8.5 7.3 -9.5 69 69 A M G > S+ 0 0 6 1,-0.3 3,-0.9 2,-0.2 51,-0.2 0.877 123.0 51.2 -56.2 -39.0 11.3 7.4 -6.9 70 70 A N G 3 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.417 111.2 45.6 -83.3 1.8 13.7 5.7 -9.5 71 71 A R G X> S+ 0 0 145 -3,-1.5 3,-0.9 2,-0.1 4,-0.7 0.156 77.9 112.9-124.0 13.8 12.9 8.2 -12.3 72 72 A S H X> + 0 0 1 -3,-0.9 4,-2.2 -4,-0.2 3,-0.9 0.823 63.4 68.0 -55.0 -39.6 13.3 11.3 -10.2 73 73 A G H 3> S+ 0 0 0 1,-0.3 4,-4.2 44,-0.2 5,-0.4 0.889 91.3 63.0 -50.4 -43.1 16.4 12.5 -11.9 74 74 A Q H <> S+ 0 0 75 -3,-0.9 4,-1.3 1,-0.2 -1,-0.3 0.889 107.7 41.9 -47.0 -48.3 14.3 13.1 -15.0 75 75 A S H S+ 0 0 5 -4,-2.8 5,-1.7 -5,-0.2 4,-0.4 0.900 112.9 53.5 -61.4 -39.3 17.9 22.3 -13.4 81 81 A G H ><5S+ 0 0 46 -4,-1.7 3,-0.9 -5,-0.3 -1,-0.2 0.924 108.9 44.8 -61.2 -51.8 18.2 22.2 -17.2 82 82 A F H 3<5S+ 0 0 116 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 122.4 38.1 -62.1 -40.1 15.7 24.9 -18.0 83 83 A F T 3<5S- 0 0 64 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.278 105.7-124.2 -97.2 11.3 16.9 27.2 -15.3 84 84 A R T < 5 + 0 0 214 -3,-0.9 2,-0.5 -4,-0.4 -3,-0.2 0.939 45.3 173.6 42.2 70.6 20.6 26.5 -15.8 85 85 A I < - 0 0 17 -5,-1.7 -1,-0.2 -6,-0.0 -2,-0.1 -0.919 30.0-127.2-111.5 127.9 21.3 25.5 -12.1 86 86 A A > - 0 0 48 -2,-0.5 3,-2.6 1,-0.1 -81,-0.2 -0.539 21.0-122.0 -76.6 137.5 24.6 24.1 -11.0 87 87 A P G > S+ 0 0 25 0, 0.0 3,-1.1 0, 0.0 45,-0.4 0.742 111.4 61.5 -44.4 -31.2 24.5 20.8 -9.1 88 88 A D G 3 S+ 0 0 61 1,-0.3 -86,-0.1 43,-0.2 -2,-0.1 0.295 94.3 61.5 -87.9 8.7 26.2 22.4 -6.1 89 89 A A G < S+ 0 0 2 -3,-2.6 -84,-2.3 -85,-0.1 -83,-1.8 0.012 91.9 94.3-115.3 21.5 23.3 24.8 -5.7 90 90 A I E < -b 6 0A 2 -3,-1.1 42,-2.9 -85,-0.2 2,-0.5 -0.959 52.7-169.2-124.6 131.5 21.0 21.9 -5.1 91 91 A L E -bf 7 132A 0 -85,-2.7 -83,-3.4 -2,-0.4 2,-0.6 -0.977 6.0-165.1-120.5 125.8 19.9 20.3 -1.8 92 92 A V E -bf 8 133A 1 40,-2.8 42,-1.1 -2,-0.5 2,-0.3 -0.930 5.6-155.9-117.9 112.4 18.1 17.0 -1.8 93 93 A A E +bf 9 134A 0 -85,-3.0 -83,-1.9 -2,-0.6 2,-0.3 -0.662 29.1 155.6 -83.8 137.8 16.3 15.9 1.4 94 94 A H E - f 0 135A 4 40,-2.4 42,-2.7 -2,-0.3 2,-0.2 -0.981 45.8 -83.9-157.6 166.5 15.8 12.1 1.7 95 95 A D E - f 0 136A 5 -73,-0.3 2,-0.5 -2,-0.3 42,-0.2 -0.554 38.6-156.3 -76.2 138.6 15.3 9.2 4.0 96 96 A E E > - f 0 137A 26 40,-2.7 42,-2.1 -2,-0.2 43,-0.8 -0.964 14.1-169.8-124.8 115.7 18.4 7.8 5.6 97 97 A L T 3 S+ 0 0 39 -2,-0.5 -1,-0.1 1,-0.2 40,-0.0 0.794 80.3 69.2 -69.3 -30.1 18.6 4.2 6.8 98 98 A D T 3 S+ 0 0 126 41,-0.1 -1,-0.2 40,-0.1 42,-0.1 0.577 95.8 53.1 -72.3 -12.4 21.9 4.5 8.5 99 99 A M S < S- 0 0 16 -3,-0.7 40,-2.2 40,-0.1 39,-0.7 -0.941 86.9-113.3-121.1 148.9 20.8 6.8 11.3 100 100 A P > - 0 0 77 0, 0.0 3,-0.9 0, 0.0 37,-0.2 -0.286 46.1 -73.8 -79.8 166.3 17.9 6.2 13.7 101 101 A P T 3 S+ 0 0 25 0, 0.0 37,-0.2 0, 0.0 62,-0.1 -0.253 118.8 37.7 -55.5 136.1 14.6 8.2 14.0 102 102 A G T 3 S+ 0 0 1 35,-0.6 2,-0.4 1,-0.3 92,-0.3 0.566 96.7 102.2 97.5 9.1 15.1 11.6 15.6 103 103 A V < + 0 0 48 -3,-0.9 34,-2.6 34,-0.2 2,-0.3 -0.992 42.4 176.3-131.2 134.2 18.5 12.2 13.9 104 104 A A E +G 136 0A 11 -2,-0.4 2,-0.3 88,-0.2 32,-0.2 -0.999 4.3 172.5-138.2 139.5 19.3 14.5 10.9 105 105 A K E -G 135 0A 83 30,-1.8 30,-2.9 -2,-0.3 2,-0.3 -0.931 23.4-124.4-142.9 166.0 22.6 15.4 9.2 106 106 A L E +G 134 0A 10 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.820 24.3 176.2-113.0 153.0 24.1 17.1 6.2 107 107 A K E -G 133 0A 82 26,-1.0 26,-2.2 -2,-0.3 2,-0.5 -0.971 20.9-144.3-156.9 139.2 26.5 15.9 3.6 108 108 A T E -G 132 0A 72 -2,-0.3 24,-0.2 24,-0.2 23,-0.1 -0.912 66.9 -29.8-108.3 127.1 28.1 17.1 0.4 109 109 A G S S+ 0 0 10 22,-2.6 2,-0.2 -2,-0.5 21,-0.2 0.122 77.8 119.8 57.8-178.1 28.7 14.6 -2.4 110 110 A G - 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