==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-12 4ERX . 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) . 17745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 75.0 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 . 29 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 0 2 2 0 2 2 0 1 3 0 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 0 216 0, 0.0 2,-0.5 0, 0.0 180,-0.1 0.000 360.0 360.0 360.0 -59.0 -30.0 30.4 -6.1 2 2 A T - 0 0 54 178,-0.4 2,-0.2 86,-0.1 3,-0.0 -0.960 360.0-135.6-118.4 120.5 -27.2 29.1 -3.9 3 3 A A - 0 0 22 -2,-0.5 2,-0.2 1,-0.1 176,-0.2 -0.493 26.0-111.1 -74.2 138.0 -23.6 29.9 -4.7 4 4 A V + 0 0 4 174,-1.0 86,-0.2 173,-0.5 85,-0.1 -0.486 37.1 172.7 -67.0 130.6 -21.1 27.1 -4.5 5 5 A Q + 0 0 62 84,-3.1 56,-3.0 1,-0.3 2,-0.4 0.549 63.0 38.4-113.7 -17.5 -18.7 27.5 -1.6 6 6 A L E -ab 61 90A 0 83,-2.0 85,-2.7 54,-0.2 2,-0.5 -0.993 54.5-171.1-141.8 133.6 -16.8 24.2 -1.7 7 7 A I E -ab 62 91A 1 54,-2.7 56,-2.3 -2,-0.4 2,-0.4 -0.993 13.8-164.2-123.3 125.3 -15.6 22.0 -4.4 8 8 A V E -ab 63 92A 0 83,-3.0 85,-3.4 -2,-0.5 2,-0.6 -0.912 8.6-159.9-114.1 136.6 -14.2 18.6 -3.5 9 9 A G E - b 0 93A 0 54,-3.2 2,-0.2 -2,-0.4 85,-0.2 -0.956 18.7-144.0-115.6 115.6 -12.1 16.3 -5.7 10 10 A L + 0 0 0 83,-1.9 16,-2.1 -2,-0.6 15,-0.3 -0.511 38.0 117.7 -82.5 144.5 -12.1 12.6 -4.6 11 11 A G - 0 0 2 -2,-0.2 12,-0.2 14,-0.2 56,-0.1 -0.973 57.1 -87.9 176.4 171.7 -9.1 10.3 -4.8 12 12 A N - 0 0 17 -2,-0.3 56,-0.1 5,-0.2 8,-0.1 -0.798 41.0-125.7-100.3 141.2 -6.6 8.1 -3.0 13 13 A P + 0 0 21 0, 0.0 3,-0.1 0, 0.0 56,-0.1 -0.465 62.9 55.7 -83.6 159.4 -3.4 9.5 -1.7 14 14 A G S >> S- 0 0 21 1,-0.1 3,-1.4 -2,-0.1 4,-0.9 0.027 87.9 -83.6 103.9 151.2 0.0 8.2 -2.5 15 15 A P T 34 S+ 0 0 43 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.831 120.9 62.3 -56.5 -37.3 2.2 7.4 -5.6 16 16 A E T 34 S+ 0 0 60 1,-0.2 -2,-0.1 -3,-0.1 -4,-0.0 0.675 112.1 35.2 -63.9 -24.5 0.6 4.0 -6.0 17 17 A Y T X4 S+ 0 0 53 -3,-1.4 3,-1.7 -5,-0.1 -1,-0.2 0.461 88.0 120.5-111.5 -9.8 -2.9 5.5 -6.6 18 18 A D T 3< S+ 0 0 43 -4,-0.9 3,-0.1 -3,-0.4 -7,-0.0 -0.360 83.7 9.6 -60.5 129.9 -1.7 8.6 -8.5 19 19 A Q T 3 S+ 0 0 76 1,-0.2 136,-0.4 4,-0.1 -1,-0.3 0.680 95.4 133.9 76.1 16.2 -3.2 8.7 -12.0 20 20 A T S X S- 0 0 7 -3,-1.7 3,-2.0 134,-0.2 -1,-0.2 -0.610 70.5-106.0 -96.0 162.1 -5.6 5.9 -11.5 21 21 A R G > S+ 0 0 29 132,-2.0 3,-1.4 129,-0.3 131,-0.2 0.842 116.1 64.1 -53.1 -40.3 -9.3 6.0 -12.5 22 22 A H G 3 S+ 0 0 25 129,-2.2 73,-0.3 1,-0.3 -1,-0.3 0.582 95.3 64.1 -62.9 -10.2 -10.6 6.4 -8.9 23 23 A N G <> + 0 0 20 -3,-2.0 4,-2.2 128,-0.2 -1,-0.3 0.102 64.8 112.1-103.2 21.7 -8.7 9.8 -8.8 24 24 A A H <> S+ 0 0 2 -3,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.934 77.0 49.5 -59.7 -50.9 -10.7 11.6 -11.5 25 25 A G H > S+ 0 0 0 -15,-0.3 4,-2.6 -3,-0.2 5,-0.3 0.941 111.3 49.4 -54.7 -49.7 -12.3 14.1 -9.1 26 26 A A H > S+ 0 0 6 -16,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.911 110.3 51.7 -57.1 -41.8 -9.0 15.0 -7.5 27 27 A L H X S+ 0 0 31 -4,-2.2 4,-2.4 -17,-0.3 -1,-0.2 0.935 108.3 52.0 -61.0 -44.2 -7.6 15.4 -11.0 28 28 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.972 112.1 44.2 -54.7 -58.4 -10.5 17.8 -11.9 29 29 A V H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.879 111.8 54.6 -56.2 -39.1 -9.9 20.0 -8.8 30 30 A E H X S+ 0 0 53 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.896 110.3 45.2 -62.4 -42.2 -6.2 19.9 -9.4 31 31 A R H X S+ 0 0 117 -4,-2.4 4,-2.3 -3,-0.3 -1,-0.2 0.863 113.2 51.7 -64.2 -39.5 -6.7 21.2 -12.9 32 32 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.939 108.3 50.5 -63.9 -48.3 -9.1 23.7 -11.6 33 33 A A H <>S+ 0 0 4 -4,-3.3 5,-3.0 1,-0.2 4,-0.5 0.890 111.9 47.5 -57.4 -43.8 -6.6 25.0 -8.9 34 34 A H H ><5S+ 0 0 164 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.943 109.7 52.2 -64.0 -48.2 -3.9 25.4 -11.6 35 35 A A H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 115.2 43.2 -57.8 -31.5 -6.3 27.2 -13.9 36 36 A Q T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.441 109.2-121.7 -93.3 -3.7 -7.1 29.6 -11.1 37 37 A G T < 5 + 0 0 68 -3,-1.4 2,-0.4 -4,-0.5 -3,-0.2 0.908 60.8 151.8 61.9 39.5 -3.6 30.0 -9.8 38 38 A V < - 0 0 19 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.877 40.9-134.9-105.2 134.9 -4.7 28.7 -6.4 39 39 A S - 0 0 75 -2,-0.4 2,-0.8 13,-0.2 13,-0.4 -0.727 10.2-137.5 -91.6 137.8 -2.2 26.9 -4.2 40 40 A L - 0 0 17 197,-0.4 197,-3.1 -2,-0.4 2,-0.4 -0.853 23.1-157.9 -97.5 110.8 -3.3 23.7 -2.5 41 41 A V E -CD 50 236A 35 9,-3.0 9,-2.9 -2,-0.8 2,-0.8 -0.720 18.3-122.2 -93.1 135.2 -2.0 23.8 1.1 42 42 A A E +C 49 0A 35 193,-3.3 2,-0.5 -2,-0.4 193,-0.4 -0.652 37.8 177.2 -76.6 111.5 -1.5 20.7 3.2 43 43 A D E > > -C 48 0A 35 5,-2.4 5,-1.6 -2,-0.8 3,-1.4 -0.943 24.6-166.0-124.8 113.6 -3.7 21.2 6.2 44 44 A R G > 5S+ 0 0 120 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.740 85.7 71.8 -66.5 -22.4 -3.9 18.4 8.8 45 45 A K G 3 5S+ 0 0 130 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.686 109.3 30.7 -67.7 -19.4 -6.9 20.2 10.3 46 46 A Y G < 5S- 0 0 14 -3,-1.4 -1,-0.2 2,-0.2 33,-0.2 0.227 108.5-119.1-122.6 10.7 -9.1 19.2 7.4 47 47 A F T < 5S+ 0 0 75 -3,-0.8 19,-2.4 -4,-0.2 20,-0.4 0.903 81.8 35.2 53.7 48.6 -7.3 15.9 6.5 48 48 A G E - E 0 58A 57 3,-2.6 3,-1.2 -2,-0.3 -2,-0.0 -0.862 70.0 -16.6-153.1 116.1 -15.7 34.9 -6.3 56 56 A Q T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.889 127.0 -48.8 56.6 47.1 -18.4 37.5 -6.0 57 57 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.446 120.8 100.9 75.7 0.6 -17.5 38.7 -2.5 58 58 A K E < S- E 0 55A 106 -3,-1.2 -3,-2.6 2,-0.0 2,-0.5 -0.848 72.6-118.4-121.8 155.3 -17.4 35.1 -1.2 59 59 A D E - E 0 54A 65 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.788 24.2-163.2 -93.1 123.0 -14.7 32.6 -0.5 60 60 A V E - E 0 53A 4 -7,-3.3 -7,-1.9 -2,-0.5 2,-0.4 -0.922 10.4-154.2-106.2 126.4 -14.7 29.4 -2.6 61 61 A R E -aE 6 52A 31 -56,-3.0 -54,-2.7 -2,-0.5 2,-0.4 -0.820 5.7-153.5-108.0 145.1 -12.7 26.5 -1.2 62 62 A L E -aE 7 51A 0 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.4 -0.889 16.9-172.8-109.3 140.7 -11.1 23.6 -3.0 63 63 A L E +aE 8 50A 0 -56,-2.3 -54,-3.2 -2,-0.4 -13,-0.2 -0.986 23.1 177.3-145.4 134.5 -10.4 20.3 -1.3 64 64 A I E - E 0 49A 15 -15,-1.9 -15,-3.2 -2,-0.4 -54,-0.1 -0.953 33.3-136.3-129.3 104.8 -8.7 17.0 -2.0 65 65 A P E - E 0 48A 3 0, 0.0 -17,-0.3 0, 0.0 -54,-0.1 -0.346 8.3-156.5 -63.3 142.6 -8.9 14.7 1.0 66 66 A T + 0 0 57 -19,-2.4 2,-0.2 -20,-0.1 -18,-0.2 0.060 67.0 97.1-108.8 19.3 -5.7 12.9 1.9 67 67 A T S S- 0 0 16 -20,-0.4 -56,-0.1 1,-0.2 5,-0.1 -0.485 93.7 -81.2 -87.4 171.3 -7.6 10.2 3.7 68 68 A Y > - 0 0 54 -2,-0.2 3,-2.1 -56,-0.1 -1,-0.2 -0.434 48.2-101.5 -72.8 158.0 -8.4 7.0 2.0 69 69 A M G > S+ 0 0 6 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.840 120.0 56.7 -45.9 -45.1 -11.4 7.2 -0.3 70 70 A N G 3 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.434 110.2 44.5 -73.5 2.0 -13.7 5.4 2.1 71 71 A R G X> S+ 0 0 143 -3,-2.1 3,-0.9 2,-0.1 4,-0.7 0.099 74.3 115.6-129.6 20.0 -13.0 8.0 4.9 72 72 A S H <> + 0 0 0 -3,-1.4 4,-2.4 1,-0.2 3,-0.2 0.725 64.9 70.0 -61.5 -27.2 -13.3 11.2 2.7 73 73 A G H 3> S+ 0 0 1 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.881 90.4 61.2 -59.9 -38.7 -16.4 12.3 4.7 74 74 A Q H <> S+ 0 0 72 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.916 108.2 44.4 -52.8 -45.5 -14.2 13.0 7.6 75 75 A S H X S+ 0 0 0 -4,-0.7 4,-1.9 -3,-0.2 -2,-0.2 0.971 117.4 42.4 -65.0 -55.7 -12.4 15.5 5.5 76 76 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.958 115.1 48.8 -58.3 -53.5 -15.4 17.1 4.0 77 77 A A H X S+ 0 0 27 -4,-3.6 4,-2.4 1,-0.2 5,-0.2 0.890 108.9 56.8 -53.9 -39.7 -17.4 17.3 7.2 78 78 A A H X S+ 0 0 30 -4,-1.8 4,-1.5 -5,-0.4 -1,-0.2 0.915 115.0 34.5 -59.5 -45.7 -14.4 18.8 8.9 79 79 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.929 118.5 49.4 -77.3 -47.6 -14.1 21.7 6.6 80 80 A A H X>S+ 0 0 4 -4,-3.0 5,-2.4 1,-0.2 4,-0.5 0.911 113.3 50.1 -57.8 -41.6 -17.8 22.3 5.9 81 81 A G H ><5S+ 0 0 47 -4,-2.4 3,-0.7 -5,-0.4 -1,-0.2 0.909 108.3 50.3 -64.0 -43.9 -18.4 22.2 9.7 82 82 A F H 3<5S+ 0 0 118 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.796 121.4 34.3 -66.3 -29.4 -15.6 24.7 10.5 83 83 A F H 3<5S- 0 0 66 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.281 106.5-121.3-109.1 7.5 -16.9 27.2 7.9 84 84 A R T <<5 + 0 0 206 -3,-0.7 2,-0.5 -4,-0.5 -3,-0.2 0.893 47.8 171.7 55.1 45.8 -20.6 26.4 8.3 85 85 A I < - 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f 0 136A 4 -2,-0.3 2,-0.5 -73,-0.3 42,-0.2 -0.441 37.2-152.7 -72.0 138.9 -15.4 9.1 -11.0 96 96 A E E > - f 0 137A 23 40,-2.6 42,-2.0 -2,-0.2 3,-1.0 -0.904 16.0-172.9-124.7 113.0 -18.4 7.6 -12.6 97 97 A L T 3 S+ 0 0 40 -2,-0.5 -1,-0.2 1,-0.2 40,-0.0 0.870 82.4 64.4 -65.3 -35.0 -18.6 4.0 -13.7 98 98 A D T 3 S+ 0 0 123 40,-0.1 -1,-0.2 41,-0.1 42,-0.1 0.486 98.3 58.5 -72.7 -5.0 -22.0 4.3 -15.4 99 99 A M S < S- 0 0 14 -3,-1.0 40,-2.4 40,-0.1 39,-0.8 -0.974 85.9-115.8-127.5 141.7 -20.8 6.7 -18.1 100 100 A P > - 0 0 76 0, 0.0 3,-1.4 0, 0.0 37,-0.3 -0.308 46.5 -77.9 -73.1 160.4 -17.9 6.1 -20.6 101 101 A P T 3 S+ 0 0 28 0, 0.0 37,-0.2 0, 0.0 62,-0.1 -0.301 118.5 38.1 -58.1 133.7 -14.7 8.1 -20.7 102 102 A G T 3 S+ 0 0 2 35,-0.6 2,-0.4 1,-0.3 92,-0.1 0.337 95.0 104.5 104.0 -5.4 -15.1 11.5 -22.4 103 103 A V < + 0 0 47 -3,-1.4 34,-3.0 34,-0.1 2,-0.4 -0.931 43.2 177.5-114.3 133.3 -18.5 12.0 -20.8 104 104 A A E +G 136 0A 10 -2,-0.4 2,-0.3 32,-0.2 32,-0.2 -0.999 4.9 174.8-134.5 134.0 -19.2 14.4 -17.9 105 105 A K E -G 135 0A 88 30,-2.2 30,-3.1 -2,-0.4 2,-0.3 -0.928 22.6-129.2-138.0 162.0 -22.5 15.2 -16.2 106 106 A L E +G 134 0A 10 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.832 25.2 174.7-110.5 150.0 -24.0 17.1 -13.3 107 107 A K E -G 133 0A 79 26,-1.7 26,-3.0 -2,-0.3 2,-0.5 -0.993 21.9-143.5-153.7 148.5 -26.4 15.8 -10.7 108 108 A T E -G 132 0A 70 -2,-0.3 24,-0.2 24,-0.2 23,-0.1 -0.958 64.9 -32.4-116.6 124.2 -28.1 17.0 -7.5 109 109 A G S S+ 0 0 12 22,-2.4 2,-0.3 -2,-0.5 21,-0.2 0.190 77.5 116.0 57.5 177.8 -28.7 14.6 -4.7 110 110 A G - 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