==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-06 2IN2 . COMPND 2 MOLECULE: PICORNAIN 3C; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS 14; . AUTHOR T.C.BJORNDAHL,V.SEMENCHENKO,D.S.WISHART . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 86.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 44.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 3.8 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 . 42 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 6.6 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 3 1 3 2 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 1 0 0 1 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 G > 0 0 56 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-120.3 6.4 -19.4 6.1 2 2 A P H > + 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.765 360.0 61.0 -67.9 -24.0 4.5 -17.5 8.9 3 3 A N H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 151,-0.1 0.889 102.9 49.6 -66.9 -39.3 4.7 -14.5 6.7 4 4 A T H > S+ 0 0 39 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.915 112.0 46.6 -67.9 -44.5 2.7 -16.3 4.0 5 5 A E H X S+ 0 0 123 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.872 111.8 52.0 -68.5 -36.3 -0.0 -17.5 6.4 6 6 A F H X S+ 0 0 42 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.917 106.2 54.9 -63.2 -42.7 -0.2 -13.9 7.9 7 7 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.870 108.0 48.4 -59.3 -39.5 -0.7 -12.6 4.4 8 8 A L H X S+ 0 0 52 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.847 113.5 47.4 -70.0 -32.8 -3.6 -14.9 3.8 9 9 A S H X S+ 0 0 64 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.880 113.0 47.0 -76.9 -37.3 -5.1 -13.8 7.1 10 10 A L H X>S+ 0 0 6 -4,-3.0 4,-3.0 2,-0.2 5,-0.8 0.849 106.8 63.0 -68.4 -34.5 -4.5 -10.1 6.4 11 11 A L H X5S+ 0 0 25 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.945 108.0 37.7 -54.1 -55.7 -6.1 -10.8 2.9 12 12 A R H <5S+ 0 0 192 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.683 122.5 48.9 -73.0 -17.5 -9.5 -11.8 4.3 13 13 A K H <5S- 0 0 117 -4,-0.8 -2,-0.2 -5,-0.1 71,-0.2 0.962 131.8 -5.4 -90.2 -61.7 -9.2 -9.2 6.9 14 14 A N H <5S+ 0 0 0 -4,-3.0 15,-2.9 69,-0.1 2,-0.4 0.272 104.8 95.6-125.0 9.3 -8.2 -5.8 5.4 15 15 A I E << +A 28 0A 17 -4,-1.2 2,-0.3 -5,-0.8 13,-0.2 -0.879 39.8 154.3-110.8 134.7 -7.5 -6.5 1.8 16 16 A M E -A 27 0A 18 11,-1.8 11,-2.7 -2,-0.4 2,-0.5 -0.953 44.7 -97.1-146.7 167.4 -9.9 -6.0 -1.1 17 17 A T E -A 26 0A 13 -2,-0.3 33,-2.9 9,-0.2 2,-0.5 -0.771 33.4-163.5 -92.5 126.0 -9.8 -5.3 -4.8 18 18 A I E -AB 25 49A 1 7,-2.8 7,-2.5 -2,-0.5 2,-1.1 -0.946 13.6-141.9-113.6 123.2 -10.2 -1.7 -5.8 19 19 A T E +AB 24 48A 31 29,-3.0 29,-1.0 -2,-0.5 5,-0.3 -0.722 35.4 164.9 -85.0 98.6 -11.1 -0.8 -9.4 20 20 A T - 0 0 14 3,-3.0 22,-0.2 -2,-1.1 21,-0.0 -0.334 55.2 -88.6 -99.9-170.3 -9.1 2.3 -10.2 21 21 A S S S+ 0 0 85 21,-2.0 21,-0.2 20,-1.1 3,-0.1 0.860 128.7 48.9 -71.5 -34.0 -8.3 3.9 -13.6 22 22 A K S S- 0 0 115 19,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.783 127.1 -84.8 -75.6 -26.0 -5.1 1.8 -13.9 23 23 A G - 0 0 23 18,-0.3 -3,-3.0 -5,-0.1 2,-1.0 -0.936 61.7 -39.1 150.1-171.3 -7.0 -1.3 -13.1 24 24 A E E S+A 19 0A 56 -2,-0.3 82,-2.0 -5,-0.3 83,-0.4 -0.776 71.2 161.1 -91.8 104.2 -8.3 -3.5 -10.2 25 25 A F E -A 18 0A 25 -7,-2.5 -7,-2.8 -2,-1.0 2,-0.4 -0.348 41.4 -69.3-114.0-169.7 -5.5 -3.4 -7.6 26 26 A T E -A 17 0A 1 120,-0.8 2,-0.5 -9,-0.2 -9,-0.2 -0.703 36.9-166.4 -92.1 128.9 -5.0 -4.1 -4.0 27 27 A G E -A 16 0A 0 -11,-2.7 -11,-1.8 -2,-0.4 2,-0.6 -0.976 8.1-153.6-113.9 127.2 -6.4 -1.9 -1.4 28 28 A L E -AC 15 36A 0 8,-1.5 8,-1.8 -2,-0.5 2,-0.4 -0.895 7.7-143.7-103.5 122.8 -5.2 -2.2 2.2 29 29 A G E - C 0 35A 0 -15,-2.9 6,-0.3 -2,-0.6 57,-0.2 -0.700 15.3-175.9 -79.7 137.2 -7.5 -1.2 5.0 30 30 A I E - 0 0 0 4,-3.7 56,-2.5 1,-0.4 57,-0.4 0.864 61.1 -32.7 -97.7 -55.9 -5.7 0.4 7.8 31 31 A H E > S- C 0 34A 27 3,-1.1 3,-3.1 54,-0.2 2,-0.6 -0.957 107.4 -14.4-164.1 150.6 -8.4 0.9 10.4 32 32 A D B 3 S-G 83 0B 60 51,-1.8 51,-2.6 -2,-0.3 -3,-0.0 -0.312 130.4 -28.5 58.3 -98.7 -12.1 1.7 10.5 33 33 A R T 3 S+ 0 0 71 -2,-0.6 44,-2.7 49,-0.2 2,-0.6 0.202 106.6 121.8-129.0 9.3 -12.8 2.8 7.0 34 34 A V E < +CD 31 76A 18 -3,-3.1 -4,-3.7 42,-0.3 -3,-1.1 -0.668 35.2 168.2 -83.4 118.6 -9.4 4.2 6.3 35 35 A C E -CD 29 75A 1 40,-3.6 40,-2.9 -2,-0.6 2,-0.4 -0.759 23.0-138.8-123.5 169.8 -7.8 2.5 3.3 36 36 A V E +CD 28 74A 0 -8,-1.8 -8,-1.5 -2,-0.3 38,-0.2 -0.992 23.1 163.0-138.1 141.1 -4.7 3.3 1.3 37 37 A I E - D 0 73A 0 36,-2.7 36,-2.1 -2,-0.4 -10,-0.1 -0.964 41.5 -93.2-151.2 150.6 -4.0 3.1 -2.5 38 38 A P E - D 0 72A 0 0, 0.0 34,-0.3 0, 0.0 4,-0.2 -0.355 30.0-130.7 -65.1 159.9 -1.3 4.6 -4.9 39 39 A T S > S+ 0 0 33 32,-1.1 3,-2.5 1,-0.2 33,-0.1 0.934 99.5 55.0 -82.0 -48.5 -1.9 8.0 -6.6 40 40 A H T 3 S+ 0 0 68 1,-0.3 -1,-0.2 31,-0.1 32,-0.0 0.583 93.7 73.4 -66.9 -8.5 -1.1 7.3 -10.4 41 41 A A T 3 S- 0 0 0 -3,-0.1 -19,-2.1 -20,-0.1 -20,-1.1 0.757 102.3-139.6 -71.4 -23.3 -3.6 4.4 -10.2 42 42 A Q < - 0 0 112 -3,-2.5 -21,-2.0 -21,-0.2 2,-0.4 0.993 19.2-161.4 58.9 84.0 -6.2 7.3 -10.2 43 43 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.788 13.8-135.7 -88.5 136.3 -8.9 6.4 -7.7 44 44 A G - 0 0 40 -2,-0.4 3,-0.1 2,-0.2 -2,-0.0 -0.168 26.2-101.3 -83.3-176.8 -12.1 8.4 -8.2 45 45 A D S S+ 0 0 77 1,-0.2 11,-3.2 10,-0.1 2,-0.4 0.726 121.7 30.7 -75.0 -25.4 -14.4 10.1 -5.6 46 46 A D E S+ E 0 55A 88 9,-0.3 2,-0.3 31,-0.0 9,-0.3 -0.987 85.9 174.7-129.5 138.4 -16.5 7.1 -6.1 47 47 A V E - E 0 54A 7 7,-2.9 7,-2.7 -2,-0.4 2,-0.7 -0.862 35.0-101.9-141.9 167.3 -14.9 3.9 -6.9 48 48 A L E -BE 19 53A 55 -29,-1.0 -29,-3.0 -2,-0.3 2,-0.8 -0.884 26.7-165.2-100.9 114.3 -15.7 0.2 -7.4 49 49 A V E > S-BE 18 52A 7 3,-3.0 3,-2.0 -2,-0.7 -31,-0.2 -0.893 85.6 -19.0 -98.2 109.5 -14.7 -1.9 -4.4 50 50 A N T 3 S- 0 0 90 -33,-2.9 -1,-0.2 -2,-0.8 -32,-0.1 0.728 130.6 -54.0 61.8 23.8 -14.8 -5.5 -5.7 51 51 A G T 3 S+ 0 0 43 1,-0.3 2,-0.4 -34,-0.3 -1,-0.3 0.208 114.1 122.8 97.8 -13.7 -16.9 -4.2 -8.6 52 52 A Q E < -E 49 0A 105 -3,-2.0 -3,-3.0 1,-0.1 -1,-0.3 -0.677 68.1-117.7 -85.2 128.2 -19.4 -2.6 -6.2 53 53 A K E +E 48 0A 173 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.486 45.0 166.7 -65.3 128.9 -19.9 1.2 -6.5 54 54 A I E -E 47 0A 15 -7,-2.7 -7,-2.9 -2,-0.2 2,-0.3 -0.987 28.5-129.3-144.5 150.2 -18.9 2.9 -3.4 55 55 A R E -E 46 0A 175 -2,-0.3 23,-2.3 23,-0.3 2,-0.5 -0.766 17.8-126.2-105.6 148.0 -18.3 6.5 -2.5 56 56 A V E -F 77 0A 10 -11,-3.2 21,-0.2 -2,-0.3 3,-0.2 -0.814 15.4-168.0 -94.3 129.9 -15.2 7.9 -0.8 57 57 A K E S+ 0 0 105 19,-2.9 2,-0.4 -2,-0.5 -1,-0.2 0.945 76.2 14.6 -79.9 -53.2 -15.9 10.0 2.3 58 58 A D E -F 76 0A 71 18,-1.2 18,-3.3 2,-0.0 2,-0.5 -0.988 65.1-167.2-132.7 133.7 -12.4 11.4 2.8 59 59 A K E -F 75 0A 106 -2,-0.4 2,-0.7 16,-0.2 16,-0.2 -0.963 2.7-174.5-128.8 110.4 -9.7 11.5 0.3 60 60 A Y E -F 74 0A 123 14,-3.5 14,-2.7 -2,-0.5 2,-1.1 -0.889 11.8-158.5-111.3 99.3 -6.2 12.4 1.4 61 61 A K E -F 73 0A 161 -2,-0.7 2,-0.9 12,-0.2 12,-0.2 -0.715 24.3-152.6 -75.6 102.4 -3.8 12.6 -1.5 62 62 A L E +F 72 0A 36 10,-1.5 10,-1.2 -2,-1.1 8,-0.3 -0.741 37.5 128.1 -97.3 105.0 -0.7 12.2 0.5 63 63 A V E - 0 0 50 -2,-0.9 6,-0.2 7,-0.2 68,-0.1 -0.775 67.7 -72.6-134.4-179.9 2.4 13.7 -0.8 64 64 A D E >> -F 68 0A 21 4,-3.2 3,-1.8 -2,-0.3 4,-0.6 -0.660 45.9-118.0 -79.9 137.3 5.0 16.0 0.8 65 65 A P T 34 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.783 113.6 64.1 -42.0 -34.7 3.6 19.6 1.2 66 66 A E T 34 S- 0 0 155 1,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.118 126.5 -98.2 -84.1 22.1 6.4 20.8 -1.2 67 67 A N T <4 S+ 0 0 132 -3,-1.8 2,-0.4 1,-0.3 -1,-0.1 0.622 76.4 147.5 71.4 18.1 4.9 18.7 -4.1 68 68 A I E < - F 0 64A 27 -4,-0.6 -4,-3.2 1,-0.1 2,-0.3 -0.691 51.6-113.5 -84.9 132.9 7.3 15.9 -3.5 69 69 A N E +h 131 0C 50 61,-2.7 63,-1.8 -2,-0.4 -6,-0.1 -0.510 42.9 165.7 -80.9 126.2 5.6 12.6 -4.4 70 70 A L E - 0 0 3 -8,-0.3 -1,-0.2 -2,-0.3 -7,-0.2 0.477 41.9-143.7 -99.1 -15.7 4.9 10.0 -1.8 71 71 A E E + 0 0 31 1,-0.2 -32,-1.1 -3,-0.1 2,-0.4 0.737 57.9 124.9 60.9 30.2 2.7 8.5 -4.5 72 72 A L E -DF 38 62A 0 -10,-1.2 -10,-1.5 -34,-0.3 2,-0.4 -0.868 43.0-169.5-124.9 144.2 0.3 7.5 -1.7 73 73 A T E -DF 37 61A 7 -36,-2.1 -36,-2.7 -2,-0.4 2,-0.5 -0.976 5.9-160.8-137.5 122.5 -3.4 8.2 -1.2 74 74 A V E -DF 36 60A 8 -14,-2.7 -14,-3.5 -2,-0.4 2,-0.4 -0.880 18.5-179.6-101.7 131.2 -5.2 7.5 2.0 75 75 A L E -DF 35 59A 6 -40,-2.9 -40,-3.6 -2,-0.5 2,-0.8 -0.993 29.9-139.5-139.4 140.9 -9.0 7.3 1.7 76 76 A T E -DF 34 58A 14 -18,-3.3 -19,-2.9 -2,-0.4 -18,-1.2 -0.890 28.8-155.7 -97.4 107.5 -11.8 6.8 4.0 77 77 A L E - 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