==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-10 2XYA . COMPND 2 MOLECULE: PICORNAIN 3C; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS SP.; . AUTHOR J.PETERSEN,K.EDMAN,F.EDFELDT,C.JOHANSSON . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 39.6 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 7.1 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 . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 2 3 4 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 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 G 0 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -97.6 -7.8 8.1 26.6 2 0 A S + 0 0 89 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.266 360.0 126.1-120.3 83.5 -6.7 5.8 28.0 3 1 A G S >> S- 0 0 17 0, 0.0 4,-2.8 0, 0.0 3,-0.9 0.244 84.2 -86.8 118.3 107.3 -7.2 5.1 25.3 4 2 A P H 3> S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.816 120.7 53.5 -62.2 -35.6 -5.4 3.7 22.2 5 3 A E H 3> S+ 0 0 43 2,-0.2 4,-0.9 1,-0.2 98,-0.1 0.675 115.2 41.3 -75.3 -17.4 -4.0 7.1 21.0 6 4 A E H <> S+ 0 0 63 -3,-0.9 4,-3.3 2,-0.2 5,-0.2 0.811 113.2 52.5 -91.1 -40.8 -2.4 7.7 24.5 7 5 A E H X S+ 0 0 117 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.878 110.5 49.8 -60.4 -39.0 -1.3 4.1 24.9 8 6 A F H X S+ 0 0 28 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.958 113.8 43.9 -63.1 -53.9 0.4 4.4 21.4 9 7 A G H X S+ 0 0 0 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.890 113.6 51.5 -57.3 -44.3 2.1 7.6 22.4 10 8 A M H X S+ 0 0 60 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.859 110.8 47.7 -64.7 -37.7 3.1 6.3 25.8 11 9 A S H X S+ 0 0 46 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.825 110.4 52.4 -71.6 -34.0 4.6 3.2 24.3 12 10 A L H X>S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-1.0 0.934 112.5 45.4 -65.2 -47.4 6.5 5.3 21.7 13 11 A I H X5S+ 0 0 10 -4,-2.5 4,-1.3 3,-0.2 -2,-0.2 0.967 115.8 47.5 -58.3 -52.5 7.9 7.4 24.5 14 12 A K H <5S+ 0 0 162 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 125.2 26.1 -59.2 -49.3 8.8 4.4 26.6 15 13 A H H <5S+ 0 0 102 -4,-2.9 71,-0.3 -5,-0.1 -1,-0.2 0.769 134.4 23.1 -92.9 -24.3 10.5 2.4 23.9 16 14 A N H <5S+ 0 0 1 -4,-3.0 15,-3.1 -5,-0.3 -3,-0.2 0.678 100.1 79.7-118.1 -15.4 11.8 4.9 21.4 17 15 A S E << +A 30 0A 14 -4,-1.3 2,-0.3 -5,-1.0 13,-0.2 -0.510 44.9 171.6 -95.8 160.4 12.3 8.3 23.0 18 16 A C E -A 29 0A 7 11,-1.4 11,-2.5 -2,-0.2 2,-0.6 -0.926 38.2-103.7-154.1 167.7 15.1 9.7 25.2 19 17 A V E -A 28 0A 29 -2,-0.3 33,-3.2 9,-0.2 2,-0.5 -0.944 33.6-161.0-102.6 120.4 16.2 13.0 26.7 20 18 A I E -AB 27 51A 0 7,-3.6 7,-3.4 -2,-0.6 2,-0.4 -0.918 5.4-164.4-100.5 124.8 19.1 14.3 24.8 21 19 A T E +AB 26 50A 33 29,-2.6 29,-2.2 -2,-0.5 2,-0.2 -0.953 16.9 159.4-112.7 134.3 21.1 16.9 26.6 22 20 A T E > -A 25 0A 21 3,-2.4 3,-1.3 -2,-0.4 22,-0.1 -0.724 61.3 -84.4-132.1-175.1 23.6 19.2 24.9 23 21 A E T 3 S+ 0 0 196 21,-0.3 3,-0.1 1,-0.2 21,-0.1 0.784 129.4 58.2 -64.5 -23.3 25.3 22.6 25.7 24 22 A N T 3 S- 0 0 88 19,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.503 118.2 -98.3 -85.1 -7.9 22.0 24.1 24.2 25 23 A G E < -A 22 0A 29 -3,-1.3 -3,-2.4 18,-0.1 2,-0.5 -0.862 55.7 -31.2 129.7-163.6 19.7 22.3 26.6 26 24 A K E +A 21 0A 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.880 54.0 175.4-105.0 128.7 17.4 19.3 26.9 27 25 A F E -A 20 0A 19 -7,-3.4 -7,-3.6 -2,-0.5 2,-0.3 -0.930 33.5-114.7-128.6 149.5 15.6 17.9 23.9 28 26 A T E -A 19 0A 1 121,-1.6 2,-0.3 -2,-0.3 -9,-0.2 -0.669 34.5-159.4 -79.1 136.2 13.4 14.9 23.2 29 27 A G E -A 18 0A 0 -11,-2.5 -11,-1.4 -2,-0.3 2,-0.5 -0.877 5.5-146.3-113.7 152.9 15.1 12.5 20.9 30 28 A L E -AC 17 38A 1 8,-2.2 8,-3.1 -2,-0.3 2,-0.5 -0.979 6.5-145.3-124.2 120.9 13.4 9.8 18.8 31 29 A G E + C 0 37A 0 -15,-3.1 6,-0.3 -2,-0.5 57,-0.1 -0.722 22.1 175.3 -81.2 125.5 15.0 6.5 18.0 32 30 A V E - 0 0 1 4,-2.8 56,-2.8 -2,-0.5 57,-0.5 0.854 55.4 -35.4-101.2 -46.9 13.9 5.4 14.5 33 31 A Y E > S+ C 0 36A 38 3,-0.8 3,-2.7 54,-0.2 -1,-0.4 -0.934 108.2 2.0-171.3 162.6 15.9 2.2 13.7 34 32 A D B 3 S-G 85 0B 60 51,-0.5 51,-2.5 -2,-0.3 49,-0.1 -0.289 126.9 -37.7 50.8-124.7 19.3 0.7 14.3 35 33 A R T 3 S+ 0 0 86 49,-0.2 44,-3.1 44,-0.1 2,-0.5 -0.114 105.2 125.9-116.7 33.6 21.2 3.2 16.5 36 34 A F E < -CD 33 78A 30 -3,-2.7 -4,-2.8 42,-0.2 -3,-0.8 -0.834 34.3-178.0-100.0 126.7 19.8 6.3 14.7 37 35 A V E -CD 31 77A 0 40,-2.3 40,-3.1 -2,-0.5 2,-0.4 -0.950 18.8-140.0-121.1 136.6 18.0 8.9 16.8 38 36 A V E +CD 30 76A 1 -8,-3.1 -8,-2.2 -2,-0.4 38,-0.2 -0.829 28.8 168.2 -96.4 137.5 16.4 12.1 15.3 39 37 A V E - D 0 75A 0 36,-2.5 36,-2.9 -2,-0.4 -10,-0.1 -0.986 44.2 -86.0-143.1 149.7 16.9 15.3 17.2 40 38 A P E > - D 0 74A 2 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.333 34.2-130.7 -57.5 141.1 16.3 19.0 16.4 41 39 A T G > S+ 0 0 23 32,-2.0 3,-2.1 1,-0.3 33,-0.2 0.849 105.4 67.9 -60.5 -34.5 19.3 20.5 14.6 42 40 A H G 3 S+ 0 0 128 31,-0.5 -1,-0.3 1,-0.3 32,-0.1 0.503 79.1 76.4 -66.0 -5.2 19.2 23.4 17.0 43 41 A A G < S- 0 0 0 -3,-1.8 -19,-0.7 -20,-0.0 -1,-0.3 0.835 88.2-157.4 -69.9 -28.9 20.2 21.0 19.8 44 42 A D < - 0 0 107 -3,-2.1 -21,-0.3 -4,-0.3 2,-0.2 0.976 10.8-151.5 48.7 70.2 23.7 21.4 18.0 45 43 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.497 5.9-149.2 -75.6 138.0 25.2 18.2 19.3 46 44 A G - 0 0 39 2,-0.6 12,-0.1 -2,-0.2 3,-0.1 0.226 46.1 -75.6 -79.3-152.8 29.0 17.9 19.8 47 45 A K S S+ 0 0 171 1,-0.1 11,-2.6 10,-0.1 2,-0.3 0.721 124.8 36.2 -82.2 -25.0 31.1 14.7 19.4 48 46 A E E S+ E 0 57A 113 9,-0.3 -2,-0.6 2,-0.0 2,-0.3 -0.958 71.8 171.1-125.5 142.6 29.7 13.6 22.8 49 47 A I E - E 0 56A 7 7,-2.8 7,-3.4 -2,-0.3 2,-0.5 -0.868 34.1-106.2-137.2 174.5 26.1 14.2 24.1 50 48 A Q E -BE 21 55A 74 -29,-2.2 -29,-2.6 -2,-0.3 2,-0.6 -0.945 23.8-166.1-110.4 128.2 24.1 12.9 27.1 51 49 A V E > S-BE 20 54A 19 3,-2.0 3,-1.3 -2,-0.5 -31,-0.2 -0.936 81.2 -23.5-112.6 108.5 21.3 10.4 26.5 52 50 A D T 3 S- 0 0 96 -33,-3.2 -1,-0.2 -2,-0.6 -32,-0.1 0.899 132.7 -45.8 54.3 42.4 19.0 10.1 29.6 53 51 A G T 3 S+ 0 0 50 -34,-0.4 2,-0.6 1,-0.1 -1,-0.3 0.384 116.7 115.0 84.8 1.3 21.9 11.5 31.7 54 52 A I E < -E 51 0A 118 -3,-1.3 -3,-2.0 2,-0.0 -1,-0.1 -0.900 69.0-121.7-115.0 115.1 24.7 9.2 30.1 55 53 A T E -E 50 0A 96 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.3 -0.252 38.1-177.6 -55.1 115.1 27.6 10.6 28.1 56 54 A T E -E 49 0A 16 -7,-3.4 -7,-2.8 -2,-0.1 2,-0.5 -0.934 25.6-126.5-122.2 141.0 27.4 8.9 24.7 57 55 A K E -E 48 0A 130 -2,-0.4 2,-0.6 -9,-0.2 23,-0.3 -0.741 20.4-139.4 -87.5 126.8 29.7 9.3 21.7 58 56 A V - 0 0 17 -11,-2.6 21,-0.2 -2,-0.5 3,-0.1 -0.802 15.2-169.4 -89.4 121.1 27.9 10.3 18.5 59 57 A I + 0 0 85 19,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.987 66.6 3.5 -72.7 -63.4 29.5 8.4 15.6 60 58 A D - 0 0 65 18,-0.5 18,-2.7 2,-0.0 2,-0.4 -0.849 61.4-156.9-124.5 161.8 27.9 10.1 12.6 61 59 A S E -F 77 0A 66 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.992 7.7-172.9-143.4 127.3 25.6 13.1 12.2 62 60 A Y E -F 76 0A 119 14,-2.7 14,-2.5 -2,-0.4 2,-0.2 -0.926 14.5-148.1-131.3 112.0 23.3 13.8 9.2 63 61 A D E -F 75 0A 58 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.527 26.0-130.8 -71.4 135.1 21.3 17.0 8.6 64 62 A L E - 0 0 22 10,-2.0 8,-3.2 -2,-0.2 9,-0.6 -0.737 24.8-173.0 -94.1 144.7 18.1 16.2 6.8 65 63 A Y E -F 71 0A 115 -2,-0.3 6,-0.2 6,-0.3 2,-0.0 -0.960 16.8-125.3-135.0 146.4 17.0 18.2 3.7 66 64 A N > - 0 0 21 4,-2.6 3,-2.3 -2,-0.3 69,-0.1 -0.150 44.9 -80.1 -84.1-176.5 13.8 18.2 1.6 67 65 A K T 3 S+ 0 0 162 1,-0.3 68,-0.1 2,-0.1 -1,-0.0 0.806 131.4 48.1 -55.0 -35.9 13.3 17.8 -2.2 68 66 A N T 3 S- 0 0 54 66,-0.4 -1,-0.3 2,-0.1 65,-0.1 0.239 122.5-103.3 -90.6 10.5 14.4 21.4 -2.9 69 67 A G S < S+ 0 0 48 -3,-2.3 2,-0.5 1,-0.3 -2,-0.1 0.786 72.6 143.9 72.9 27.4 17.5 21.2 -0.7 70 68 A I - 0 0 49 64,-0.2 -4,-2.6 1,-0.0 -1,-0.3 -0.883 55.9-109.3 -99.3 131.2 16.1 23.1 2.3 71 69 A K E - F 0 65A 83 -2,-0.5 -6,-0.3 -6,-0.2 -1,-0.0 -0.293 16.6-149.5 -56.1 131.0 17.1 21.9 5.8 72 70 A L E - 0 0 19 -8,-3.2 -7,-0.1 2,-0.3 -1,-0.1 0.778 34.2-121.0 -71.4 -28.2 14.4 20.2 7.8 73 71 A E E S+ 0 0 64 -9,-0.6 -32,-2.0 1,-0.5 -31,-0.5 0.580 83.9 97.2 89.9 15.2 15.7 21.4 11.2 74 72 A I E -D 40 0A 0 -34,-0.3 -10,-2.0 -10,-0.3 -1,-0.5 -0.947 56.4-161.1-127.7 145.8 16.1 17.8 12.4 75 73 A T E -DF 39 63A 3 -36,-2.9 -36,-2.5 -2,-0.3 2,-0.5 -0.929 14.9-130.9-127.6 150.1 19.4 15.8 12.3 76 74 A V E -DF 38 62A 11 -14,-2.5 -14,-2.7 -2,-0.3 2,-0.4 -0.922 22.2-161.8-105.4 125.8 19.9 12.1 12.5 77 75 A L E -DF 37 61A 0 -40,-3.1 -40,-2.3 -2,-0.5 2,-0.7 -0.893 13.4-143.7-109.0 137.9 22.6 11.0 15.0 78 76 A K E -D 36 0A 80 -18,-2.7 -19,-2.8 -2,-0.4 -18,-0.5 -0.909 33.4-156.5 -98.1 114.9 24.3 7.6 14.9 79 77 A L - 0 0 1 -44,-3.1 -21,-0.1 -2,-0.7 -44,-0.1 -0.334 30.7-123.4 -93.8 173.8 24.8 6.6 18.6 80 78 A D + 0 0 96 -23,-0.3 -22,-0.1 -2,-0.1 -1,-0.1 0.064 58.8 157.7 -94.8 19.6 27.0 4.4 20.7 81 79 A R - 0 0 58 -46,-0.2 -46,-0.0 -24,-0.1 -24,-0.0 0.123 45.7-128.0 -53.3 164.2 23.9 2.6 22.1 82 80 A N S S+ 0 0 138 2,-0.0 2,-0.1 -47,-0.0 -47,-0.0 0.845 85.8 6.4 -46.5 -69.5 23.8 -0.9 23.7 83 81 A E S S- 0 0 89 -49,-0.1 2,-0.3 0, 0.0 -2,-0.0 0.436 86.1 -83.0 123.9 150.1 21.4 -2.0 21.9 84 82 A K - 0 0 126 -2,-0.1 -49,-0.2 -49,-0.1 2,-0.1 -0.988 32.2-119.4-146.7 140.2 19.0 -1.3 18.9 85 83 A F B -G 34 0B 14 -51,-2.5 -51,-0.5 -2,-0.3 2,-0.3 -0.445 36.2-104.6 -74.7 147.3 15.8 0.6 18.6 86 84 A R - 0 0 96 -71,-0.3 2,-0.6 -53,-0.1 -1,-0.1 -0.627 48.7-106.4 -70.0 131.7 12.7 -1.2 17.4 87 85 A D + 0 0 72 -2,-0.3 3,-0.3 1,-0.2 -54,-0.2 -0.477 43.8 174.9 -65.5 109.9 12.3 -0.1 13.8 88 86 A I >> + 0 0 0 -56,-2.8 3,-2.5 -2,-0.6 4,-0.5 0.365 43.4 114.1-100.7 9.8 9.4 2.4 13.7 89 87 A R G >4 + 0 0 49 -57,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.744 66.3 67.9 -49.6 -29.2 9.9 3.4 10.0 90 88 A R G 34 S+ 0 0 170 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.679 94.6 55.6 -70.2 -17.5 6.6 1.8 9.1 91 89 A Y G <4 S+ 0 0 34 -3,-2.5 68,-1.3 67,-0.1 -1,-0.3 0.659 87.9 94.3 -85.3 -15.4 4.7 4.4 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