==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-JAN-12 4DCD . COMPND 2 MOLECULE: GENOME POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN POLIOVIRUS 1; . AUTHOR S.LOVELL,K.P.BATTAILE,Y.KIM,K.-C.TIEW,S.R.MANDADAPU,K.R.ALLI . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 73.9 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 . 78 42.4 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 . 2 1.1 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 . 23 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 3 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 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 -3 A H 0 0 247 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 155.3 -15.5 3.8 3.5 2 -2 A H - 0 0 165 1,-0.1 3,-0.0 2,-0.1 0, 0.0 -0.296 360.0-122.9 -62.7 150.1 -12.1 2.3 2.6 3 -1 A H S S+ 0 0 172 1,-0.2 2,-0.7 2,-0.1 -1,-0.1 0.949 106.0 50.5 -60.1 -48.8 -10.8 -0.4 5.0 4 0 A H S S- 0 0 97 4,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.857 92.3-145.8 -95.8 118.5 -7.6 1.7 5.5 5 1 A G > - 0 0 27 -2,-0.7 4,-2.4 -4,-0.1 5,-0.2 -0.044 24.6 -95.3 -84.9 177.1 -8.6 5.2 6.4 6 2 A P H > S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.836 118.8 54.5 -65.3 -35.7 -7.1 8.5 5.7 7 3 A G H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 113.4 42.1 -64.3 -46.9 -5.2 8.8 9.0 8 4 A F H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.930 113.5 51.3 -63.9 -46.1 -3.4 5.5 8.5 9 5 A D H X S+ 0 0 88 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.900 112.3 48.2 -61.5 -38.1 -2.8 6.1 4.8 10 6 A Y H X S+ 0 0 29 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.948 111.7 48.7 -65.8 -46.8 -1.2 9.5 5.6 11 7 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.917 112.6 47.9 -59.7 -45.7 0.9 8.0 8.4 12 8 A V H X S+ 0 0 52 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.924 113.2 47.4 -65.8 -40.2 2.2 5.2 6.2 13 9 A A H X S+ 0 0 51 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.890 114.1 47.7 -68.3 -38.8 3.0 7.6 3.3 14 10 A M H X S+ 0 0 6 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.942 113.0 48.4 -64.3 -47.8 4.8 10.0 5.6 15 11 A A H X S+ 0 0 9 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.873 100.3 65.2 -60.5 -42.5 6.8 7.2 7.2 16 12 A K H < S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.883 121.0 16.9 -53.8 -43.2 7.9 5.6 4.0 17 13 A R H < S+ 0 0 143 -4,-1.0 71,-0.5 -3,-0.4 -1,-0.2 0.554 133.6 38.7-109.6 -10.2 10.0 8.6 2.9 18 14 A N H < S+ 0 0 0 -4,-2.1 15,-3.4 -5,-0.2 2,-0.5 0.459 97.9 73.2-124.5 0.3 10.5 10.6 6.1 19 15 A I E < +A 32 0A 12 -4,-2.0 2,-0.3 -5,-0.3 13,-0.2 -0.964 51.9 165.2-118.5 128.1 11.0 8.2 9.0 20 16 A V E -A 31 0A 33 11,-2.7 11,-2.4 -2,-0.5 2,-0.6 -0.831 38.7-109.5-125.7 170.1 14.2 6.3 9.5 21 17 A T E -A 30 0A 35 -2,-0.3 33,-0.5 9,-0.2 2,-0.4 -0.919 34.2-167.2-103.5 122.0 15.6 4.3 12.3 22 18 A A E -AB 29 53A 0 7,-2.9 7,-2.8 -2,-0.6 2,-0.5 -0.875 8.0-153.1-109.2 138.4 18.6 6.0 14.0 23 19 A T E +AB 28 52A 46 29,-2.2 29,-2.3 -2,-0.4 5,-0.2 -0.948 19.6 169.0-112.1 121.5 21.0 4.3 16.5 24 20 A T E > -A 27 0A 12 3,-2.5 3,-1.8 -2,-0.5 22,-0.1 -0.511 58.3 -84.6-107.5-175.5 22.8 6.4 19.0 25 21 A S T 3 S+ 0 0 117 21,-0.4 3,-0.1 1,-0.3 21,-0.1 0.714 131.6 58.4 -63.3 -15.9 24.8 5.3 22.0 26 22 A K T 3 S- 0 0 140 19,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.355 118.7-104.8 -95.1 2.4 21.4 5.2 23.8 27 23 A G E < -A 24 0A 28 -3,-1.8 -3,-2.5 18,-0.1 -1,-0.3 -0.638 59.8 -18.1 112.4-164.3 19.9 2.7 21.3 28 24 A E E +A 23 0A 72 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.616 55.4 179.4 -86.7 139.2 17.5 2.8 18.4 29 25 A F E -A 22 0A 17 -7,-2.8 -7,-2.9 -2,-0.3 2,-0.2 -0.994 33.4-116.1-135.9 139.6 15.1 5.7 17.9 30 26 A T E -A 21 0A 0 121,-1.1 2,-0.4 -2,-0.4 -9,-0.2 -0.553 40.9-160.8 -63.6 141.1 12.5 6.4 15.3 31 27 A M E -A 20 0A 0 -11,-2.4 -11,-2.7 -2,-0.2 2,-0.5 -0.976 13.9-144.3-139.5 125.6 13.6 9.6 13.5 32 28 A L E -AC 19 40A 2 8,-0.8 8,-2.1 -2,-0.4 2,-0.5 -0.734 10.5-150.2 -86.3 123.4 11.8 12.1 11.4 33 29 A G E - C 0 39A 0 -15,-3.4 6,-0.3 -2,-0.5 3,-0.1 -0.841 15.4-176.8 -87.7 130.6 13.6 13.6 8.5 34 30 A V E - 0 0 0 4,-2.8 56,-2.7 -2,-0.5 57,-0.5 0.881 54.5 -33.0 -99.7 -47.6 12.3 17.0 7.9 35 31 A H E > S- C 0 38A 23 3,-1.2 3,-3.1 54,-0.2 -1,-0.4 -0.940 103.7 -15.8-169.1 156.7 14.0 18.4 4.8 36 32 A D B 3 S-G 87 0B 51 51,-1.0 51,-2.5 -2,-0.3 44,-0.0 -0.126 128.4 -24.2 45.5-122.3 17.4 18.3 3.1 37 33 A N T 3 S+ 0 0 45 49,-0.2 44,-2.7 -3,-0.1 2,-0.5 0.094 110.6 114.4-103.8 24.6 19.9 16.8 5.7 38 34 A V E < +CD 35 80A 17 -3,-3.1 -4,-2.8 42,-0.2 -3,-1.2 -0.823 34.0 159.2-105.9 126.9 17.8 17.9 8.7 39 35 A A E -CD 33 79A 0 40,-2.6 40,-2.7 -2,-0.5 2,-0.4 -0.881 27.3-129.1-134.3 168.8 16.2 15.4 11.1 40 36 A I E +CD 32 78A 0 -8,-2.1 -8,-0.8 -2,-0.3 38,-0.2 -0.965 21.3 173.0-125.4 144.8 14.9 15.4 14.7 41 37 A L E - D 0 77A 0 36,-2.3 36,-3.0 -2,-0.4 2,-0.1 -0.933 45.8 -87.0-133.8 159.4 15.5 13.2 17.7 42 38 A P E > - D 0 76A 0 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.457 41.3-124.1 -56.6 135.8 14.5 13.3 21.3 43 39 A T G > S+ 0 0 34 32,-1.5 3,-1.8 1,-0.3 33,-0.1 0.875 110.9 61.2 -54.8 -33.9 17.1 15.3 23.1 44 40 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.562 81.9 79.6 -75.5 -4.2 17.7 12.4 25.4 45 41 A A G < S- 0 0 0 -3,-2.2 -19,-0.6 -20,-0.0 -1,-0.3 0.734 90.0-151.9 -67.9 -23.1 18.6 10.2 22.5 46 42 A S < - 0 0 56 -3,-1.8 -21,-0.4 -4,-0.4 -2,-0.1 0.891 7.8-155.8 56.3 51.9 22.0 12.0 22.9 47 43 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.304 13.9-167.8 -58.8 139.2 23.1 11.9 19.3 48 44 A G - 0 0 46 2,-0.7 3,-0.1 0, 0.0 12,-0.1 0.177 50.2 -47.5-102.1-137.6 26.9 12.2 19.3 49 45 A E S S+ 0 0 162 1,-0.1 11,-2.6 10,-0.1 2,-0.3 0.658 124.2 7.5 -74.7 -18.3 29.4 12.8 16.4 50 46 A S E - E 0 59A 29 9,-0.3 -2,-0.7 31,-0.0 2,-0.3 -0.983 61.7-156.7-157.1 159.5 27.6 10.1 14.4 51 47 A I E - E 0 58A 1 7,-2.3 7,-3.2 -2,-0.3 2,-0.5 -0.915 26.4-113.0-133.2 161.9 24.6 7.9 14.3 52 48 A V E +BE 23 57A 55 -29,-2.3 -29,-2.2 -2,-0.3 2,-0.4 -0.858 33.2 173.1 -99.2 128.8 23.9 4.6 12.5 53 49 A I E > S-BE 22 56A 14 3,-2.7 3,-1.9 -2,-0.5 -31,-0.1 -0.994 73.1 -9.4-130.2 128.6 21.2 4.6 9.8 54 50 A D T 3 S- 0 0 102 -33,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.876 129.2 -55.6 53.2 42.5 20.7 1.4 7.7 55 51 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.500 117.6 106.8 76.6 2.9 23.8 -0.2 9.1 56 52 A K E < S-E 53 0A 53 -3,-1.9 -3,-2.7 2,-0.0 2,-0.4 -0.931 72.4-119.3-120.2 140.3 26.1 2.7 8.1 57 53 A E E -E 52 0A 139 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.609 29.3-166.1 -73.6 128.3 27.7 5.4 10.3 58 54 A V E -E 51 0A 16 -7,-3.2 -7,-2.3 -2,-0.4 2,-0.1 -0.984 18.4-126.1-120.7 121.8 26.5 8.8 9.3 59 55 A E E -E 50 0A 48 -2,-0.5 23,-3.0 23,-0.4 2,-0.5 -0.418 15.3-138.9 -65.6 139.9 28.4 11.8 10.6 60 56 A I E -F 81 0A 21 -11,-2.6 21,-0.2 21,-0.2 3,-0.1 -0.892 13.6-170.5 -99.3 127.1 26.4 14.5 12.4 61 57 A L E S- 0 0 113 19,-3.1 2,-0.3 -2,-0.5 20,-0.1 0.796 70.5 -2.9 -87.0 -34.0 27.5 18.1 11.5 62 58 A D E -F 80 0A 92 18,-0.9 18,-2.2 2,-0.0 2,-0.4 -0.987 52.8-160.9-158.2 150.0 25.4 19.8 14.2 63 59 A A E -F 79 0A 49 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.979 11.0-169.6-134.8 120.8 23.0 19.1 16.9 64 60 A K E -F 78 0A 39 14,-2.9 14,-2.8 -2,-0.4 2,-0.6 -0.956 11.9-150.0-115.3 113.1 20.8 21.8 18.3 65 61 A A E -F 77 0A 60 -2,-0.5 12,-0.2 12,-0.3 2,-0.2 -0.744 23.9-133.6 -82.5 120.1 18.8 21.1 21.4 66 62 A L E + 0 0 29 10,-3.1 8,-2.4 -2,-0.6 9,-0.5 -0.477 28.4 173.2 -79.8 143.4 15.6 23.2 21.3 67 63 A E E -F 73 0A 123 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.940 30.6-111.3-138.3 159.1 14.3 25.3 24.2 68 64 A D > - 0 0 25 4,-2.4 3,-2.1 -2,-0.3 6,-0.1 -0.205 48.9 -83.7 -81.7-176.6 11.5 27.8 24.5 69 65 A Q T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.730 131.1 53.3 -63.4 -21.4 12.0 31.5 25.0 70 66 A A T 3 S- 0 0 82 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.384 122.5-104.6 -92.1 0.3 12.3 31.0 28.8 71 67 A G < + 0 0 34 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.425 69.1 151.3 92.4 1.5 15.0 28.4 28.3 72 68 A T - 0 0 24 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.475 52.6-105.2 -74.5 135.1 12.8 25.4 29.0 73 69 A N E - F 0 67A 27 62,-0.4 64,-2.6 -2,-0.2 -6,-0.2 -0.247 25.3-168.7 -54.5 134.3 13.8 22.2 27.3 74 70 A L E - 0 0 3 -8,-2.4 -7,-0.2 2,-0.2 -1,-0.1 0.463 35.7-129.3 -98.9 -9.3 11.5 21.2 24.4 75 71 A E E S+ 0 0 4 -9,-0.5 -32,-1.5 1,-0.2 2,-0.5 0.621 71.5 117.8 67.9 17.8 13.1 17.7 24.3 76 72 A I E -D 42 0A 0 -10,-0.4 -10,-3.1 -34,-0.3 2,-0.5 -0.951 44.4-169.3-110.9 132.6 13.7 18.1 20.5 77 73 A T E -DF 41 65A 7 -36,-3.0 -36,-2.3 -2,-0.5 2,-0.6 -0.991 12.5-148.1-120.3 123.6 17.2 18.1 19.1 78 74 A I E -DF 40 64A 22 -14,-2.8 -14,-2.9 -2,-0.5 2,-0.3 -0.825 19.8-168.8 -87.6 122.5 17.6 19.1 15.5 79 75 A I E -DF 39 63A 0 -40,-2.7 -40,-2.6 -2,-0.6 2,-0.4 -0.856 13.8-148.7-114.2 150.0 20.5 17.2 13.9 80 76 A T E -DF 38 62A 31 -18,-2.2 -19,-3.1 -2,-0.3 -18,-0.9 -0.975 17.8-144.6-116.3 128.4 22.2 17.8 10.5 81 77 A L E - 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