==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-11 3SJ9 . COMPND 2 MOLECULE: 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS A16; . AUTHOR G.LU,J.QI,Z.CHEN,X.XU,F.GAO,D.LIN,W.QIAN,H.LIU,H.JIANG,J.YAN . 187 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 42.8 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 3.7 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 . 25 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.7 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 2 2 3 3 2 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 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 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 4 A L > 0 0 133 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -2.3 4.5 -1.3 -20.3 2 5 A D H > + 0 0 142 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 360.0 45.1 -55.4 -48.9 7.5 -3.5 -20.4 3 6 A F H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.966 114.4 46.2 -61.1 -56.0 5.7 -6.3 -18.5 4 7 A A H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.845 114.5 51.6 -55.1 -35.1 2.5 -6.2 -20.6 5 8 A L H X S+ 0 0 94 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.914 112.0 43.1 -68.9 -45.8 4.8 -6.0 -23.7 6 9 A S H X S+ 0 0 49 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.821 113.4 53.8 -72.5 -29.5 6.8 -9.1 -22.7 7 10 A L H X>S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 5,-0.9 0.855 106.3 50.9 -74.2 -39.6 3.7 -11.0 -21.7 8 11 A L H <5S+ 0 0 20 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.845 115.0 43.6 -56.0 -41.9 2.0 -10.4 -24.9 9 12 A R H <5S+ 0 0 174 -4,-1.4 -2,-0.2 1,-0.1 -3,-0.1 0.900 124.5 30.9 -77.1 -43.4 4.9 -11.7 -26.9 10 13 A R H <5S+ 0 0 123 -4,-2.2 71,-0.4 -5,-0.1 -2,-0.2 0.704 135.5 12.6 -87.1 -18.2 5.8 -14.6 -24.8 11 14 A N T <5S+ 0 0 0 -4,-1.5 15,-3.1 -5,-0.2 2,-0.5 0.600 96.5 86.2-141.9 -24.6 2.5 -15.8 -23.4 12 15 A I E < -A 25 0A 0 -5,-0.9 2,-0.3 -4,-0.3 13,-0.2 -0.841 52.3-177.0-104.8 122.9 -0.6 -14.2 -25.0 13 16 A R E -A 24 0A 43 11,-2.8 11,-2.1 -2,-0.5 2,-0.4 -0.828 31.0-113.7-122.0 152.1 -2.1 -15.9 -28.1 14 17 A Q E -A 23 0A 38 -2,-0.3 33,-2.1 9,-0.2 2,-0.3 -0.711 46.2-177.7 -81.2 129.6 -4.9 -15.3 -30.6 15 18 A V E -AB 22 46A 3 7,-2.0 7,-2.5 -2,-0.4 2,-0.4 -0.928 21.8-163.2-135.9 150.7 -7.4 -18.1 -30.2 16 19 A Q E +AB 21 45A 56 29,-2.3 29,-2.9 -2,-0.3 2,-0.2 -0.999 12.5 169.2-132.4 139.2 -10.7 -19.4 -31.7 17 20 A T E > -A 20 0A 7 3,-2.6 3,-1.6 -2,-0.4 27,-0.1 -0.687 57.9 -82.5-126.5-173.5 -13.2 -21.9 -30.3 18 21 A D T 3 S+ 0 0 131 21,-0.4 21,-0.1 20,-0.3 3,-0.1 0.694 130.7 56.7 -63.1 -17.0 -16.7 -22.9 -31.4 19 22 A Q T 3 S- 0 0 111 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.450 117.5-105.8 -96.2 -2.4 -17.9 -19.9 -29.4 20 23 A G E < -A 17 0A 23 -3,-1.6 -3,-2.6 18,-0.1 2,-0.3 -0.832 63.1 -7.2 119.7-154.7 -15.7 -17.4 -31.4 21 24 A H E +A 16 0A 37 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.660 60.0 167.9 -89.5 135.8 -12.5 -15.4 -30.9 22 25 A F E -A 15 0A 5 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.939 35.1-117.2-139.6 160.5 -10.8 -15.2 -27.5 23 26 A T E -A 14 0A 0 121,-1.6 2,-0.4 -2,-0.3 -9,-0.2 -0.835 33.2-158.6 -94.6 139.1 -7.6 -14.1 -25.9 24 27 A M E -A 13 0A 0 -11,-2.1 -11,-2.8 -2,-0.4 2,-0.6 -0.977 9.9-152.3-127.3 131.3 -5.5 -16.9 -24.3 25 28 A L E -AC 12 33A 0 8,-1.4 8,-2.5 -2,-0.4 2,-0.5 -0.881 10.5-148.4 -99.4 117.5 -2.8 -16.8 -21.7 26 29 A G E - C 0 32A 0 -15,-3.1 6,-0.3 -2,-0.6 3,-0.1 -0.764 15.7-174.9 -78.7 124.1 -0.2 -19.5 -21.7 27 30 A V E - 0 0 0 4,-2.2 56,-2.5 -2,-0.5 57,-0.3 0.915 57.2 -28.0 -90.6 -50.9 0.8 -20.0 -18.1 28 31 A R E > S- C 0 31A 41 3,-1.4 3,-2.1 54,-0.2 -1,-0.2 -0.847 105.5 -23.6-171.7 136.6 3.6 -22.6 -18.3 29 32 A D B 3 S-P 80 0B 80 51,-2.8 51,-2.8 1,-0.3 -1,-0.0 -0.469 129.1 -23.3 58.1-126.6 4.7 -25.4 -20.5 30 33 A R T 3 S+ 0 0 84 -2,-0.2 44,-3.0 49,-0.2 2,-0.5 0.149 111.4 111.7-104.2 17.0 1.6 -26.5 -22.3 31 34 A L E < +CD 28 73A 26 -3,-2.1 -4,-2.2 42,-0.2 -3,-1.4 -0.799 39.4 164.7 -93.6 131.3 -0.9 -25.2 -19.7 32 35 A A E -CD 26 72A 0 40,-2.6 40,-3.0 -2,-0.5 2,-0.4 -0.911 26.4-129.3-139.9 166.5 -3.0 -22.2 -20.7 33 36 A I E +CD 25 71A 1 -8,-2.5 -8,-1.4 -2,-0.3 38,-0.2 -0.957 22.5 173.1-127.8 141.1 -6.2 -20.5 -19.4 34 37 A L E - D 0 70A 0 36,-1.9 36,-2.6 -2,-0.4 2,-0.2 -0.927 42.6 -90.9-137.2 160.0 -9.4 -19.5 -21.1 35 38 A P E > - D 0 69A 0 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.568 40.3-125.0 -71.6 139.6 -12.8 -18.0 -20.0 36 39 A R G > S+ 0 0 33 32,-1.7 3,-2.2 1,-0.3 33,-0.1 0.839 106.4 62.5 -57.1 -37.2 -15.1 -21.0 -19.3 37 40 A H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.579 86.8 74.0 -69.6 -7.1 -17.8 -19.8 -21.7 38 41 A S G < S- 0 0 0 -3,-2.0 -19,-0.6 -20,-0.0 -1,-0.3 0.675 88.8-154.8 -73.8 -17.3 -15.4 -20.2 -24.5 39 42 A Q < - 0 0 98 -3,-2.2 -21,-0.4 -4,-0.3 -20,-0.1 0.905 13.4-172.0 39.5 71.0 -15.9 -23.9 -24.1 40 43 A P > + 0 0 5 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.965 18.8 164.3 -52.8 -63.5 -12.6 -25.2 -25.5 41 44 A G T 3 - 0 0 44 1,-0.2 14,-0.1 -24,-0.1 3,-0.1 -0.639 62.9 -19.5 83.8-132.2 -13.4 -28.9 -25.5 42 45 A K T 3 S+ 0 0 175 -2,-0.4 11,-4.0 1,-0.2 2,-0.3 0.715 128.8 17.6 -87.0 -25.2 -11.3 -31.3 -27.5 43 46 A T E < - E 0 52A 39 -3,-0.7 2,-0.3 9,-0.3 9,-0.2 -0.983 55.4-176.8-147.3 154.3 -9.8 -28.7 -29.9 44 47 A I E - E 0 51A 0 7,-2.1 7,-3.2 -2,-0.3 2,-0.7 -0.964 30.9-115.2-143.1 162.4 -9.1 -25.0 -30.4 45 48 A W E -BE 16 50A 91 -29,-2.9 -29,-2.3 -2,-0.3 2,-0.7 -0.902 28.6-172.7 -99.4 115.4 -7.6 -22.9 -33.1 46 49 A V E > S-BE 15 49A 20 3,-2.6 3,-1.3 -2,-0.7 -31,-0.2 -0.914 77.3 -22.5-109.7 107.2 -4.4 -21.2 -31.9 47 50 A E T 3 S- 0 0 65 -33,-2.1 -1,-0.2 -2,-0.7 -32,-0.1 0.911 127.7 -52.4 58.4 42.3 -3.1 -18.7 -34.4 48 51 A H T 3 S+ 0 0 123 1,-0.2 2,-0.5 -34,-0.2 -1,-0.2 0.458 113.8 119.6 73.2 3.0 -5.0 -20.5 -37.1 49 52 A K E < -E 46 0A 140 -3,-1.3 -3,-2.6 2,-0.0 2,-0.8 -0.873 66.7-127.4 -95.9 129.7 -3.5 -23.9 -36.2 50 53 A L E -E 45 0A 109 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.671 35.0-172.1 -78.4 111.8 -6.0 -26.6 -35.2 51 54 A I E -E 44 0A 28 -7,-3.2 -7,-2.1 -2,-0.8 2,-0.3 -0.834 21.1-125.2-110.6 142.2 -4.7 -27.9 -31.8 52 55 A N E -E 43 0A 89 23,-0.5 23,-2.7 -2,-0.4 2,-0.7 -0.666 17.7-138.5 -81.3 136.9 -5.8 -30.8 -29.7 53 56 A V E -F 74 0A 16 -11,-4.0 21,-0.2 -2,-0.3 3,-0.1 -0.874 15.9-172.9 -97.0 112.7 -6.8 -30.2 -26.1 54 57 A L E S+ 0 0 90 19,-2.4 2,-0.3 -2,-0.7 20,-0.2 0.734 71.2 7.5 -77.1 -24.2 -5.4 -33.0 -24.0 55 58 A D E -F 73 0A 79 18,-1.0 18,-2.6 -14,-0.1 2,-0.4 -0.971 57.7-169.5-160.7 140.3 -7.1 -31.8 -20.8 56 59 A A E -F 72 0A 50 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.956 6.5-175.3-139.1 119.1 -9.7 -29.2 -19.8 57 60 A V E -F 71 0A 68 14,-2.8 14,-2.6 -2,-0.4 2,-0.6 -0.958 13.3-151.5-118.6 122.7 -10.5 -28.3 -16.2 58 61 A E E -F 70 0A 101 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.827 22.1-130.6 -94.8 117.7 -13.3 -25.9 -15.3 59 62 A L E +F 69 0A 21 10,-2.5 8,-1.9 -2,-0.6 10,-0.5 -0.492 35.5 162.8 -74.2 126.5 -12.6 -24.1 -12.0 60 63 A V E -F 66 0A 76 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.900 33.5-112.4-132.0 163.4 -15.4 -24.0 -9.4 61 64 A D > - 0 0 23 4,-1.7 3,-3.1 -2,-0.3 6,-0.0 -0.295 47.2 -80.6 -90.3-178.5 -15.3 -23.3 -5.6 62 65 A E T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.710 133.7 49.2 -57.5 -22.1 -16.0 -25.7 -2.7 63 66 A Q T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.351 120.8-108.4 -96.0 3.2 -19.7 -25.2 -3.3 64 67 A G < + 0 0 46 -3,-3.1 2,-0.3 1,-0.3 -2,-0.1 0.642 65.4 153.9 81.2 15.8 -19.4 -25.9 -7.0 65 68 A V - 0 0 32 1,-0.1 -4,-1.7 2,-0.0 -1,-0.3 -0.627 51.2 -98.7 -81.5 134.2 -20.0 -22.3 -8.0 66 69 A N E -gF 129 60A 8 62,-0.6 64,-2.3 -2,-0.3 -6,-0.2 -0.122 30.9-176.3 -52.0 137.2 -18.6 -21.2 -11.4 67 70 A L E - 0 0 2 -8,-1.9 -7,-0.1 2,-0.2 -1,-0.1 0.350 40.8-128.2-111.5 -2.3 -15.3 -19.3 -11.4 68 71 A E E + 0 0 0 -9,-0.4 -32,-1.7 1,-0.2 2,-0.4 0.709 67.9 121.5 66.2 24.2 -15.5 -18.8 -15.1 69 72 A L E -DF 35 59A 0 -10,-0.5 -10,-2.5 -34,-0.3 2,-0.4 -0.947 41.8-168.1-120.5 139.6 -12.0 -20.2 -15.7 70 73 A T E -DF 34 58A 1 -36,-2.6 -36,-1.9 -2,-0.4 2,-0.5 -0.945 10.1-152.6-130.1 112.2 -10.9 -23.2 -17.8 71 74 A L E -DF 33 57A 17 -14,-2.6 -14,-2.8 -2,-0.4 2,-0.4 -0.706 18.9-167.1 -80.8 124.7 -7.4 -24.6 -17.5 72 75 A V E -DF 32 56A 0 -40,-3.0 -40,-2.6 -2,-0.5 2,-0.7 -0.941 18.0-151.5-118.9 135.4 -6.4 -26.3 -20.8 73 76 A T E -DF 31 55A 35 -18,-2.6 -19,-2.4 -2,-0.4 -18,-1.0 -0.922 26.1-146.5-101.3 115.5 -3.4 -28.6 -21.5 74 77 A L E - F 0 53A 4 -44,-3.0 2,-1.4 -2,-0.7 -21,-0.2 -0.563 13.1-129.3 -88.6 143.2 -2.5 -28.2 -25.1 75 78 A D + 0 0 80 -23,-2.7 -23,-0.5 -2,-0.2 2,-0.3 -0.696 67.6 112.5 -86.6 84.8 -1.1 -30.9 -27.4 76 79 A T - 0 0 42 -2,-1.4 -2,-0.1 2,-0.1 -25,-0.0 -0.992 69.2-133.7-153.5 152.7 1.9 -29.0 -28.8 77 80 A N S S+ 0 0 161 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.795 80.2 102.2 -75.4 -29.0 5.7 -29.1 -28.6 78 81 A E - 0 0 132 -3,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.319 62.4-152.9 -58.4 129.2 5.8 -25.3 -27.9 79 82 A K - 0 0 153 -49,-0.1 2,-0.3 -2,-0.1 -49,-0.2 -0.920 6.9-137.1-109.4 130.3 6.4 -24.5 -24.2 80 83 A F B -P 29 0B 18 -51,-2.8 -51,-2.8 -2,-0.5 -49,-0.1 -0.649 30.4-110.5 -77.5 137.1 5.1 -21.3 -22.6 81 84 A R - 0 0 59 -71,-0.4 2,-0.3 -2,-0.3 -1,-0.1 -0.457 44.8 -94.4 -65.7 140.9 7.6 -19.7 -20.2 82 85 A D + 0 0 78 1,-0.2 -54,-0.2 -2,-0.1 3,-0.2 -0.418 50.5 165.9 -65.2 116.9 6.5 -20.0 -16.6 83 86 A V > + 0 0 0 -56,-2.5 3,-1.7 -2,-0.3 4,-0.3 0.187 44.4 107.6-115.6 14.2 4.6 -16.9 -15.6 84 87 A T G > S+ 0 0 18 -57,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.752 71.2 67.4 -62.5 -23.0 3.1 -18.2 -12.4 85 88 A K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.643 97.0 52.8 -74.1 -13.9 5.5 -16.0 -10.5 86 89 A F G < S+ 0 0 34 -3,-1.7 68,-2.6 2,-0.1 -1,-0.3 0.463 91.0 91.4 -96.4 -4.0 3.7 -12.9 -11.7 87 90 A I S < S- 0 0 0 -3,-1.0 86,-0.2 -4,-0.3 68,-0.1 -0.838 82.2-123.8 -95.4 117.3 0.4 -14.3 -10.5 88 91 A P - 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