==== 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 3SJK . COMPND 2 MOLECULE: 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR G.LU,J.QI,Z.CHEN,X.XU,F.GAO,D.LIN,W.QIAN,H.LIU,H.JIANG,J.YAN . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 73.7 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 . 78 41.9 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 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 0 167 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 173.2 8.6 6.2 -13.0 2 5 A D H > + 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 360.0 48.8 -54.7 -53.5 5.4 5.9 -11.0 3 6 A F H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.943 112.3 49.6 -54.6 -51.4 6.7 6.6 -7.5 4 7 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 110.4 49.3 -53.6 -51.9 8.5 9.8 -8.6 5 8 A L H X S+ 0 0 70 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.884 112.1 48.6 -58.1 -42.2 5.5 11.2 -10.5 6 9 A S H X S+ 0 0 31 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.943 109.5 52.9 -63.6 -46.1 3.2 10.6 -7.5 7 10 A L H X>S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 5,-1.0 0.875 109.6 48.5 -56.2 -42.6 5.7 12.3 -5.2 8 11 A L H X5S+ 0 0 17 -4,-2.3 4,-0.6 3,-0.2 -1,-0.2 0.915 114.2 46.3 -64.7 -43.9 5.8 15.3 -7.4 9 12 A R H <5S+ 0 0 159 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.901 124.7 28.6 -64.1 -43.8 2.0 15.6 -7.6 10 13 A R H <5S+ 0 0 124 -4,-2.6 71,-0.8 -5,-0.1 -2,-0.2 0.635 134.4 15.2 -99.7 -17.4 1.4 15.1 -3.9 11 14 A N H <5S+ 0 0 0 -4,-2.0 15,-2.9 -5,-0.3 2,-0.5 0.603 97.4 83.1-135.5 -21.1 4.4 16.4 -2.0 12 15 A I E << +A 25 0A 0 -5,-1.0 2,-0.3 -4,-0.6 13,-0.2 -0.850 51.2 179.9-108.6 125.1 6.7 18.6 -4.1 13 16 A R E -A 24 0A 57 11,-2.2 11,-2.0 -2,-0.5 2,-0.3 -0.920 30.6-116.1-127.9 144.7 6.0 22.3 -4.6 14 17 A Q E -A 23 0A 33 -2,-0.3 33,-1.7 9,-0.2 2,-0.3 -0.585 42.7-179.0 -75.7 137.1 7.6 25.3 -6.4 15 18 A V E -AB 22 46A 3 7,-2.2 7,-2.1 -2,-0.3 2,-0.3 -0.918 20.3-158.7-139.9 158.8 8.7 27.9 -3.9 16 19 A Q E +AB 21 45A 75 29,-1.6 29,-1.9 -2,-0.3 5,-0.2 -0.950 15.3 165.3-145.1 123.1 10.3 31.4 -3.8 17 20 A T E > -A 20 0A 15 3,-2.4 3,-1.0 -2,-0.3 22,-0.1 -0.535 59.1 -83.9-116.4-171.3 12.1 33.2 -1.0 18 21 A D T 3 S+ 0 0 167 21,-0.3 3,-0.1 1,-0.2 21,-0.1 0.646 129.1 58.0 -70.2 -12.9 14.3 36.2 -0.9 19 22 A Q T 3 S- 0 0 106 19,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.571 117.2-101.3 -93.5 -11.2 17.2 33.9 -1.9 20 23 A G E < -A 17 0A 22 -3,-1.0 -3,-2.4 18,-0.2 2,-0.4 -0.915 60.0 -15.9 134.1-155.9 15.5 32.6 -5.0 21 24 A H E +A 16 0A 39 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.760 60.0 174.6 -95.1 132.1 13.6 29.7 -6.5 22 25 A F E -A 15 0A 10 -7,-2.1 -7,-2.2 -2,-0.4 2,-0.4 -0.951 32.6-124.3-137.3 153.4 13.5 26.4 -4.6 23 26 A T E -A 14 0A 0 121,-1.6 2,-0.4 -2,-0.3 -9,-0.2 -0.801 33.1-157.6 -89.2 137.8 12.0 23.0 -4.7 24 27 A M E -A 13 0A 0 -11,-2.0 -11,-2.2 -2,-0.4 2,-0.6 -0.970 8.8-147.2-126.2 134.9 10.2 22.1 -1.5 25 28 A L E -AC 12 33A 0 8,-1.6 8,-2.0 -2,-0.4 2,-0.5 -0.871 6.4-155.3-101.7 120.5 9.3 18.7 0.0 26 29 A G E + C 0 32A 0 -15,-2.9 6,-0.2 -2,-0.6 3,-0.1 -0.825 14.7 178.9 -88.5 131.5 6.1 18.4 2.1 27 30 A V E - 0 0 0 4,-2.5 56,-2.8 -2,-0.5 57,-0.4 0.866 55.2 -28.7-103.6 -50.2 6.4 15.5 4.5 28 31 A R E > S- C 0 31A 20 3,-1.0 3,-2.7 54,-0.2 -1,-0.4 -0.952 106.9 -12.4-166.2 153.9 3.3 15.2 6.5 29 32 A D B 3 S-H 80 0B 57 51,-0.9 51,-3.4 -2,-0.3 44,-0.0 -0.225 125.8 -32.5 48.9-129.4 0.6 17.5 7.9 30 33 A R T 3 S+ 0 0 91 49,-0.2 44,-2.6 -4,-0.1 2,-0.5 -0.053 107.0 119.6-112.2 29.9 1.8 21.1 7.4 31 34 A L E < +CD 28 73A 20 -3,-2.7 -4,-2.5 42,-0.2 -3,-1.0 -0.850 35.3 168.5-100.9 126.1 5.5 20.3 7.9 32 35 A A E -CD 26 72A 0 40,-2.8 40,-2.7 -2,-0.5 2,-0.4 -0.857 20.8-139.7-132.7 167.7 7.9 20.9 5.0 33 36 A V E +CD 25 71A 1 -8,-2.0 -8,-1.6 -2,-0.3 38,-0.2 -0.988 16.7 176.0-137.8 143.7 11.7 21.1 4.4 34 37 A L E - D 0 70A 0 36,-2.3 36,-2.8 -2,-0.4 2,-0.2 -0.900 43.5 -86.1-136.6 158.2 14.0 23.3 2.5 35 38 A P E > - D 0 69A 0 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.558 44.5-122.4 -65.8 136.1 17.8 23.7 2.0 36 39 A R G > S+ 0 0 68 32,-1.3 3,-1.8 1,-0.3 33,-0.1 0.830 108.5 61.4 -50.9 -38.9 19.0 25.9 4.8 37 40 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.666 84.9 75.8 -69.1 -14.2 20.4 28.5 2.4 38 41 A S G < S- 0 0 0 -3,-2.2 -19,-0.6 -20,-0.0 -1,-0.3 0.791 87.4-159.0 -63.1 -26.0 16.9 29.2 1.0 39 42 A Q < - 0 0 111 -3,-1.8 -21,-0.3 -4,-0.4 -2,-0.1 0.910 5.4-144.7 50.6 61.9 16.5 31.1 4.3 40 43 A P - 0 0 23 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.181 16.7-157.4 -54.6 148.0 12.7 31.1 4.6 41 44 A G - 0 0 39 2,-0.9 12,-0.1 0, 0.0 3,-0.0 -0.138 45.9 -62.0-108.1-154.9 11.3 34.3 6.2 42 45 A K S S+ 0 0 180 -2,-0.1 11,-2.0 10,-0.1 2,-0.3 0.745 124.7 17.7 -63.9 -23.2 8.0 35.2 8.0 43 46 A T E - E 0 52A 57 9,-0.2 -2,-0.9 11,-0.0 2,-0.3 -0.947 67.7-161.5-143.5 161.0 6.3 34.2 4.7 44 47 A I E - E 0 51A 2 7,-2.3 7,-3.0 -2,-0.3 2,-0.8 -0.996 25.3-118.3-145.9 147.8 7.0 32.3 1.5 45 48 A W E -BE 16 50A 125 -29,-1.9 -29,-1.6 -2,-0.3 2,-0.6 -0.766 32.1-177.8 -84.7 110.3 5.6 32.2 -2.0 46 49 A I E > S-BE 15 49A 18 3,-3.0 3,-1.0 -2,-0.8 -31,-0.2 -0.934 74.5 -21.7-111.4 110.7 4.3 28.7 -2.6 47 50 A E T 3 S- 0 0 60 -33,-1.7 -1,-0.2 -2,-0.6 -32,-0.1 0.903 128.5 -51.2 58.1 41.2 2.9 28.2 -6.1 48 51 A H T 3 S+ 0 0 128 1,-0.2 2,-0.5 -34,-0.1 -1,-0.3 0.610 117.1 118.1 72.9 13.6 2.4 32.0 -6.4 49 52 A K E < -E 46 0A 143 -3,-1.0 -3,-3.0 -5,-0.0 2,-0.9 -0.956 66.7-129.1-117.5 126.4 0.5 32.0 -3.1 50 53 A L E -E 45 0A 98 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.610 35.1-174.8 -78.3 104.9 1.8 34.0 -0.1 51 54 A V E -E 44 0A 21 -7,-3.0 -7,-2.3 -2,-0.9 2,-0.4 -0.792 23.7-119.3-106.7 143.2 1.8 31.5 2.8 52 55 A N E -E 43 0A 78 23,-0.5 23,-2.6 -2,-0.3 2,-0.6 -0.640 17.2-145.0 -78.6 129.5 2.6 32.2 6.4 53 56 A V E -F 74 0A 21 -11,-2.0 21,-0.2 -2,-0.4 3,-0.1 -0.870 17.2-178.5 -91.8 120.8 5.5 30.3 8.0 54 57 A L E + 0 0 113 19,-3.0 2,-0.3 -2,-0.6 20,-0.2 0.817 66.1 15.4 -91.1 -35.2 4.7 29.5 11.6 55 58 A D E -F 73 0A 80 18,-1.0 18,-2.2 2,-0.0 2,-0.3 -0.997 56.9-174.6-142.0 145.6 7.8 27.7 12.7 56 59 A A E +F 72 0A 37 -2,-0.3 127,-0.7 16,-0.2 2,-0.5 -0.898 8.6 175.1-144.6 112.2 11.4 27.4 11.3 57 60 A V E -Fg 71 183A 6 14,-2.3 14,-2.8 -2,-0.3 2,-0.5 -0.969 19.8-144.8-124.3 125.9 14.0 25.2 12.8 58 61 A E E -Fg 70 184A 37 125,-3.2 127,-1.6 -2,-0.5 2,-0.3 -0.764 20.0-131.5 -93.0 127.9 17.5 24.6 11.4 59 62 A L E + g 0 185A 1 10,-2.8 8,-2.0 -2,-0.5 10,-0.5 -0.570 27.3 175.2 -83.6 134.6 19.0 21.1 11.8 60 63 A V E -Fg 66 186A 12 125,-2.7 127,-3.0 -2,-0.3 6,-0.2 -0.921 29.0-107.7-132.2 158.3 22.5 20.5 13.1 61 64 A D > - 0 0 5 4,-2.9 3,-3.4 -2,-0.3 6,-0.1 -0.182 48.8 -78.6 -82.1 178.8 24.3 17.3 14.0 62 65 A E T 3 S+ 0 0 143 125,-0.3 -1,-0.1 1,-0.3 124,-0.1 0.731 134.3 45.8 -47.2 -28.1 25.3 16.0 17.4 63 66 A Q T 3 S- 0 0 142 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.153 124.0-100.8-105.9 16.7 28.2 18.4 17.5 64 67 A G S < S+ 0 0 46 -3,-3.4 2,-0.4 1,-0.2 -2,-0.1 0.613 72.6 147.8 78.7 13.8 26.2 21.4 16.4 65 68 A V - 0 0 39 1,-0.1 -4,-2.9 2,-0.0 -1,-0.2 -0.672 55.9 -93.8 -87.6 135.6 27.4 21.3 12.8 66 69 A N E - F 0 60A 10 -2,-0.4 64,-2.1 62,-0.3 -6,-0.2 -0.067 30.8-175.2 -43.0 132.8 25.1 22.4 9.9 67 70 A L E - 0 0 2 -8,-2.0 -7,-0.2 62,-0.2 -1,-0.1 0.400 40.9-126.2-107.1 -4.7 23.1 19.7 8.2 68 71 A E E + 0 0 2 -9,-0.5 -32,-1.3 1,-0.2 2,-0.4 0.761 69.2 122.2 67.5 29.0 21.7 22.2 5.7 69 72 A L E -D 35 0A 1 -10,-0.5 -10,-2.8 -34,-0.2 2,-0.5 -0.983 42.5-166.6-127.1 125.0 18.1 21.3 6.4 70 73 A T E -DF 34 58A 2 -36,-2.8 -36,-2.3 -2,-0.4 2,-0.6 -0.950 8.4-154.7-112.1 125.8 15.4 23.7 7.5 71 74 A L E -DF 33 57A 5 -14,-2.8 -14,-2.3 -2,-0.5 2,-0.3 -0.883 18.1-173.3-101.2 117.8 12.1 22.3 8.8 72 75 A I E -DF 32 56A 0 -40,-2.7 -40,-2.8 -2,-0.6 2,-0.5 -0.842 21.6-143.7-116.8 146.0 9.2 24.7 8.5 73 76 A T E -DF 31 55A 48 -18,-2.2 -19,-3.0 -2,-0.3 -18,-1.0 -0.923 28.3-146.7-103.8 132.2 5.5 24.6 9.7 74 77 A L E - F 0 53A 2 -44,-2.6 2,-1.3 -2,-0.5 -21,-0.2 -0.725 17.7-131.3-110.7 149.0 3.1 26.2 7.2 75 78 A D + 0 0 73 -23,-2.6 -23,-0.5 -2,-0.3 2,-0.4 -0.736 58.0 158.9 -92.5 82.9 -0.1 28.2 7.4 76 79 A T - 0 0 42 -2,-1.3 2,-1.1 2,-0.1 -2,-0.0 -0.889 57.1-134.3-130.6 155.7 -2.0 26.1 5.0 77 80 A N S S+ 0 0 143 -2,-0.4 2,-0.2 2,-0.0 -2,-0.1 -0.682 88.9 17.1-102.3 73.4 -5.2 25.1 3.7 78 81 A E S S- 0 0 152 -2,-1.1 2,-0.3 2,-0.0 -2,-0.1 -0.733 78.6-103.0 148.9 168.5 -4.6 21.4 3.5 79 82 A K - 0 0 123 -2,-0.2 -49,-0.2 -49,-0.1 2,-0.1 -0.959 31.6-113.7-119.2 143.7 -2.2 18.8 4.7 80 83 A F B -H 29 0B 30 -51,-3.4 -51,-0.9 -2,-0.3 -69,-0.1 -0.463 40.8 -99.3 -68.1 143.5 0.6 17.1 2.8 81 84 A R - 0 0 60 -71,-0.8 2,-0.7 -53,-0.2 -1,-0.1 -0.403 47.8-106.4 -58.1 142.2 0.3 13.4 2.1 82 85 A D + 0 0 76 1,-0.1 -54,-0.2 -54,-0.1 3,-0.2 -0.675 49.4 161.5 -85.8 114.5 2.3 11.6 4.7 83 86 A I >> + 0 0 0 -56,-2.8 3,-2.3 -2,-0.7 4,-0.6 0.199 36.6 114.3-118.0 14.9 5.6 10.2 3.3 84 87 A T G >4 S+ 0 0 27 -57,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.817 76.6 59.6 -56.2 -30.2 7.6 9.6 6.5 85 88 A K G 34 S+ 0 0 140 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.613 99.2 56.8 -75.1 -12.0 7.5 5.8 5.7 86 89 A F G <4 S+ 0 0 45 -3,-2.3 68,-3.1 67,-0.1 -1,-0.2 0.553 92.7 83.0 -93.2 -9.9 9.2 6.4 2.4 87 90 A I S << S- 0 0 0 -3,-0.9 68,-0.1 -4,-0.6 86,-0.1 -0.837 88.1-120.1 -94.3 127.2 12.1 8.1 4.2 88 91 A P - 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