==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-12 4FVB . COMPND 2 MOLECULE: 2A PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR Q.CAI,Y.MUHAMMAD,W.LIU,Z.GAO,X.PENG,Y.CAI,C.WU,Q.ZHENG,J.LI, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 37.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 . 13 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 7 A S 0 0 148 0, 0.0 2,-0.9 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 -17.4 -9.4 20.1 -9.8 2 8 A G + 0 0 18 104,-0.1 11,-0.5 102,-0.1 2,-0.3 -0.575 360.0 101.2 -86.7 56.4 -8.1 18.6 -12.9 3 9 A A - 0 0 2 -2,-0.9 2,-0.5 9,-0.1 9,-0.2 -0.989 69.5-132.8-142.7 146.8 -4.9 20.6 -12.3 4 10 A I E -A 11 0A 0 7,-2.6 7,-3.2 -2,-0.3 2,-0.6 -0.902 19.7-160.7 -98.2 131.3 -1.4 19.9 -10.9 5 11 A Y E +A 10 0A 81 -2,-0.5 40,-2.5 5,-0.2 2,-0.4 -0.926 23.6 157.1-114.8 104.6 -0.3 22.5 -8.3 6 12 A V E > -A 9 0A 0 3,-1.4 3,-2.2 -2,-0.6 40,-0.1 -0.991 63.6 -33.8-129.0 129.3 3.5 22.5 -7.8 7 13 A G T 3 S- 0 0 13 -2,-0.4 36,-2.3 38,-0.4 38,-0.1 -0.366 125.8 -29.6 62.4-140.7 5.5 25.4 -6.5 8 14 A N T 3 S+ 0 0 77 34,-0.2 31,-2.4 129,-0.1 2,-0.3 -0.204 119.5 105.7 -97.0 40.8 3.8 28.6 -7.7 9 15 A F E < -AB 6 38A 48 -3,-2.2 -3,-1.4 29,-0.2 2,-0.5 -0.931 52.3-161.5-123.8 146.2 2.6 26.7 -10.9 10 16 A R E -AB 5 37A 42 27,-2.5 27,-2.3 -2,-0.3 2,-0.5 -0.995 15.5-159.7-123.1 121.1 -0.8 25.3 -12.0 11 17 A V E +AB 4 36A 0 -7,-3.2 -7,-2.6 -2,-0.5 2,-0.3 -0.948 20.9 161.4-110.8 124.8 -0.5 22.7 -14.7 12 18 A V E - B 0 35A 3 23,-2.8 23,-2.6 -2,-0.5 2,-0.3 -0.865 49.7 -83.8-134.1 160.5 -3.6 22.1 -16.9 13 19 A N E > - B 0 34A 0 -11,-0.5 3,-1.8 -2,-0.3 4,-0.4 -0.587 41.2-134.4 -56.4 128.7 -4.7 20.6 -20.2 14 20 A R G > S+ 0 0 63 19,-1.2 3,-1.4 -2,-0.3 -1,-0.2 0.874 105.9 58.5 -58.8 -35.8 -4.1 23.5 -22.7 15 21 A H G 3 S+ 0 0 43 1,-0.3 -1,-0.3 18,-0.2 19,-0.1 0.601 110.3 43.6 -71.2 -10.1 -7.6 22.7 -24.2 16 22 A L G < S+ 0 0 76 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.290 83.7 132.0-108.5 0.7 -9.1 23.3 -20.7 17 23 A A < - 0 0 23 -3,-1.4 2,-0.2 -4,-0.4 -3,-0.0 -0.119 50.0-134.2 -56.9 153.3 -7.2 26.4 -19.7 18 24 A T > - 0 0 63 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.561 24.8-106.4-100.6 170.4 -9.3 29.4 -18.3 19 25 A H H > S+ 0 0 174 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.913 125.4 55.8 -60.7 -39.8 -8.9 33.0 -19.4 20 26 A N H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 103.4 56.2 -62.3 -37.2 -7.2 33.6 -16.0 21 27 A D H 4 S+ 0 0 1 1,-0.2 3,-0.4 2,-0.2 17,-0.3 0.948 110.4 43.3 -52.2 -52.8 -4.7 30.8 -17.0 22 28 A W H >< S+ 0 0 98 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.812 109.4 57.4 -63.2 -35.6 -3.8 32.7 -20.1 23 29 A A H 3< S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 118.1 34.3 -67.1 -26.0 -3.7 36.0 -18.2 24 30 A N T 3< S+ 0 0 66 -4,-1.7 14,-2.6 -3,-0.4 -1,-0.3 -0.145 90.1 165.6-118.8 40.4 -1.1 34.5 -16.0 25 31 A L E < +C 37 0A 69 -3,-1.3 12,-0.2 12,-0.2 -3,-0.1 -0.347 16.5 165.9 -63.3 134.2 0.6 32.3 -18.6 26 32 A V E - 0 0 58 10,-2.8 2,-0.3 1,-0.4 11,-0.2 0.664 69.5 -19.6-104.9 -40.4 4.0 30.8 -17.8 27 33 A W E -C 36 0A 69 9,-2.2 9,-3.8 2,-0.0 -1,-0.4 -0.938 58.2-179.1-172.0 139.2 4.3 28.2 -20.6 28 34 A E E -C 35 0A 68 -2,-0.3 2,-0.3 7,-0.3 7,-0.2 -0.996 7.1-172.2-151.5 155.1 2.2 26.3 -23.1 29 35 A D E > > -C 34 0A 44 5,-2.8 5,-2.2 -2,-0.3 3,-0.9 -0.849 10.1-167.1-153.9 105.8 2.6 23.7 -25.8 30 36 A S G > 5S+ 0 0 45 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.805 90.9 63.2 -55.2 -42.1 -0.2 22.6 -28.2 31 37 A S G 3 5S+ 0 0 49 1,-0.3 59,-1.9 58,-0.1 -1,-0.2 0.707 114.4 33.8 -63.2 -18.7 1.8 19.6 -29.4 32 38 A R G < 5S- 0 0 10 -3,-0.9 -1,-0.3 57,-0.2 -2,-0.2 0.477 104.6-124.9-104.5 -7.4 1.6 18.3 -25.8 33 39 A D T < 5 + 0 0 1 -3,-0.9 -19,-1.2 -4,-0.4 2,-0.4 0.855 68.3 134.1 55.5 38.6 -1.9 19.6 -24.8 34 40 A L E < +BC 13 29A 0 -5,-2.2 -5,-2.8 -21,-0.3 2,-0.4 -0.944 32.6 175.7-118.9 143.4 -0.2 21.4 -21.8 35 41 A L E -BC 12 28A 0 -23,-2.6 -23,-2.8 -2,-0.4 2,-0.4 -0.995 9.6-163.5-141.2 138.2 -0.4 24.8 -20.3 36 42 A V E -BC 11 27A 0 -9,-3.8 -10,-2.8 -2,-0.4 -9,-2.2 -0.980 10.8-176.2-121.4 135.1 1.2 26.1 -17.1 37 43 A S E -BC 10 25A 3 -27,-2.3 -27,-2.5 -2,-0.4 -12,-0.2 -0.854 28.3 -97.3-129.3 162.4 0.1 29.3 -15.4 38 44 A S E -B 9 0A 60 -14,-2.6 2,-0.3 -2,-0.3 -29,-0.2 -0.523 35.1-159.8 -78.9 142.9 1.4 31.3 -12.3 39 45 A T - 0 0 40 -31,-2.4 4,-0.1 -2,-0.2 3,-0.0 -0.827 23.0-145.6-123.7 163.7 -0.2 31.0 -8.8 40 46 A T S S+ 0 0 147 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.818 85.7 56.8 -88.0 -36.4 -0.3 33.1 -5.7 41 47 A A S S- 0 0 65 1,-0.1 2,-0.1 -33,-0.0 -1,-0.1 -0.753 91.0-106.8-106.1 140.4 -0.2 30.2 -3.3 42 48 A Q - 0 0 138 -2,-0.3 -34,-0.2 -34,-0.1 2,-0.1 -0.377 40.7-130.1 -58.3 132.6 2.4 27.4 -3.0 43 49 A G - 0 0 16 -36,-2.3 -36,-0.4 -2,-0.1 -37,-0.1 -0.394 2.8-136.6 -90.5 167.9 1.0 24.0 -4.3 44 50 A C S S+ 0 0 130 -39,-0.1 -38,-0.2 -38,-0.1 2,-0.2 0.495 70.3 94.9-100.7 -7.1 1.0 20.5 -2.6 45 51 A D - 0 0 32 -40,-2.5 -38,-0.4 -38,-0.1 2,-0.4 -0.483 54.0-155.9 -90.7 158.2 2.0 18.3 -5.5 46 52 A T - 0 0 77 -2,-0.2 68,-3.4 -40,-0.1 2,-0.4 -0.980 22.3-119.4-127.4 141.5 5.5 17.0 -6.4 47 53 A I B -d 114 0B 2 -2,-0.4 2,-0.2 66,-0.2 68,-0.2 -0.705 33.8-110.2 -82.9 130.5 6.6 15.9 -9.9 48 54 A A - 0 0 0 66,-3.0 2,-1.0 -2,-0.4 65,-0.2 -0.375 23.1-160.5 -60.6 121.6 7.8 12.3 -10.1 49 55 A R + 0 0 129 63,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.585 62.0 80.0-101.3 69.7 11.5 12.1 -10.8 50 56 A C S S- 0 0 24 -2,-1.0 82,-0.0 2,-0.1 -2,-0.0 -0.917 83.0-116.2-155.4 175.6 11.5 8.5 -12.1 51 57 A N + 0 0 132 -2,-0.3 -2,-0.0 21,-0.0 64,-0.0 -0.131 52.8 159.7-113.7 36.7 10.7 6.5 -15.2 52 58 A C - 0 0 26 1,-0.1 -2,-0.1 2,-0.0 -4,-0.0 -0.303 24.1-170.5 -56.4 142.2 7.7 4.5 -13.6 53 59 A Q + 0 0 39 19,-0.0 17,-2.3 2,-0.0 2,-0.3 0.120 67.1 59.0-123.6 25.1 5.3 3.0 -16.1 54 60 A T E +E 69 0B 86 15,-0.2 2,-0.3 2,-0.0 15,-0.2 -0.962 63.8 125.8-142.7 151.3 2.5 1.9 -13.7 55 61 A G E -E 68 0B 13 13,-2.0 13,-3.1 -2,-0.3 2,-0.4 -0.922 51.3 -85.2-177.1-164.7 0.5 4.2 -11.4 56 62 A V E -EF 67 109B 64 53,-2.6 53,-2.6 11,-0.3 2,-0.3 -0.998 33.3-173.3-135.5 135.8 -2.9 5.3 -10.4 57 63 A Y E -EF 66 108B 4 9,-2.3 9,-2.7 -2,-0.4 2,-0.6 -0.873 27.0-114.2-124.0 166.4 -5.1 8.0 -12.0 58 64 A Y E -E 65 0B 74 49,-1.3 2,-0.7 -2,-0.3 7,-0.3 -0.843 23.3-151.6 -97.7 124.6 -8.5 9.6 -11.1 59 65 A C E >> -E 64 0B 0 5,-3.5 4,-1.2 -2,-0.6 5,-1.2 -0.854 4.3-163.2 -93.6 113.1 -11.3 8.9 -13.6 60 66 A N T 45S+ 0 0 50 -2,-0.7 3,-0.5 43,-0.3 -1,-0.2 0.927 87.3 51.4 -62.2 -50.4 -13.8 11.8 -13.7 61 67 A S T 45S+ 0 0 44 1,-0.2 -1,-0.2 39,-0.2 38,-0.1 0.816 122.0 33.7 -57.7 -33.1 -16.7 10.0 -15.4 62 68 A R T 45S- 0 0 120 2,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.525 96.6-137.3 -97.1 -11.0 -16.4 7.2 -12.8 63 69 A R T <5 + 0 0 209 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.880 66.9 111.7 48.7 44.6 -15.4 9.3 -9.8 64 70 A K E < -E 59 0B 128 -5,-1.2 -5,-3.5 -7,-0.0 2,-0.4 -0.963 69.9-121.0-139.0 156.3 -12.8 6.5 -8.9 65 71 A H E -E 58 0B 126 -2,-0.3 -7,-0.2 -7,-0.3 -9,-0.0 -0.789 33.2-162.9 -89.0 139.3 -9.1 6.1 -8.8 66 72 A Y E -E 57 0B 59 -9,-2.7 -9,-2.3 -2,-0.4 2,-0.2 -0.989 19.7-124.2-126.8 140.4 -7.8 3.2 -11.1 67 73 A P E -E 56 0B 111 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.536 40.9-174.4 -73.1 143.9 -4.5 1.4 -11.1 68 74 A V E -E 55 0B 14 -13,-3.1 -13,-2.0 -2,-0.2 2,-0.5 -0.997 30.7-148.6-143.6 148.7 -2.9 1.6 -14.6 69 75 A S E -E 54 0B 84 -2,-0.3 27,-0.5 27,-0.3 2,-0.3 -0.970 30.0-174.6-109.5 130.6 0.0 0.4 -16.9 70 76 A F - 0 0 9 -17,-2.3 25,-0.2 -2,-0.5 57,-0.1 -0.892 22.3-113.0-132.8 147.5 1.1 2.9 -19.5 71 77 A S - 0 0 51 23,-2.2 3,-0.1 -2,-0.3 -1,-0.0 -0.266 45.5 -85.8 -75.0 157.5 3.6 2.9 -22.4 72 78 A K - 0 0 128 1,-0.1 22,-0.2 21,-0.1 -1,-0.1 -0.435 64.3 -81.0 -58.1 147.3 6.7 5.1 -22.5 73 79 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.195 66.5 164.1 -59.4 137.8 6.0 8.7 -23.9 74 80 A S E -G 92 0B 56 18,-1.7 18,-2.2 -3,-0.1 2,-0.6 -0.911 46.7 -90.0-142.1 172.6 5.9 8.7 -27.7 75 81 A L E - 0 0 115 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.821 50.2-175.4 -87.7 121.7 4.8 10.7 -30.7 76 82 A I E -G 89 0B 46 13,-2.9 13,-2.9 -2,-0.6 2,-0.6 -0.966 27.5-127.4-124.6 128.4 1.2 9.6 -31.4 77 83 A Y E -G 88 0B 128 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.722 30.9-163.9 -73.5 121.0 -1.1 10.6 -34.3 78 84 A V E -G 87 0B 29 9,-3.1 9,-1.8 -2,-0.6 3,-0.1 -0.945 16.0-121.8-112.9 126.7 -4.3 11.9 -32.6 79 85 A E - 0 0 141 -2,-0.5 5,-0.1 7,-0.2 -1,-0.0 -0.137 41.9 -79.2 -61.2 155.1 -7.4 12.3 -34.7 80 86 A A + 0 0 71 3,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.114 55.3 170.5 -47.1 145.2 -9.3 15.6 -35.1 81 87 A S - 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