==== 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/HYDROLASE SUBSTRATE 29-JUN-12 4FVD . 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, . 142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 61.3 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 . 55 38.7 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 2.8 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 . 11 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.8 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 1 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 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 0 144 0, 0.0 105,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 162.4 9.3 19.2 9.1 2 8 A G + 0 0 24 103,-0.4 11,-0.4 1,-0.2 2,-0.3 0.416 360.0 75.4 83.3 1.2 8.4 18.8 12.9 3 9 A A S S- 0 0 3 9,-0.1 2,-0.5 104,-0.0 9,-0.2 -0.975 73.5-127.7-140.1 159.0 5.0 20.6 12.3 4 10 A I E -A 11 0A 0 7,-2.4 7,-3.0 -2,-0.3 2,-0.6 -0.886 21.4-161.9-102.4 127.1 1.5 20.0 10.9 5 11 A Y E +A 10 0A 80 -2,-0.5 40,-2.9 5,-0.2 2,-0.4 -0.941 20.3 161.5-114.0 111.5 0.4 22.6 8.3 6 12 A V E > -AB 9 44A 0 3,-1.5 3,-2.6 -2,-0.6 38,-0.1 -0.993 63.1 -40.3-132.0 130.7 -3.4 22.6 7.8 7 13 A G E 3 S- B 0 43A 12 36,-0.5 36,-2.6 38,-0.4 38,-0.1 -0.275 125.5 -24.2 46.2-133.3 -5.2 25.5 6.3 8 14 A N E 3 S+ 0 0 78 34,-0.2 31,-2.5 129,-0.2 2,-0.3 -0.128 120.1 100.0 -98.8 35.6 -3.6 28.7 7.7 9 15 A F E < -AB 6 38A 47 -3,-2.6 -3,-1.5 29,-0.3 2,-0.4 -0.917 53.3-160.0-120.1 148.5 -2.4 26.8 10.9 10 16 A R E -AB 5 37A 43 27,-2.9 27,-2.4 -2,-0.3 2,-0.5 -0.995 13.8-160.5-123.4 125.3 0.9 25.4 12.0 11 17 A V E +AB 4 36A 0 -7,-3.0 -7,-2.4 -2,-0.4 2,-0.3 -0.936 21.3 159.7-110.7 129.3 0.7 22.7 14.8 12 18 A V E - B 0 35A 3 23,-2.6 23,-2.2 -2,-0.5 2,-0.3 -0.858 50.2 -82.4-140.2 160.3 3.8 22.0 16.8 13 19 A N E > - B 0 34A 0 -11,-0.4 3,-1.8 -2,-0.3 4,-0.4 -0.596 41.5-132.9 -56.2 135.2 4.8 20.6 20.2 14 20 A R G > S+ 0 0 63 19,-1.6 3,-1.6 -2,-0.3 -1,-0.2 0.879 105.5 58.4 -61.0 -39.9 4.4 23.4 22.6 15 21 A H G 3 S+ 0 0 28 1,-0.3 -1,-0.3 18,-0.2 19,-0.1 0.637 109.2 45.1 -68.9 -10.9 7.8 22.7 24.1 16 22 A L G < S+ 0 0 67 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.253 82.8 134.4-108.3 4.3 9.4 23.3 20.7 17 23 A A < - 0 0 22 -3,-1.6 2,-0.2 -4,-0.4 -3,-0.0 -0.184 45.8-136.5 -57.3 151.3 7.5 26.5 19.7 18 24 A T > - 0 0 61 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.546 25.9-103.1-100.9 164.0 9.5 29.4 18.2 19 25 A H H > S+ 0 0 168 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 125.4 53.9 -45.8 -48.6 9.4 33.0 18.8 20 26 A N H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 105.6 55.3 -63.3 -36.7 7.4 33.4 15.5 21 27 A D H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 17,-0.2 0.924 109.4 45.6 -53.7 -47.3 4.9 30.8 16.9 22 28 A W H >< S+ 0 0 106 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.887 109.4 55.4 -68.5 -32.6 4.3 32.8 19.9 23 29 A A H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.865 118.5 35.3 -65.4 -30.7 4.0 36.1 17.8 24 30 A N T 3< S+ 0 0 63 -4,-1.8 14,-2.8 -5,-0.2 -1,-0.3 -0.151 88.8 164.9-116.9 35.8 1.3 34.4 15.8 25 31 A L E < +C 37 0A 72 -3,-1.3 12,-0.2 12,-0.2 -3,-0.1 -0.292 15.7 165.0 -66.4 135.3 -0.3 32.4 18.5 26 32 A V E - 0 0 59 10,-2.9 2,-0.3 1,-0.4 11,-0.2 0.662 68.2 -18.3-106.5 -45.4 -3.8 30.9 17.9 27 33 A W E -C 36 0A 68 9,-2.1 9,-3.6 2,-0.0 -1,-0.4 -0.960 57.1-174.9-163.9 147.0 -4.1 28.4 20.7 28 34 A E E -C 35 0A 70 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.997 6.8-172.1-151.4 148.2 -1.9 26.5 23.1 29 35 A D E >>> -C 34 0A 43 5,-2.7 5,-2.0 -2,-0.3 3,-1.1 -0.834 8.8-170.5-143.9 105.5 -2.3 23.8 25.7 30 36 A S T 345S+ 0 0 45 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.833 90.7 61.5 -60.2 -34.8 0.5 22.7 28.1 31 37 A S T 345S+ 0 0 49 1,-0.2 59,-2.0 58,-0.1 -1,-0.2 0.690 115.0 35.2 -70.2 -15.5 -1.5 19.7 29.3 32 38 A R T <45S- 0 0 11 -3,-1.1 -1,-0.2 57,-0.2 -2,-0.2 0.505 104.1-126.4-105.8 -7.8 -1.4 18.4 25.7 33 39 A D T <5 + 0 0 0 -4,-0.9 -19,-1.6 -3,-0.5 2,-0.3 0.823 68.1 132.8 60.2 34.7 2.1 19.7 24.8 34 40 A L E < +BC 13 29A 0 -5,-2.0 -5,-2.7 -21,-0.3 2,-0.4 -0.919 33.5 176.6-116.6 147.7 0.4 21.4 21.7 35 41 A L E -BC 12 28A 0 -23,-2.2 -23,-2.6 -2,-0.3 2,-0.4 -0.987 10.2-161.8-143.6 140.4 0.6 24.9 20.2 36 42 A V E -BC 11 27A 0 -9,-3.6 -10,-2.9 -2,-0.4 -9,-2.1 -0.983 11.2-176.4-123.7 129.6 -1.1 26.2 17.1 37 43 A S E -BC 10 25A 1 -27,-2.4 -27,-2.9 -2,-0.4 2,-0.3 -0.866 28.7-103.2-120.0 159.9 0.1 29.4 15.3 38 44 A S E -B 9 0A 53 -14,-2.8 2,-0.3 -2,-0.3 -29,-0.3 -0.581 34.1-160.2 -81.3 142.6 -1.2 31.3 12.2 39 45 A T E - 0 0 39 -31,-2.5 4,-0.1 -2,-0.3 -1,-0.0 -0.772 23.2-142.3-120.8 165.3 0.5 31.0 8.9 40 46 A T E S+ 0 0 146 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.758 86.7 60.2 -93.8 -31.5 0.5 33.1 5.8 41 47 A A E S- 0 0 65 1,-0.0 2,-0.3 -33,-0.0 -2,-0.1 -0.666 90.2-110.2 -91.9 153.8 0.5 30.1 3.4 42 48 A Q E - 0 0 136 -2,-0.3 -34,-0.2 -34,-0.1 2,-0.1 -0.650 38.3-129.4 -79.5 134.6 -2.1 27.4 3.1 43 49 A G E -B 7 0A 19 -36,-2.6 -36,-0.5 -2,-0.3 -37,-0.1 -0.461 3.3-137.6 -86.3 166.8 -0.9 24.0 4.3 44 50 A C E +B 6 0A 128 -2,-0.1 -38,-0.2 -38,-0.1 2,-0.1 0.506 68.0 99.5 -97.8 -10.7 -1.0 20.6 2.6 45 51 A D - 0 0 27 -40,-2.9 -38,-0.4 -38,-0.1 2,-0.4 -0.402 53.4-153.4 -87.7 162.6 -2.0 18.4 5.5 46 52 A T - 0 0 76 -40,-0.1 68,-3.8 -2,-0.1 2,-0.5 -0.991 20.1-124.5-127.8 137.8 -5.4 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 -0.712 35.6-111.9 -82.9 122.9 -6.4 16.1 10.0 48 54 A A - 0 0 0 66,-2.5 2,-1.3 -2,-0.5 65,-0.2 -0.386 19.8-154.7 -53.2 121.4 -7.6 12.4 10.1 49 55 A R + 0 0 130 63,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.655 62.4 81.7 -96.0 82.7 -11.4 12.2 10.8 50 56 A C S S- 0 0 22 -2,-1.3 82,-0.0 2,-0.1 -2,-0.0 -0.943 80.7-117.3-164.8 174.7 -11.2 8.7 12.3 51 57 A N + 0 0 127 -2,-0.3 -2,-0.0 21,-0.0 64,-0.0 -0.103 52.6 156.9-117.8 31.4 -10.5 6.5 15.3 52 58 A C - 0 0 26 1,-0.1 -2,-0.1 20,-0.0 3,-0.0 -0.292 25.0-172.6 -53.4 138.6 -7.5 4.6 13.7 53 59 A Q + 0 0 39 19,-0.1 17,-2.6 2,-0.0 2,-0.3 0.063 68.9 62.9-126.1 21.0 -5.1 3.0 16.2 54 60 A T E +E 69 0B 86 15,-0.3 2,-0.3 2,-0.0 15,-0.2 -0.975 62.9 118.8-136.6 146.6 -2.6 1.9 13.6 55 61 A G E -E 68 0B 14 13,-2.5 13,-3.0 -2,-0.3 2,-0.4 -0.920 53.6 -84.6-173.8-159.0 -0.6 4.2 11.3 56 62 A V E -EF 67 109B 61 53,-2.7 53,-2.8 -2,-0.3 2,-0.3 -0.997 33.3-174.0-132.0 135.8 2.9 5.3 10.3 57 63 A Y E -EF 66 108B 4 9,-2.3 9,-2.5 -2,-0.4 2,-0.5 -0.880 26.8-114.4-126.3 163.3 5.1 8.0 11.8 58 64 A Y E -E 65 0B 70 49,-1.3 2,-0.7 -2,-0.3 7,-0.3 -0.793 21.7-151.5 -94.2 128.7 8.5 9.6 10.9 59 65 A C E >> -E 64 0B 0 5,-3.4 4,-1.1 -2,-0.5 5,-1.1 -0.860 2.5-161.7 -97.4 112.8 11.3 9.0 13.3 60 66 A N T 45S+ 0 0 48 -2,-0.7 3,-0.3 43,-0.2 -1,-0.2 0.914 88.3 53.7 -61.5 -38.5 13.8 11.9 13.2 61 67 A S T 45S+ 0 0 42 1,-0.2 -1,-0.2 39,-0.2 38,-0.0 0.798 120.6 31.6 -70.7 -30.4 16.7 10.0 14.9 62 68 A R T 45S- 0 0 120 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.430 96.2-134.8 -98.7 -8.3 16.5 7.1 12.3 63 69 A R T <5 + 0 0 203 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.907 68.4 116.6 48.4 43.2 15.3 9.2 9.3 64 70 A K E < -E 59 0B 123 -5,-1.1 -5,-3.4 2,-0.0 2,-0.4 -0.975 67.3-126.0-137.8 150.9 12.8 6.4 8.7 65 71 A H E -E 58 0B 123 -2,-0.3 -7,-0.2 -7,-0.3 -9,-0.0 -0.799 33.0-166.6 -89.4 137.4 9.0 6.0 8.6 66 72 A Y E -E 57 0B 46 -9,-2.5 -9,-2.3 -2,-0.4 2,-0.2 -0.992 20.7-121.8-129.3 140.1 7.8 3.2 10.9 67 73 A P E -E 56 0B 110 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.479 38.8-175.2 -74.4 146.0 4.5 1.4 11.1 68 74 A V E -E 55 0B 13 -13,-3.0 -13,-2.5 -2,-0.2 2,-0.4 -0.998 29.1-151.9-147.4 144.8 3.0 1.6 14.6 69 75 A S E -E 54 0B 84 -2,-0.3 27,-0.5 -15,-0.2 2,-0.3 -0.973 31.1-177.6-108.8 133.2 -0.0 0.4 16.7 70 76 A F - 0 0 11 -17,-2.6 25,-0.2 -2,-0.4 57,-0.1 -0.927 24.6-103.5-139.7 152.5 -0.9 2.9 19.5 71 77 A S - 0 0 48 23,-2.6 3,-0.1 -2,-0.3 -1,-0.0 -0.162 45.4 -89.7 -69.1 160.5 -3.4 3.1 22.4 72 78 A K - 0 0 118 1,-0.1 22,-0.2 21,-0.1 -1,-0.1 -0.445 64.8 -78.9 -62.4 152.0 -6.6 5.2 22.5 73 79 A P + 0 0 45 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.243 66.7 167.2 -62.3 141.8 -5.9 8.7 23.8 74 80 A S E -G 92 0B 52 18,-1.9 18,-2.2 -3,-0.1 2,-0.6 -0.921 44.4 -95.5-146.2 165.0 -5.6 8.7 27.6 75 81 A L E - 0 0 116 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.797 48.1-176.7 -82.8 126.2 -4.6 10.8 30.6 76 82 A I E -G 89 0B 44 13,-2.5 13,-2.9 -2,-0.6 2,-0.6 -0.968 28.8-126.4-132.1 128.6 -1.0 9.7 31.4 77 83 A Y E -G 88 0B 122 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.736 31.5-162.7 -77.5 118.8 1.2 10.8 34.3 78 84 A V E -G 87 0B 18 9,-3.3 9,-2.3 -2,-0.6 3,-0.1 -0.941 15.1-122.6-108.1 125.6 4.4 12.0 32.7 79 85 A E - 0 0 140 -2,-0.5 5,-0.1 7,-0.2 -1,-0.0 -0.201 41.0 -77.7 -66.0 154.4 7.5 12.5 34.8 80 86 A A + 0 0 65 3,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.019 53.8 166.9 -50.7 147.8 9.4 15.8 35.1 81 87 A S - 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