==== 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/HYDROLASE INHIBITOR 07-MAR-11 3QZQ . COMPND 2 MOLECULE: 3C PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS 71; . AUTHOR J.WANG,T.FAN,X.YAO,Z.WU,L.GUO,X.LEI,J.WANG,M.WANG,Q.JIN,S.CU . 705 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 69.9 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 . 300 42.6 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 28 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 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 . 76 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 1 0 1 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 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 . 4 4 8 12 12 12 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 0 0 0 8 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 5 A D > 0 0 182 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -51.2 65.3 8.2 12.8 2 6 A F H > + 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.897 360.0 50.9 -69.9 -41.0 63.6 7.6 9.5 3 7 A A H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 109.9 51.4 -62.8 -39.7 60.7 9.8 10.3 4 8 A L H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 111.7 44.4 -65.6 -45.4 63.0 12.6 11.4 5 9 A S H X S+ 0 0 40 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.840 112.0 54.4 -70.8 -30.5 65.1 12.6 8.2 6 10 A L H X>S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.6 0.936 108.4 49.3 -64.6 -45.7 61.9 12.4 6.2 7 11 A L H X5S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.938 114.2 45.3 -56.5 -47.8 60.5 15.5 7.9 8 12 A R H <5S+ 0 0 166 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 124.8 28.7 -66.2 -41.9 63.7 17.4 7.3 9 13 A R H <5S+ 0 0 138 -4,-2.2 71,-0.6 -5,-0.1 -1,-0.2 0.608 134.1 17.1 -99.4 -15.1 64.3 16.5 3.7 10 14 A N H <5S+ 0 0 0 -4,-2.3 15,-3.3 -5,-0.2 2,-0.6 0.489 95.5 85.2-141.7 -5.5 60.8 15.9 2.3 11 15 A V E << -A 24 0A 0 -4,-1.2 2,-0.3 -5,-0.6 13,-0.2 -0.923 54.7-177.3-116.7 118.5 57.9 17.3 4.4 12 16 A R E -A 23 0A 42 11,-2.6 11,-2.4 -2,-0.6 2,-0.4 -0.829 28.9-117.7-123.6 148.9 57.0 20.9 3.8 13 17 A Q E +A 22 0A 27 -2,-0.3 33,-2.1 9,-0.2 2,-0.3 -0.684 42.5 173.3 -81.5 126.7 54.6 23.5 5.1 14 18 A V E -AB 21 45A 0 7,-2.5 7,-2.1 -2,-0.4 2,-0.3 -0.893 21.7-160.1-131.8 163.7 52.1 24.8 2.5 15 19 A Q E +AB 20 44A 51 29,-2.1 29,-2.2 -2,-0.3 5,-0.2 -0.980 11.5 172.0-140.2 132.8 49.1 27.0 2.1 16 20 A T E > -A 19 0A 17 3,-2.3 3,-1.4 -2,-0.3 22,-0.1 -0.606 58.0 -85.4-115.9-173.8 46.5 27.1 -0.6 17 21 A D T 3 S+ 0 0 170 21,-0.3 3,-0.1 1,-0.3 21,-0.1 0.690 129.6 61.5 -66.5 -16.7 43.2 29.0 -0.6 18 22 A Q T 3 S- 0 0 105 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.560 116.7-106.7 -86.4 -10.8 41.7 26.1 1.3 19 23 A G E < -A 16 0A 25 -3,-1.4 -3,-2.3 18,-0.2 2,-0.4 -0.879 59.1 -11.4 128.6-155.7 44.1 26.6 4.2 20 24 A H E +A 15 0A 35 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.725 58.3 166.1 -88.6 138.7 47.2 24.9 5.7 21 25 A F E -A 14 0A 11 -7,-2.1 -7,-2.5 -2,-0.4 2,-0.4 -0.940 36.2-117.8-144.8 159.3 48.5 21.5 4.7 22 26 A T E -A 13 0A 0 121,-1.8 2,-0.4 -2,-0.3 -9,-0.2 -0.840 32.2-155.9 -92.9 138.2 51.5 19.3 5.0 23 27 A M E -A 12 0A 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.7 -0.967 6.7-146.2-120.0 132.0 53.1 18.4 1.6 24 28 A L E -AC 11 32A 0 8,-1.8 8,-2.6 -2,-0.4 2,-0.4 -0.871 10.3-148.4 -95.4 115.1 55.2 15.4 0.8 25 29 A G E - C 0 31A 0 -15,-3.3 6,-0.3 -2,-0.7 57,-0.1 -0.704 17.4-178.1 -75.3 129.9 58.0 15.9 -1.7 26 30 A V E - 0 0 0 4,-2.6 56,-2.6 -2,-0.4 57,-0.4 0.887 56.0 -27.7-101.4 -50.6 58.4 12.7 -3.5 27 31 A R E > S- C 0 30A 74 3,-1.5 3,-2.8 54,-0.2 -1,-0.3 -0.893 103.1 -29.5-169.4 140.4 61.3 13.2 -6.0 28 32 A D B 3 S-G 79 0B 87 51,-1.9 51,-2.7 1,-0.3 52,-0.0 -0.259 128.7 -17.7 49.6-114.7 62.8 16.1 -7.9 29 33 A R T 3 S+ 0 0 92 49,-0.2 44,-2.7 -2,-0.1 2,-0.4 0.347 113.2 106.7-102.6 7.4 60.0 18.6 -8.5 30 34 A L E < +CD 27 72A 19 -3,-2.8 -4,-2.6 42,-0.2 -3,-1.5 -0.711 39.9 160.6 -94.0 131.9 57.2 16.1 -7.8 31 35 A A E -CD 25 71A 0 40,-2.5 40,-2.6 -2,-0.4 2,-0.4 -0.919 27.8-131.3-142.2 166.0 55.1 16.3 -4.6 32 36 A V E +CD 24 70A 1 -8,-2.6 -8,-1.8 -2,-0.3 38,-0.2 -0.965 20.7 176.7-128.4 142.4 51.8 15.1 -3.4 33 37 A L E - D 0 69A 0 36,-2.2 36,-2.7 -2,-0.4 2,-0.1 -0.936 42.2 -89.5-133.2 156.9 48.9 16.9 -1.5 34 38 A P E > - D 0 68A 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.477 40.4-123.4 -64.7 143.2 45.5 15.9 -0.4 35 39 A R G > S+ 0 0 27 32,-2.1 3,-2.4 1,-0.3 33,-0.1 0.869 107.2 64.6 -58.5 -38.5 43.0 16.6 -3.2 36 40 A H G 3 S+ 0 0 43 31,-0.3 -1,-0.3 1,-0.3 32,-0.1 0.559 84.4 74.0 -69.8 -5.5 40.8 18.8 -1.0 37 41 A S G < S- 0 0 0 -3,-1.9 -19,-0.6 -20,-0.0 -1,-0.3 0.715 86.9-156.9 -74.2 -20.6 43.7 21.3 -0.7 38 42 A Q < - 0 0 114 -3,-2.4 -21,-0.3 -4,-0.3 -2,-0.1 0.897 7.9-149.2 47.8 58.2 42.9 22.2 -4.3 39 43 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.275 13.1-159.2 -59.1 140.4 46.3 23.7 -5.3 40 44 A G - 0 0 41 2,-0.6 3,-0.0 0, 0.0 12,-0.0 -0.118 43.4 -71.3-101.7-158.0 46.1 26.4 -7.9 41 45 A K S S+ 0 0 175 1,-0.1 11,-2.9 10,-0.1 2,-0.4 0.683 123.8 41.2 -74.6 -18.6 48.7 27.8 -10.3 42 46 A T E S- E 0 51A 82 9,-0.2 -2,-0.6 11,-0.0 2,-0.3 -0.998 71.6-175.5-129.3 135.7 50.5 29.4 -7.3 43 47 A I E - E 0 50A 2 7,-2.4 7,-2.7 -2,-0.4 2,-0.6 -0.963 26.0-123.8-130.4 149.7 51.0 27.8 -4.0 44 48 A W E +BE 15 49A 45 -29,-2.2 -29,-2.1 -2,-0.3 2,-0.5 -0.820 30.9 178.5 -92.9 116.8 52.6 29.1 -0.7 45 49 A I E > -BE 14 48A 22 3,-3.0 3,-1.2 -2,-0.6 -31,-0.2 -0.954 68.8 -31.0-124.5 110.3 55.5 26.9 0.4 46 50 A E T 3 S- 0 0 78 -33,-2.1 -1,-0.1 -2,-0.5 -32,-0.1 0.908 125.6 -43.7 48.1 53.7 57.3 27.9 3.6 47 51 A H T 3 S+ 0 0 128 1,-0.2 2,-0.4 -34,-0.1 -1,-0.3 0.589 119.5 104.1 74.9 12.4 56.7 31.6 3.1 48 52 A K E < -E 45 0A 139 -3,-1.2 -3,-3.0 2,-0.0 2,-0.4 -0.976 69.3-128.7-123.5 138.9 57.5 31.7 -0.6 49 53 A L E -E 44 0A 132 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.759 32.3-169.2 -81.7 131.6 55.1 31.9 -3.5 50 54 A V E -E 43 0A 20 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.2 -0.978 21.2-123.2-129.8 133.3 55.8 29.1 -6.0 51 55 A N E -E 42 0A 71 23,-0.4 23,-2.9 -2,-0.4 2,-0.7 -0.531 21.1-140.8 -72.3 134.6 54.5 28.5 -9.5 52 56 A V E -F 73 0A 12 -11,-2.9 21,-0.2 -2,-0.2 3,-0.1 -0.884 12.1-168.2-100.2 111.9 52.8 25.1 -10.0 53 57 A L E - 0 0 78 19,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.867 69.6 -8.8 -67.0 -39.9 53.8 23.7 -13.4 54 58 A D E -F 72 0A 94 18,-1.0 18,-2.3 2,-0.0 2,-0.4 -0.987 54.3-163.3-158.4 150.3 51.1 20.9 -13.4 55 59 A A E -F 71 0A 45 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.947 11.4-178.5-142.1 120.3 48.6 19.3 -11.1 56 60 A V E -F 70 0A 73 14,-2.7 14,-2.8 -2,-0.4 2,-0.3 -0.974 26.2-129.9-122.9 126.6 47.0 16.0 -11.7 57 61 A E E -F 69 0A 115 -2,-0.5 12,-0.3 12,-0.2 2,-0.3 -0.572 41.4-104.0 -71.1 137.4 44.4 14.3 -9.5 58 62 A L + 0 0 14 10,-3.0 8,-0.7 -2,-0.3 2,-0.4 -0.450 45.9 176.7 -71.9 126.0 45.5 10.8 -8.9 59 63 A V - 0 0 76 -2,-0.3 2,-0.2 6,-0.1 6,-0.1 -0.984 7.5-170.8-130.1 145.4 43.7 8.2 -10.8 60 64 A D > - 0 0 20 4,-0.4 3,-1.7 -2,-0.4 4,-0.1 -0.583 50.0 -75.7-120.7-175.9 44.2 4.4 -11.0 61 65 A E T 3 S+ 0 0 59 1,-0.3 601,-0.1 -2,-0.2 -2,-0.0 0.789 126.9 60.1 -55.6 -29.7 42.9 1.6 -13.1 62 66 A Q T 3 S- 0 0 28 2,-0.1 -1,-0.3 599,-0.0 -3,-0.0 0.751 99.8-135.1 -73.2 -24.4 39.5 1.7 -11.2 63 67 A G < + 0 0 3 -3,-1.7 358,-0.4 1,-0.2 2,-0.3 0.905 57.8 127.9 71.3 42.6 38.9 5.4 -12.2 64 68 A V - 0 0 16 356,-0.1 -4,-0.4 -4,-0.1 2,-0.3 -0.880 67.7 -82.7-127.6 162.2 37.8 6.5 -8.7 65 69 A N + 0 0 34 354,-0.4 64,-2.1 -2,-0.3 -6,-0.1 -0.440 35.4 176.3 -67.8 123.7 38.8 9.3 -6.4 66 70 A L - 0 0 2 -8,-0.7 -1,-0.2 -2,-0.3 3,-0.1 0.415 44.0-124.9-104.8 -3.5 41.9 8.5 -4.3 67 71 A D S S+ 0 0 0 1,-0.2 -32,-2.1 -9,-0.2 2,-0.3 0.743 71.9 114.6 66.8 27.6 41.9 12.0 -2.7 68 72 A L E -D 34 0A 2 -34,-0.3 -10,-3.0 -10,-0.3 2,-0.4 -0.961 46.7-161.8-125.4 148.1 45.5 12.8 -3.8 69 73 A T E -DF 33 57A 6 -36,-2.7 -36,-2.2 -2,-0.3 2,-0.5 -0.994 10.2-147.7-129.9 124.6 46.8 15.3 -6.2 70 74 A L E -DF 32 56A 27 -14,-2.8 -14,-2.7 -2,-0.4 2,-0.4 -0.796 20.8-172.1 -89.3 127.4 50.3 15.2 -7.7 71 75 A I E -DF 31 55A 0 -40,-2.6 -40,-2.5 -2,-0.5 2,-0.5 -0.926 19.4-146.0-122.2 148.9 51.9 18.5 -8.4 72 76 A T E -DF 30 54A 40 -18,-2.3 -19,-1.9 -2,-0.4 -18,-1.0 -0.965 24.4-144.9-111.1 125.3 55.1 19.5 -10.2 73 77 A L E - F 0 52A 2 -44,-2.7 2,-1.9 -2,-0.5 -21,-0.2 -0.748 13.1-131.7-101.8 134.8 56.7 22.6 -8.6 74 78 A D + 0 0 83 -23,-2.9 -23,-0.4 -2,-0.4 2,-0.3 -0.562 63.4 129.5 -80.8 80.2 58.6 25.3 -10.4 75 79 A T - 0 0 39 -2,-1.9 -2,-0.0 2,-0.2 -25,-0.0 -0.907 66.1-136.9-135.7 158.6 61.6 25.3 -8.1 76 80 A N S S+ 0 0 156 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.829 85.1 89.0 -75.6 -39.3 65.4 25.1 -8.1 77 81 A E - 0 0 73 -3,-0.1 2,-0.4 1,-0.0 -2,-0.2 -0.178 65.2-154.0 -58.6 150.6 65.3 22.6 -5.3 78 82 A K - 0 0 118 -49,-0.1 -49,-0.2 -53,-0.0 3,-0.1 -0.980 16.5-127.0-130.4 121.6 65.0 18.9 -6.0 79 83 A F B -G 28 0B 6 -51,-2.7 -51,-1.9 -2,-0.4 -69,-0.1 -0.345 30.3-104.0 -63.5 140.4 63.5 16.5 -3.4 80 84 A R - 0 0 54 -71,-0.6 2,-0.8 -53,-0.2 -1,-0.1 -0.461 45.7-106.4 -56.5 135.7 65.4 13.5 -2.3 81 85 A D + 0 0 81 1,-0.2 3,-0.3 -54,-0.1 -54,-0.2 -0.608 47.7 168.4 -75.1 108.5 63.8 10.6 -4.1 82 86 A I > + 0 0 0 -56,-2.6 3,-1.8 -2,-0.8 4,-0.3 0.259 43.8 107.0-105.6 11.3 61.8 8.7 -1.4 83 87 A T G > S+ 0 0 23 -57,-0.4 3,-1.3 1,-0.3 -1,-0.2 0.774 71.3 64.5 -63.1 -26.1 59.8 6.4 -3.7 84 88 A K G 3 S+ 0 0 146 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.694 99.7 54.5 -69.6 -16.9 62.0 3.4 -2.7 85 89 A F G < S+ 0 0 53 -3,-1.8 68,-2.4 2,-0.1 -1,-0.3 0.452 90.5 88.2 -92.5 -3.8 60.5 3.8 0.8 86 90 A I S < S- 0 0 0 -3,-1.3 68,-0.1 -4,-0.3 86,-0.1 -0.853 87.5-116.8 -95.3 126.9 56.9 3.7 -0.6 87 91 A P - 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0 0 1 3,-1.5 -89,-0.1 -2,-0.2 -80,-0.1 -0.850 67.1 -99.9-125.5 171.0 52.4 23.2 8.7 103 107 A E S S+ 0 0 80 -2,-0.3 -88,-0.1 -89,-0.2 -1,-0.0 0.870 127.5 39.0 -57.5 -35.8 53.0 26.8 9.8 104 108 A H S S+ 0 0 131 1,-0.2 -1,-0.2 37,-0.1 -91,-0.0 0.735 129.2 31.2 -87.1 -25.2 50.4 26.3 12.6 105 109 A M S S- 0 0 53 36,-0.1 -3,-1.5 3,-0.0 3,-0.5 -0.594 86.0-174.1-131.0 71.2 51.5 22.7 13.4 106 110 A P - 0 0 72 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.432 57.4 -18.6 -77.3 138.2 55.2 22.6 12.7 107 111 A S S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -6,-0.2 0.832 84.1 159.8 42.5 63.0 57.3 19.5 12.9 108 112 A M E -H 100 0C 57 -8,-2.8 -8,-3.0 -3,-0.5 2,-0.5 -0.955 27.1-159.7-121.8 139.0 55.0 17.3 14.9 109 113 A F E -H 99 0C 77 -2,-0.4 -10,-0.2 -10,-0.2 -12,-0.0 -0.957 8.2-170.0-115.4 128.7 55.0 13.5 15.2 110 114 A V E -H 98 0C 11 -12,-2.5 -12,-3.1 -2,-0.5 2,-0.7 -0.966 19.5-139.0-124.6 116.9 52.0 11.7 16.4 111 115 A P E +H 97 0C 94 0, 0.0 -14,-0.2 0, 0.0 -16,-0.0 -0.664 26.6 172.8 -70.5 114.2 51.9 8.0 17.3 112 116 A V E - 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