==== 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 3QZR . 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 . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 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 . 150 42.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 36 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 1 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 . 2 2 4 6 6 6 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 4 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 1 A G > 0 0 82 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -64.1 17.4 -18.0 1.6 2 2 A P H > + 0 0 96 0, 0.0 4,-2.0 0, 0.0 153,-0.3 0.845 360.0 47.7 -56.2 -36.6 13.7 -18.8 2.0 3 3 A S H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 152,-0.1 0.910 115.5 40.4 -70.6 -50.1 12.9 -15.5 3.9 4 4 A L H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 116.0 54.2 -68.5 -34.3 14.7 -13.1 1.6 5 5 A D H X S+ 0 0 104 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.897 105.5 52.0 -66.5 -41.4 13.4 -15.1 -1.3 6 6 A F H X S+ 0 0 23 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.917 108.6 51.9 -59.7 -44.1 9.8 -14.8 0.0 7 7 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.926 107.6 51.8 -60.0 -43.9 10.3 -11.0 0.3 8 8 A L H X S+ 0 0 55 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.921 108.6 50.4 -63.1 -39.7 11.5 -10.8 -3.3 9 9 A S H X S+ 0 0 43 -4,-2.1 4,-1.8 1,-0.2 5,-0.3 0.927 110.5 50.2 -62.7 -41.5 8.5 -12.7 -4.7 10 10 A L H X>S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.5 0.905 103.9 59.5 -64.4 -41.3 6.1 -10.5 -2.8 11 11 A L H X5S+ 0 0 12 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.947 108.4 44.3 -52.2 -50.2 7.8 -7.4 -4.2 12 12 A R H <5S+ 0 0 182 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 123.8 30.0 -66.3 -42.8 7.0 -8.4 -7.8 13 13 A R H <5S+ 0 0 126 -4,-1.8 71,-0.5 1,-0.1 -1,-0.2 0.684 134.4 17.9 -93.0 -20.2 3.4 -9.5 -7.5 14 14 A N H <5S+ 0 0 0 -4,-2.5 15,-3.1 -5,-0.3 2,-0.5 0.396 97.1 85.3-138.5 0.3 2.1 -7.3 -4.6 15 15 A V E << -A 28 0A 1 -4,-1.4 2,-0.3 -5,-0.5 13,-0.2 -0.962 51.7-179.6-118.7 128.5 4.2 -4.2 -3.8 16 16 A R E -A 27 0A 30 11,-2.5 11,-2.5 -2,-0.5 2,-0.4 -0.935 29.3-117.8-131.9 149.5 3.7 -1.0 -5.8 17 17 A Q E +A 26 0A 30 -2,-0.3 33,-2.4 9,-0.2 2,-0.3 -0.711 40.7 175.5 -82.1 128.7 5.1 2.5 -5.9 18 18 A V E -AB 25 49A 3 7,-2.5 7,-2.3 -2,-0.4 2,-0.4 -0.911 20.1-160.6-133.3 159.7 2.5 5.2 -5.1 19 19 A Q E +AB 24 48A 69 29,-2.1 29,-2.3 -2,-0.3 5,-0.2 -0.988 12.3 171.2-138.5 132.1 2.3 9.0 -4.7 20 20 A T E > -A 23 0A 11 3,-2.4 3,-1.9 -2,-0.4 22,-0.1 -0.662 57.9 -85.2-117.0-176.5 -0.4 11.0 -2.9 21 21 A D T 3 S+ 0 0 165 21,-0.3 3,-0.1 1,-0.3 21,-0.1 0.694 129.9 60.7 -64.5 -15.1 -0.4 14.7 -2.1 22 22 A Q T 3 S- 0 0 91 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.522 116.9-106.1 -87.9 -7.2 1.5 13.7 1.1 23 23 A G E < -A 20 0A 20 -3,-1.9 -3,-2.4 18,-0.2 2,-0.4 -0.858 58.2 -13.6 124.9-156.3 4.4 12.2 -0.9 24 24 A H E +A 19 0A 33 -2,-0.3 2,-0.3 -5,-0.2 123,-0.2 -0.740 58.8 166.5 -95.9 135.7 5.8 8.9 -1.9 25 25 A F E -A 18 0A 9 -7,-2.3 -7,-2.5 -2,-0.4 2,-0.4 -0.951 35.8-117.7-141.5 159.3 4.8 5.6 -0.3 26 26 A T E -A 17 0A 0 121,-1.9 2,-0.4 -2,-0.3 -9,-0.2 -0.815 31.8-155.3 -92.5 138.9 5.0 1.9 -0.7 27 27 A M E -A 16 0A 0 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.6 -0.968 7.5-145.5-119.9 133.5 1.6 0.1 -1.2 28 28 A L E -AC 15 36A 0 8,-1.7 8,-2.3 -2,-0.4 2,-0.5 -0.878 11.4-148.8 -95.2 116.1 0.8 -3.5 -0.4 29 29 A G E - C 0 35A 0 -15,-3.1 6,-0.3 -2,-0.6 3,-0.1 -0.737 18.0-178.7 -79.2 127.8 -1.8 -5.1 -2.8 30 30 A V E - 0 0 0 4,-2.7 56,-2.5 -2,-0.5 57,-0.5 0.874 55.8 -24.7-100.5 -50.1 -3.7 -7.6 -0.8 31 31 A R E > S- C 0 34A 83 3,-1.5 3,-2.3 54,-0.2 -1,-0.2 -0.820 104.4 -33.1-170.3 130.2 -6.2 -9.3 -3.1 32 32 A D B 3 S-G 83 0B 81 51,-2.4 51,-2.7 1,-0.3 52,-0.0 -0.402 128.5 -16.5 56.4-117.3 -8.0 -8.3 -6.3 33 33 A R T 3 S+ 0 0 98 -2,-0.2 44,-2.6 49,-0.2 2,-0.4 0.330 111.9 107.7-100.6 8.4 -8.5 -4.5 -6.1 34 34 A L E < +CD 31 76A 21 -3,-2.3 -4,-2.7 42,-0.2 -3,-1.5 -0.737 40.4 161.9 -93.1 130.3 -7.9 -4.2 -2.3 35 35 A A E -CD 29 75A 0 40,-2.6 40,-2.6 -2,-0.4 2,-0.4 -0.879 27.0-132.5-138.3 169.0 -4.7 -2.6 -1.0 36 36 A V E +CD 28 74A 1 -8,-2.3 -8,-1.7 -2,-0.3 38,-0.2 -0.982 21.4 173.6-131.5 143.3 -3.4 -1.1 2.2 37 37 A L E - D 0 73A 0 36,-2.3 36,-2.8 -2,-0.4 2,-0.1 -0.935 43.2 -85.9-135.1 158.5 -1.5 2.1 2.8 38 38 A P E > - D 0 72A 3 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.462 38.1-125.6 -62.0 140.4 -0.3 4.1 5.9 39 39 A R G > S+ 0 0 63 32,-2.3 3,-2.2 1,-0.3 33,-0.2 0.871 107.9 66.5 -51.1 -41.7 -3.1 6.3 7.2 40 40 A H G 3 S+ 0 0 111 31,-0.4 -1,-0.3 1,-0.3 32,-0.1 0.692 84.6 71.3 -61.9 -19.5 -0.7 9.3 7.0 41 41 A S G < S- 0 0 0 -3,-1.7 -19,-0.6 -20,-0.0 -1,-0.3 0.733 86.4-156.7 -69.2 -20.9 -0.6 9.0 3.2 42 42 A Q < - 0 0 114 -3,-2.2 -21,-0.3 -4,-0.3 -2,-0.1 0.902 10.0-148.7 45.9 60.9 -4.1 10.3 3.1 43 43 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.296 14.6-160.1 -60.0 139.9 -5.1 8.9 -0.3 44 44 A G - 0 0 40 2,-0.6 3,-0.0 0, 0.0 12,-0.0 -0.081 43.3 -67.5-101.3-156.5 -7.7 11.0 -2.1 45 45 A K S S+ 0 0 166 1,-0.1 11,-2.8 10,-0.1 2,-0.3 0.729 124.0 34.1 -71.2 -24.5 -10.1 10.3 -5.0 46 46 A T E S- E 0 55A 79 9,-0.2 -2,-0.6 2,-0.0 2,-0.3 -0.988 70.6-175.7-130.2 143.1 -7.1 9.8 -7.3 47 47 A I E - E 0 54A 2 7,-2.2 7,-2.7 -2,-0.3 2,-0.5 -0.975 26.9-120.7-134.9 149.2 -3.7 8.3 -6.6 48 48 A W E +BE 19 53A 110 -29,-2.3 -29,-2.1 -2,-0.3 2,-0.4 -0.794 32.7 177.5 -88.0 128.6 -0.6 7.9 -8.6 49 49 A I E > -BE 18 52A 16 3,-3.0 3,-1.6 -2,-0.5 -31,-0.2 -0.970 69.4 -24.8-131.5 114.2 0.4 4.2 -8.9 50 50 A E T 3 S- 0 0 81 -33,-2.4 -32,-0.1 -2,-0.4 3,-0.1 0.891 127.3 -47.0 54.0 43.8 3.4 3.3 -11.0 51 51 A H T 3 S+ 0 0 130 1,-0.2 2,-0.4 -34,-0.1 -1,-0.3 0.564 119.1 103.6 73.1 15.3 3.2 6.5 -13.2 52 52 A K E < S-E 49 0A 116 -3,-1.6 -3,-3.0 2,-0.0 2,-0.5 -0.974 70.9-126.1-123.8 142.4 -0.6 6.1 -13.8 53 53 A L E -E 48 0A 94 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.755 32.9-169.6 -83.9 128.5 -3.4 8.1 -12.2 54 54 A V E -E 47 0A 10 -7,-2.7 -7,-2.2 -2,-0.5 2,-0.2 -0.972 20.6-123.6-127.4 132.1 -5.9 5.7 -10.7 55 55 A N E -E 46 0A 71 23,-0.5 23,-2.8 -2,-0.4 2,-0.6 -0.517 21.4-137.9 -70.8 141.0 -9.4 6.3 -9.4 56 56 A V E -F 77 0A 7 -11,-2.8 21,-0.2 21,-0.2 3,-0.1 -0.903 14.4-170.1-103.6 116.0 -10.0 5.3 -5.8 57 57 A L E S- 0 0 78 19,-2.2 2,-0.3 -2,-0.6 20,-0.2 0.845 71.6 -4.1 -73.3 -35.1 -13.4 3.6 -5.4 58 58 A D E -F 76 0A 86 18,-1.2 18,-2.3 2,-0.0 2,-0.3 -0.978 55.3-169.7-157.2 146.3 -13.3 3.5 -1.6 59 59 A A E +F 75 0A 46 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.971 12.9 178.5-144.0 128.4 -10.9 4.4 1.2 60 60 A V E -F 74 0A 65 14,-2.7 14,-2.9 -2,-0.3 2,-0.3 -0.993 29.8-128.3-134.3 126.4 -11.5 3.4 4.9 61 61 A E E -F 73 0A 84 -2,-0.4 12,-0.2 12,-0.2 2,-0.1 -0.568 47.8-101.6 -67.6 133.8 -9.4 4.0 7.9 62 62 A L + 0 0 14 10,-2.4 8,-0.5 -2,-0.3 2,-0.3 -0.373 47.3 175.8 -67.9 133.4 -9.1 0.6 9.5 63 63 A V + 0 0 110 -2,-0.1 2,-0.2 115,-0.1 6,-0.1 -0.989 2.7 169.1-134.0 142.8 -11.3 -0.1 12.6 64 64 A D > - 0 0 21 -2,-0.3 3,-1.6 4,-0.3 4,-0.1 -0.714 54.6 -69.6-136.6-167.3 -11.8 -3.2 14.7 65 65 A E T 3 S+ 0 0 34 1,-0.3 246,-0.2 -2,-0.2 205,-0.0 0.630 123.7 62.2 -67.0 -16.3 -13.4 -4.3 17.9 66 66 A Q T 3 S- 0 0 27 2,-0.1 -1,-0.3 244,-0.1 3,-0.1 0.700 96.8-139.1 -80.4 -19.4 -10.9 -2.5 20.1 67 67 A G < + 0 0 69 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.899 54.6 133.2 63.9 41.7 -12.0 0.9 18.6 68 68 A V - 0 0 25 -4,-0.1 2,-0.3 -6,-0.0 -4,-0.3 -0.817 65.1 -95.5-121.3 156.2 -8.4 2.2 18.3 69 69 A N + 0 0 27 -2,-0.3 64,-2.4 1,-0.1 -6,-0.1 -0.628 34.0 179.0 -69.9 128.9 -6.3 3.9 15.7 70 70 A L - 0 0 3 -8,-0.5 -1,-0.1 -2,-0.3 62,-0.1 0.345 39.0-124.1-116.2 0.3 -4.2 1.4 13.8 71 71 A A S S+ 0 0 8 1,-0.2 -32,-2.3 -9,-0.2 -31,-0.4 0.639 73.0 110.1 70.9 20.1 -2.5 3.8 11.4 72 72 A L E -D 38 0A 2 -34,-0.3 -10,-2.4 -10,-0.2 2,-0.4 -0.926 49.9-158.1-127.2 149.2 -3.6 2.0 8.2 73 73 A T E -DF 37 61A 8 -36,-2.8 -36,-2.3 -2,-0.3 2,-0.4 -0.997 11.3-146.5-127.2 129.1 -6.1 2.8 5.4 74 74 A L E -DF 36 60A 30 -14,-2.9 -14,-2.7 -2,-0.4 2,-0.4 -0.802 21.4-172.9 -90.7 134.9 -7.7 0.2 3.2 75 75 A I E -DF 35 59A 1 -40,-2.6 -40,-2.6 -2,-0.4 2,-0.5 -0.964 21.2-149.4-132.1 146.3 -8.4 1.2 -0.4 76 76 A T E -DF 34 58A 37 -18,-2.3 -19,-2.2 -2,-0.4 -18,-1.2 -0.975 25.1-147.3-111.3 124.1 -10.2 -0.3 -3.3 77 77 A L E - F 0 56A 4 -44,-2.6 2,-1.5 -2,-0.5 -21,-0.2 -0.710 15.0-130.6 -98.1 142.4 -8.7 0.7 -6.6 78 78 A D + 0 0 78 -23,-2.8 -23,-0.5 -2,-0.3 2,-0.3 -0.667 65.1 127.5 -88.0 82.6 -10.5 1.2 -9.9 79 79 A T S S- 0 0 32 -2,-1.5 -2,-0.0 2,-0.2 -25,-0.0 -0.948 70.1-131.7-140.4 156.4 -8.1 -0.9 -11.9 80 80 A N S S+ 0 0 151 -2,-0.3 -1,-0.1 2,-0.0 2,-0.0 0.765 82.6 99.5 -70.3 -31.2 -7.9 -3.8 -14.3 81 81 A E - 0 0 74 -48,-0.1 2,-0.5 1,-0.1 -2,-0.2 -0.320 57.1-162.5 -62.9 139.1 -5.1 -5.3 -12.1 82 82 A K - 0 0 110 -49,-0.1 -49,-0.2 -53,-0.0 3,-0.1 -0.946 16.8-135.9-123.4 109.2 -6.1 -8.1 -9.7 83 83 A F B -G 32 0B 5 -51,-2.7 -51,-2.4 -2,-0.5 -49,-0.1 -0.360 26.1-105.5 -62.3 138.9 -3.5 -8.7 -6.9 84 84 A R - 0 0 80 -71,-0.5 2,-0.7 -53,-0.2 -1,-0.1 -0.382 46.0-104.3 -55.7 134.6 -2.7 -12.2 -6.1 85 85 A D + 0 0 79 1,-0.2 3,-0.3 -54,-0.1 -54,-0.2 -0.575 47.0 169.9 -72.9 111.2 -4.4 -13.0 -2.8 86 86 A I > + 0 0 0 -56,-2.5 3,-1.9 -2,-0.7 4,-0.3 0.270 44.5 108.3-104.5 11.4 -1.8 -12.9 -0.1 87 87 A T G > + 0 0 19 -57,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.813 69.7 65.6 -60.5 -28.6 -4.1 -13.0 2.8 88 88 A K G 3 S+ 0 0 171 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.707 99.7 53.6 -65.8 -19.1 -3.1 -16.6 3.6 89 89 A F G < S+ 0 0 73 -3,-1.9 68,-2.4 2,-0.1 -1,-0.3 0.460 90.6 87.9 -91.2 -5.4 0.4 -15.3 4.4 90 90 A I S < S- 0 0 0 -3,-1.7 68,-0.1 -4,-0.3 86,-0.1 -0.838 83.9-123.4 -93.1 127.2 -1.0 -12.7 6.9 91 91 A P - 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