==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-11 3ZZC . COMPND 2 MOLECULE: 3C PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS; . AUTHOR J.TAN,K.ANAND,J.R.MESTERS,R.HILGENFELD . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 43.3 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 22 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 . 3 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 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 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 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 88 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.2 -3.1 19.6 -28.8 2 2 A P H > + 0 0 78 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.915 360.0 66.5 -73.8 -41.0 -6.0 21.7 -27.4 3 3 A A H > S+ 0 0 20 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.896 100.7 53.3 -44.6 -47.7 -7.7 18.9 -25.5 4 4 A F H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.910 109.5 46.2 -50.8 -51.6 -4.6 18.9 -23.3 5 5 A E H X S+ 0 0 141 -4,-0.8 4,-1.8 -3,-0.5 -1,-0.2 0.807 113.3 48.5 -62.4 -40.0 -4.9 22.7 -22.5 6 6 A F H X S+ 0 0 34 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.946 112.4 51.2 -63.1 -48.1 -8.6 22.4 -21.8 7 7 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.3 5,-0.2 0.892 108.3 50.0 -59.0 -42.5 -7.8 19.5 -19.5 8 8 A V H X S+ 0 0 49 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.943 111.3 48.6 -62.8 -44.0 -5.1 21.3 -17.6 9 9 A A H X S+ 0 0 54 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.907 112.7 49.0 -64.3 -40.0 -7.4 24.4 -16.9 10 10 A M H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.5 0.928 114.1 43.6 -63.5 -49.5 -10.2 22.1 -15.8 11 11 A M H X S+ 0 0 6 -4,-2.3 4,-1.5 3,-0.2 -2,-0.2 0.895 112.2 54.3 -65.5 -39.5 -8.0 20.1 -13.4 12 12 A K H < S+ 0 0 177 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.926 121.0 29.5 -57.5 -43.0 -6.3 23.2 -12.1 13 13 A R H < S+ 0 0 164 -4,-1.7 71,-0.4 -5,-0.2 -2,-0.2 0.769 134.2 22.3 -96.5 -29.3 -9.6 24.8 -11.2 14 14 A N H < S+ 0 0 3 -4,-2.9 15,-2.9 -5,-0.2 2,-0.2 0.562 97.9 87.2-124.8 -10.5 -12.0 21.9 -10.4 15 15 A S E < +A 28 0A 18 -4,-1.5 2,-0.3 -5,-0.5 13,-0.2 -0.623 42.1 172.1 -95.1 159.0 -10.1 18.8 -9.4 16 16 A S E -A 27 0A 2 11,-1.8 11,-3.0 -2,-0.2 2,-0.5 -0.946 35.3-107.5-150.0 162.1 -8.7 17.7 -6.0 17 17 A T E -A 26 0A 20 -2,-0.3 33,-3.0 9,-0.2 2,-0.4 -0.869 37.2-165.9 -96.4 131.9 -7.2 14.6 -4.6 18 18 A V E -AB 25 49A 0 7,-3.3 7,-3.3 -2,-0.5 2,-0.5 -0.941 12.1-163.0-122.4 138.0 -9.4 12.6 -2.3 19 19 A K E +AB 24 48A 98 29,-2.5 29,-1.8 -2,-0.4 5,-0.2 -0.984 14.2 172.7-111.0 124.1 -8.7 9.8 0.2 20 20 A T E > -A 23 0A 14 3,-2.1 3,-1.4 -2,-0.5 22,-0.1 -0.626 54.4 -93.8-108.8-177.9 -11.4 7.6 1.4 21 21 A E T 3 S+ 0 0 110 21,-0.3 3,-0.1 1,-0.2 21,-0.1 0.460 127.8 57.4 -68.6 -2.6 -11.1 4.4 3.6 22 22 A Y T 3 S- 0 0 145 19,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.427 120.0 -79.4-114.1 1.7 -11.1 2.7 0.2 23 23 A G E < -A 20 0A 30 -3,-1.4 -3,-2.1 18,-0.1 2,-0.4 -0.960 58.6 -45.8 142.0-159.5 -8.1 4.4 -1.5 24 24 A E E +A 19 0A 34 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.977 53.9 175.5-117.6 133.4 -7.0 7.6 -3.3 25 25 A F E -A 18 0A 12 -7,-3.3 -7,-3.3 -2,-0.4 2,-0.4 -0.881 34.8-116.0-133.2 156.5 -9.1 9.1 -6.1 26 26 A T E -A 17 0A 0 121,-1.5 2,-0.4 -2,-0.3 -9,-0.2 -0.788 37.3-158.4 -83.1 137.9 -9.2 12.1 -8.3 27 27 A M E -A 16 0A 0 -11,-3.0 -11,-1.8 -2,-0.4 2,-0.6 -0.968 7.2-153.3-122.9 138.7 -12.3 14.1 -7.5 28 28 A L E -AC 15 36A 0 8,-1.4 8,-2.3 -2,-0.4 2,-0.3 -0.922 9.0-145.4-110.8 124.5 -14.1 16.6 -9.7 29 29 A G E - C 0 35A 0 -15,-2.9 6,-0.3 -2,-0.6 3,-0.1 -0.644 15.5-175.8 -81.3 139.8 -16.1 19.5 -8.3 30 30 A I E - 0 0 0 4,-3.1 56,-2.9 1,-0.4 57,-0.4 0.868 52.2 -42.2-108.0 -54.1 -19.1 20.3 -10.4 31 31 A Y E > S- C 0 34A 32 3,-1.2 3,-2.7 54,-0.2 -1,-0.4 -0.931 105.2 -0.2-168.3 160.8 -20.9 23.4 -8.9 32 32 A D B 3 S-P 83 0B 41 51,-0.8 51,-3.2 -2,-0.3 44,-0.0 -0.264 128.6 -35.9 55.9-125.8 -21.9 24.8 -5.5 33 33 A R T 3 S+ 0 0 62 49,-0.2 44,-3.1 -4,-0.1 2,-0.4 0.157 109.1 115.3-113.5 16.2 -20.6 22.2 -3.0 34 34 A W E < +CD 31 76A 36 -3,-2.7 -4,-3.1 42,-0.2 -3,-1.2 -0.753 35.1 167.3 -95.3 129.1 -21.4 19.1 -5.2 35 35 A A E -CD 29 75A 0 40,-2.6 40,-2.6 -2,-0.4 2,-0.4 -0.823 25.3-124.7-131.2 173.5 -18.5 16.9 -6.5 36 36 A V E +CD 28 74A 1 -8,-2.3 -8,-1.4 -2,-0.3 38,-0.2 -0.966 24.6 169.6-130.4 136.6 -18.3 13.5 -8.1 37 37 A L E - D 0 73A 0 36,-2.5 36,-3.4 -2,-0.4 -10,-0.1 -0.947 47.0 -88.2-129.3 156.8 -16.5 10.2 -7.2 38 38 A P E > - D 0 72A 0 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.410 43.3-118.1 -55.1 144.8 -16.7 6.7 -8.6 39 39 A R G > S+ 0 0 54 32,-1.9 3,-2.3 1,-0.2 33,-0.1 0.908 112.7 62.6 -51.9 -43.3 -19.4 4.8 -6.5 40 40 A H G 3 S+ 0 0 44 1,-0.3 -1,-0.2 31,-0.2 32,-0.1 0.704 83.6 75.3 -65.1 -16.9 -16.8 2.3 -5.3 41 41 A A G < S- 0 0 0 -3,-1.4 -19,-0.4 -20,-0.0 -1,-0.3 0.760 81.3-164.2 -61.6 -22.6 -14.9 5.1 -3.5 42 42 A K < - 0 0 87 -3,-2.3 -21,-0.3 -4,-0.3 -2,-0.1 0.857 9.2-150.8 38.4 61.6 -17.7 4.9 -0.9 43 43 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.353 8.3-149.6 -59.9 139.4 -16.9 8.3 0.8 44 44 A G - 0 0 15 2,-0.6 12,-0.0 -2,-0.0 -2,-0.0 -0.340 43.8 -69.9 -96.2-174.7 -17.9 8.4 4.5 45 45 A P S S+ 0 0 113 0, 0.0 11,-2.2 0, 0.0 2,-0.3 0.572 124.4 34.6 -53.7 -13.7 -19.0 11.5 6.5 46 46 A T E + E 0 55A 62 9,-0.2 -2,-0.6 7,-0.0 2,-0.3 -0.996 68.1 179.2-142.4 145.9 -15.5 12.8 6.2 47 47 A I E - E 0 54A 5 7,-2.1 7,-2.4 -2,-0.3 2,-0.7 -0.919 33.7-115.4-133.8 160.0 -12.9 12.6 3.5 48 48 A L E -BE 19 53A 53 -29,-1.8 -29,-2.5 -2,-0.3 2,-0.6 -0.932 33.5-173.2-100.2 116.6 -9.4 13.9 3.1 49 49 A M E > S-BE 18 52A 12 3,-3.2 3,-1.3 -2,-0.7 -31,-0.2 -0.956 73.1 -20.8-115.7 112.4 -9.5 16.4 0.2 50 50 A N T 3 S- 0 0 76 -33,-3.0 -1,-0.2 -2,-0.6 -32,-0.1 0.885 130.4 -48.7 50.4 41.7 -6.0 17.7 -0.7 51 51 A D T 3 S+ 0 0 137 -34,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.491 121.5 99.9 86.0 2.1 -4.6 16.6 2.7 52 52 A Q E < S-E 49 0A 135 -3,-1.3 -3,-3.2 2,-0.0 2,-0.3 -0.938 75.3-117.0-125.3 138.7 -7.4 18.3 4.7 53 53 A E E -E 48 0A 147 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.611 35.1-177.7 -76.0 140.0 -10.5 16.6 6.3 54 54 A V E -E 47 0A 23 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.1 -0.996 24.6-119.1-139.4 131.1 -13.7 17.9 4.8 55 55 A G E -E 46 0A 23 23,-0.5 23,-3.5 -2,-0.4 2,-0.5 -0.401 15.4-143.7 -66.4 146.2 -17.2 16.9 5.9 56 56 A V E -F 77 0A 20 -11,-2.2 21,-0.2 21,-0.3 3,-0.1 -0.969 12.5-172.8-108.8 123.6 -19.6 15.3 3.5 57 57 A L E S- 0 0 95 19,-3.3 2,-0.3 -2,-0.5 20,-0.2 0.706 70.5 -2.0 -86.1 -23.4 -23.2 16.4 4.1 58 58 A D E -F 76 0A 69 18,-0.9 18,-2.9 2,-0.0 2,-0.3 -0.956 56.2-162.0-165.1 153.4 -24.9 14.0 1.6 59 59 A A E -F 75 0A 44 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.958 6.9-166.3-148.4 117.8 -23.8 11.3 -0.9 60 60 A K E -F 74 0A 107 14,-3.0 14,-2.9 -2,-0.3 2,-0.7 -0.953 10.8-150.9-114.1 118.1 -26.1 10.0 -3.7 61 61 A E E -F 73 0A 100 -2,-0.5 12,-0.2 12,-0.2 2,-0.1 -0.770 29.2-128.9 -86.6 118.2 -25.1 6.8 -5.5 62 62 A L E + 0 0 26 10,-3.1 8,-2.0 -2,-0.7 9,-0.5 -0.452 34.2 168.6 -76.5 144.2 -26.5 7.2 -8.9 63 63 A V E -F 69 0A 79 6,-0.2 6,-0.2 7,-0.2 5,-0.1 -0.944 31.3-112.3-143.1 157.9 -28.8 4.5 -10.6 64 64 A D > - 0 0 19 4,-2.3 3,-2.9 -2,-0.3 6,-0.1 -0.262 49.3 -77.0 -84.7-178.1 -30.9 4.7 -13.8 65 65 A K T 3 S+ 0 0 203 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.898 133.9 44.7 -39.3 -60.4 -34.7 4.5 -14.0 66 66 A D T 3 S- 0 0 139 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.206 123.4-102.1 -74.3 14.1 -34.7 0.7 -13.4 67 67 A G < + 0 0 47 -3,-2.9 -2,-0.1 1,-0.2 2,-0.1 0.517 67.2 155.6 78.1 3.7 -32.2 0.9 -10.5 68 68 A A - 0 0 24 1,-0.1 -4,-2.3 -5,-0.1 -1,-0.2 -0.437 51.3-102.7 -61.7 131.8 -29.1 -0.2 -12.6 69 69 A N E -gF 132 63A 17 62,-0.8 64,-2.2 -6,-0.2 -6,-0.2 -0.328 29.6-172.2 -55.3 132.5 -25.8 1.0 -11.1 70 70 A L E - 0 0 4 -8,-2.0 -7,-0.2 2,-0.2 -1,-0.1 0.469 37.1-129.3-105.8 -5.1 -24.3 4.0 -12.9 71 71 A E E + 0 0 5 -9,-0.5 -32,-1.9 1,-0.2 2,-0.4 0.679 68.1 115.0 67.4 23.8 -21.1 3.7 -10.8 72 72 A L E -D 38 0A 0 -10,-0.4 -10,-3.1 -34,-0.3 2,-0.5 -0.978 48.1-158.8-124.6 139.8 -21.0 7.3 -9.7 73 73 A T E -DF 37 61A 1 -36,-3.4 -36,-2.5 -2,-0.4 2,-0.5 -0.979 7.1-154.4-111.1 123.7 -21.4 9.0 -6.3 74 74 A L E -DF 36 60A 7 -14,-2.9 -14,-3.0 -2,-0.5 2,-0.4 -0.852 18.7-168.8 -90.4 129.1 -22.5 12.7 -6.0 75 75 A L E -DF 35 59A 0 -40,-2.6 -40,-2.6 -2,-0.5 2,-0.6 -0.962 17.3-146.9-123.0 143.5 -21.3 14.2 -2.8 76 76 A K E -DF 34 58A 70 -18,-2.9 -19,-3.3 -2,-0.4 -18,-0.9 -0.900 23.5-140.1-109.7 121.7 -22.1 17.5 -1.1 77 77 A L E - F 0 56A 0 -44,-3.1 2,-1.7 -2,-0.6 -21,-0.3 -0.592 9.1-134.8 -90.9 143.9 -19.2 18.9 0.8 78 78 A N + 0 0 99 -23,-3.5 -23,-0.5 -2,-0.3 2,-0.3 -0.476 67.6 113.7 -90.6 64.9 -19.5 20.6 4.1 79 79 A R - 0 0 55 -2,-1.7 -2,-0.0 2,-0.2 -25,-0.0 -0.933 68.0-132.5-136.1 158.7 -17.3 23.5 3.2 80 80 A N S S+ 0 0 151 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.845 81.5 87.2 -80.1 -34.7 -17.9 27.2 2.7 81 81 A E - 0 0 135 1,-0.1 2,-0.3 -48,-0.0 -2,-0.2 -0.374 69.6-143.3 -68.2 138.7 -16.0 27.5 -0.6 82 82 A K - 0 0 127 -2,-0.1 -49,-0.2 -49,-0.0 2,-0.2 -0.789 16.2-115.1 -97.0 150.9 -18.1 26.8 -3.8 83 83 A F B -P 32 0B 22 -51,-3.2 -51,-0.8 -2,-0.3 2,-0.2 -0.551 36.3 -98.6 -75.9 148.7 -16.8 25.1 -6.9 84 84 A R - 0 0 72 -71,-0.4 2,-0.5 -2,-0.2 -1,-0.1 -0.528 50.2-108.4 -59.2 132.3 -16.5 27.0 -10.2 85 85 A D + 0 0 78 -2,-0.2 -54,-0.2 1,-0.2 3,-0.2 -0.522 48.8 164.7 -79.5 116.6 -19.7 25.9 -12.0 86 86 A I > + 0 0 0 -56,-2.9 3,-2.3 -2,-0.5 4,-0.5 0.201 39.2 114.0-116.1 15.2 -18.8 23.5 -14.9 87 87 A R G > S+ 0 0 61 -57,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.844 73.8 61.8 -53.1 -33.5 -22.2 22.1 -15.6 88 88 A G G 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.658 99.9 54.2 -64.5 -19.7 -22.0 23.8 -19.0 89 89 A F G < S+ 0 0 72 -3,-2.3 68,-2.7 67,-0.1 -1,-0.2 0.506 87.6 107.0 -93.0 -5.2 -19.0 21.7 -19.9 90 90 A L B < S-h 157 0A 8 -3,-1.3 68,-0.2 -4,-0.5 85,-0.1 -0.520 76.5-112.5 -80.1 139.3 -20.8 18.4 -19.2 91 91 A A B -q 175 0C 8 66,-1.7 85,-2.7 83,-0.6 -1,-0.1 -0.404 15.3-145.2 -61.8 141.9 -21.9 16.1 -22.0 92 92 A K S S+ 0 0 165 83,-0.2 85,-0.3 84,-0.1 2,-0.2 0.718 79.6 1.7 -86.5 -21.9 -25.7 15.9 -22.3 93 93 A E S S- 0 0 130 81,-0.1 2,-0.2 82,-0.1 81,-0.1 -0.861 106.1 -51.5-148.2-179.7 -25.6 12.2 -23.3 94 94 A E - 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