==== 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 3ZZD . 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) . 8861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 75.0 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 . 79 43.9 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 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 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 83 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.3 -3.1 19.6 -28.7 2 2 A P H > + 0 0 84 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.907 360.0 60.6 -66.7 -43.2 -6.1 21.7 -27.7 3 3 A A H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.934 102.5 54.3 -53.9 -45.1 -7.7 18.9 -25.6 4 4 A F H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 108.6 47.3 -50.9 -49.9 -4.6 18.9 -23.4 5 5 A E H X S+ 0 0 143 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.811 113.0 47.7 -64.3 -36.9 -4.9 22.7 -22.6 6 6 A F H X S+ 0 0 33 -4,-2.1 4,-2.2 -3,-0.3 -1,-0.2 0.921 112.0 52.2 -65.6 -45.3 -8.6 22.5 -21.8 7 7 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.910 107.4 50.1 -60.4 -43.8 -7.9 19.5 -19.6 8 8 A V H X S+ 0 0 50 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.916 111.6 48.3 -61.8 -41.3 -5.1 21.3 -17.6 9 9 A A H X S+ 0 0 54 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.890 112.4 49.4 -68.2 -39.2 -7.4 24.4 -16.9 10 10 A M H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.919 114.2 43.2 -64.8 -49.3 -10.2 22.1 -15.8 11 11 A M H X S+ 0 0 5 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.889 112.4 54.8 -64.3 -38.8 -8.1 20.1 -13.4 12 12 A K H < S+ 0 0 172 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.906 120.9 29.1 -59.6 -38.4 -6.4 23.2 -12.1 13 13 A R H < S+ 0 0 160 -4,-1.6 71,-0.4 -5,-0.2 -2,-0.2 0.725 134.4 22.3-102.2 -27.4 -9.6 24.8 -11.2 14 14 A N H < S+ 0 0 4 -4,-2.8 15,-3.1 -5,-0.2 2,-0.3 0.527 97.6 87.0-125.9 -7.6 -12.0 21.9 -10.4 15 15 A S E < +A 28 0A 19 -4,-1.6 2,-0.3 -5,-0.4 13,-0.2 -0.680 43.3 173.7 -97.9 158.1 -10.1 18.8 -9.5 16 16 A S E -A 27 0A 3 11,-1.8 11,-3.0 -2,-0.3 2,-0.5 -0.946 34.7-106.5-149.9 162.0 -8.8 17.6 -6.1 17 17 A T E -A 26 0A 22 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.854 37.6-165.9 -91.7 129.9 -7.1 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 -0.957 12.0-163.8-123.3 132.0 -9.4 12.6 -2.3 19 19 A K E +AB 24 48A 109 29,-2.7 29,-1.8 -2,-0.4 2,-0.2 -0.963 13.9 175.6-105.5 121.4 -8.7 9.8 0.2 20 20 A T E > -A 23 0A 15 3,-2.7 3,-1.7 -2,-0.5 22,-0.1 -0.682 52.5 -96.4-105.7 176.6 -11.5 7.6 1.4 21 21 A E T 3 S+ 0 0 137 21,-0.3 3,-0.1 1,-0.3 21,-0.1 0.571 128.1 54.4 -60.8 -10.0 -11.2 4.5 3.7 22 22 A Y T 3 S- 0 0 140 19,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.442 120.3 -73.3-110.7 0.5 -11.1 2.7 0.3 23 23 A G E < -A 20 0A 28 -3,-1.7 -3,-2.7 18,-0.1 2,-0.5 -0.915 58.2 -49.1 144.4-171.3 -8.3 4.4 -1.5 24 24 A E E +A 19 0A 36 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.931 54.9 172.3-105.5 129.9 -7.0 7.5 -3.3 25 25 A F E -A 18 0A 14 -7,-3.3 -7,-3.3 -2,-0.5 2,-0.4 -0.872 36.2-114.7-131.0 158.5 -9.1 9.1 -6.1 26 26 A T E -A 17 0A 1 121,-1.5 2,-0.4 -2,-0.3 -9,-0.2 -0.796 36.5-159.3 -82.8 136.4 -9.3 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 -0.967 6.9-153.8-121.3 138.6 -12.4 14.1 -7.5 28 28 A L E -AC 15 36A 0 8,-1.4 8,-2.2 -2,-0.4 2,-0.3 -0.915 9.7-144.3-110.8 126.9 -14.1 16.6 -9.8 29 29 A G E - C 0 35A 0 -15,-3.1 6,-0.3 -2,-0.6 3,-0.1 -0.657 16.5-176.4 -82.7 141.4 -16.1 19.5 -8.3 30 30 A I E - 0 0 0 4,-3.0 56,-2.9 1,-0.4 57,-0.4 0.872 51.9 -39.0-107.9 -59.6 -19.1 20.3 -10.4 31 31 A Y E > S- C 0 34A 32 3,-1.2 3,-2.9 54,-0.2 -1,-0.4 -0.943 105.2 -4.5-161.6 160.3 -21.0 23.4 -9.0 32 32 A D B 3 S-P 83 0B 41 51,-0.8 51,-3.0 -2,-0.3 44,-0.0 -0.265 128.5 -34.5 54.9-123.4 -21.9 24.9 -5.5 33 33 A R T 3 S+ 0 0 63 49,-0.2 44,-3.1 -4,-0.1 2,-0.5 0.134 108.7 116.3-114.8 16.1 -20.7 22.2 -3.1 34 34 A W E < +CD 31 76A 40 -3,-2.9 -4,-3.0 42,-0.2 -3,-1.2 -0.777 35.2 167.4 -94.9 128.3 -21.4 19.2 -5.2 35 35 A A E -CD 29 75A 0 40,-2.9 40,-2.7 -2,-0.5 2,-0.4 -0.805 24.2-126.7-129.3 173.2 -18.6 16.9 -6.4 36 36 A V E +CD 28 74A 1 -8,-2.2 -8,-1.4 -2,-0.3 38,-0.2 -0.975 24.1 168.1-132.9 137.0 -18.4 13.5 -8.0 37 37 A L E - D 0 73A 0 36,-2.6 36,-3.6 -2,-0.4 -10,-0.1 -0.944 47.1 -86.2-131.7 159.8 -16.5 10.2 -7.2 38 38 A P E > - D 0 72A 0 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.383 43.4-118.3 -56.5 147.0 -16.8 6.6 -8.5 39 39 A R G > S+ 0 0 52 32,-2.0 3,-2.4 1,-0.2 33,-0.1 0.935 113.4 61.0 -52.8 -46.2 -19.5 4.7 -6.5 40 40 A H G 3 S+ 0 0 45 1,-0.3 -1,-0.2 31,-0.2 32,-0.1 0.691 84.4 75.9 -63.9 -15.5 -16.9 2.3 -5.3 41 41 A A G < S- 0 0 0 -3,-1.2 -19,-0.4 -20,-0.0 -1,-0.3 0.788 80.2-166.1 -60.7 -24.6 -14.9 5.1 -3.5 42 42 A K < - 0 0 84 -3,-2.4 -21,-0.3 -4,-0.4 2,-0.1 0.872 8.8-151.4 37.0 66.0 -17.8 5.0 -0.9 43 43 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.445 6.8-147.8 -63.2 136.2 -16.9 8.3 0.8 44 44 A G - 0 0 11 2,-0.6 -2,-0.0 -2,-0.1 12,-0.0 -0.269 44.3 -70.5 -88.7-172.8 -17.9 8.4 4.5 45 45 A P S S+ 0 0 111 0, 0.0 11,-2.3 0, 0.0 2,-0.3 0.566 124.2 35.8 -56.6 -12.6 -19.0 11.5 6.5 46 46 A T E - E 0 55A 72 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.996 68.5-180.0-141.2 146.5 -15.5 12.9 6.3 47 47 A I E - E 0 54A 5 7,-2.1 7,-2.3 -2,-0.3 2,-0.6 -0.916 33.2-116.2-134.1 160.3 -12.9 12.6 3.5 48 48 A L E -BE 19 53A 61 -29,-1.8 -29,-2.7 -2,-0.3 2,-0.5 -0.934 33.6-173.9 -99.5 119.6 -9.4 13.9 3.1 49 49 A M E > S-BE 18 52A 12 3,-3.4 3,-1.1 -2,-0.6 -31,-0.2 -0.976 73.4 -19.0-119.5 111.4 -9.5 16.4 0.3 50 50 A N T 3 S- 0 0 84 -33,-2.9 -1,-0.2 -2,-0.5 -32,-0.1 0.886 129.7 -50.5 54.1 41.4 -6.1 17.7 -0.7 51 51 A D T 3 S+ 0 0 154 -34,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.577 121.2 103.6 82.8 7.1 -4.6 16.6 2.7 52 52 A Q E < S-E 49 0A 139 -3,-1.1 -3,-3.4 2,-0.0 -1,-0.2 -0.960 74.7-116.3-130.9 135.6 -7.4 18.3 4.7 53 53 A E E -E 48 0A 144 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.532 35.7-179.5 -73.4 139.4 -10.4 16.8 6.4 54 54 A V E -E 47 0A 18 -7,-2.3 -7,-2.1 -2,-0.2 2,-0.1 -0.990 24.8-121.8-142.9 129.2 -13.7 17.9 4.8 55 55 A G E -EF 46 78A 25 23,-0.5 23,-3.5 -2,-0.4 2,-0.5 -0.413 15.3-143.4 -68.1 147.2 -17.2 17.0 5.9 56 56 A V E - F 0 77A 20 -11,-2.3 21,-0.2 21,-0.3 3,-0.1 -0.960 12.4-172.4-108.8 127.1 -19.6 15.3 3.5 57 57 A L E - 0 0 97 19,-3.6 2,-0.3 -2,-0.5 20,-0.2 0.724 69.8 -4.7 -89.0 -26.1 -23.2 16.4 4.0 58 58 A D E - F 0 76A 68 18,-1.0 18,-3.1 2,-0.0 -1,-0.3 -0.956 55.9-161.6-165.8 151.7 -24.9 14.0 1.6 59 59 A A E - F 0 75A 42 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.941 7.4-164.8-147.7 115.6 -23.8 11.3 -0.9 60 60 A K E - F 0 74A 109 14,-3.0 14,-2.6 -2,-0.3 2,-0.6 -0.917 10.9-149.4-111.8 117.3 -26.1 10.0 -3.6 61 61 A E E - F 0 73A 106 -2,-0.6 12,-0.2 12,-0.2 2,-0.2 -0.718 28.5-130.7 -82.6 120.7 -25.2 6.8 -5.5 62 62 A L E + 0 0 26 10,-2.7 8,-1.8 -2,-0.6 9,-0.5 -0.538 33.3 168.3 -80.1 142.1 -26.6 7.2 -9.0 63 63 A V E - F 0 69A 80 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.937 30.6-110.9-140.0 160.2 -28.8 4.5 -10.7 64 64 A D > - 0 0 19 4,-2.2 3,-3.0 -2,-0.3 6,-0.1 -0.229 50.2 -73.0 -83.6-176.5 -31.0 4.7 -13.8 65 65 A K T 3 S+ 0 0 205 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.516 135.2 41.1 -50.0 -16.5 -34.8 4.6 -14.3 66 66 A D T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.053 122.7 -99.8-116.7 17.4 -34.8 0.8 -13.4 67 67 A G < + 0 0 48 -3,-3.0 2,-0.1 1,-0.2 -2,-0.1 0.541 68.5 154.3 77.0 4.7 -32.2 0.9 -10.5 68 68 A A - 0 0 23 1,-0.1 -4,-2.2 -5,-0.1 -1,-0.2 -0.456 51.9-101.0 -64.3 136.0 -29.2 -0.3 -12.6 69 69 A N E -gF 132 63A 18 62,-0.8 64,-2.5 -6,-0.2 -6,-0.2 -0.323 30.8-174.1 -56.6 134.1 -25.9 1.0 -11.2 70 70 A L E - 0 0 3 -8,-1.8 -7,-0.2 2,-0.2 -1,-0.1 0.496 38.0-129.5-107.8 -6.3 -24.3 4.0 -12.9 71 71 A E E + 0 0 5 -9,-0.5 -32,-2.0 1,-0.2 2,-0.4 0.681 67.2 114.4 68.8 23.8 -21.1 3.7 -10.8 72 72 A L E -D 38 0A 0 -10,-0.4 -10,-2.7 -34,-0.3 2,-0.5 -0.981 48.7-156.8-123.0 141.0 -21.0 7.3 -9.7 73 73 A T E -DF 37 61A 1 -36,-3.6 -36,-2.6 -2,-0.4 2,-0.5 -0.979 7.1-155.0-109.3 121.9 -21.4 9.0 -6.3 74 74 A L E -DF 36 60A 9 -14,-2.6 -14,-3.0 -2,-0.5 2,-0.4 -0.829 19.8-168.9 -85.1 127.1 -22.5 12.7 -6.1 75 75 A L E -DF 35 59A 0 -40,-2.7 -40,-2.9 -2,-0.5 2,-0.6 -0.961 17.4-147.0-123.1 142.8 -21.3 14.2 -2.8 76 76 A K E -DF 34 58A 67 -18,-3.1 -19,-3.6 -2,-0.4 -18,-1.0 -0.910 23.1-140.3-110.4 121.4 -22.1 17.5 -1.2 77 77 A L E - F 0 56A 0 -44,-3.1 2,-1.4 -2,-0.6 -21,-0.3 -0.560 9.5-134.2 -89.4 145.4 -19.3 18.9 0.8 78 78 A N E + F 0 55A 100 -23,-3.5 -23,-0.5 -2,-0.2 2,-0.3 -0.524 68.3 112.9 -91.9 65.0 -19.6 20.7 4.2 79 79 A R - 0 0 57 -2,-1.4 -2,-0.1 2,-0.2 -25,-0.0 -0.939 68.3-132.3-138.2 157.9 -17.3 23.6 3.2 80 80 A N S S+ 0 0 151 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.840 80.7 87.6 -83.5 -32.4 -17.9 27.2 2.6 81 81 A E - 0 0 135 1,-0.1 2,-0.3 -48,-0.0 -2,-0.2 -0.399 69.4-142.9 -68.7 137.7 -16.1 27.6 -0.7 82 82 A K - 0 0 131 -2,-0.1 2,-0.2 -49,-0.1 -49,-0.2 -0.736 16.2-115.0 -95.6 151.2 -18.1 26.9 -3.8 83 83 A F B -P 32 0B 22 -51,-3.0 -51,-0.8 -2,-0.3 2,-0.2 -0.599 36.4 -97.4 -77.5 149.3 -16.8 25.1 -6.9 84 84 A R - 0 0 72 -71,-0.4 2,-0.6 -2,-0.2 -1,-0.1 -0.506 50.2-110.2 -56.3 128.1 -16.5 26.9 -10.2 85 85 A D + 0 0 78 -2,-0.2 -54,-0.2 1,-0.2 3,-0.2 -0.529 47.8 165.4 -76.9 116.5 -19.7 25.9 -12.0 86 86 A I > + 0 0 0 -56,-2.9 3,-2.2 -2,-0.6 4,-0.5 0.147 39.1 114.3-114.3 17.3 -18.8 23.5 -14.9 87 87 A R G > S+ 0 0 64 -57,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.853 73.0 62.6 -55.7 -34.4 -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 0.682 99.9 54.2 -60.2 -20.4 -22.1 23.9 -19.0 89 89 A F G < S+ 0 0 73 -3,-2.2 68,-2.8 67,-0.1 -1,-0.2 0.490 87.0 106.0 -94.7 -4.8 -19.0 21.7 -19.9 90 90 A L B < S-h 157 0A 7 -3,-1.4 68,-0.2 -4,-0.5 85,-0.1 -0.538 76.5-111.9 -80.4 141.7 -20.8 18.4 -19.2 91 91 A A B -q 175 0C 9 66,-1.6 85,-2.8 83,-0.5 -1,-0.1 -0.390 15.0-145.0 -63.4 142.5 -22.0 16.1 -22.0 92 92 A K S S+ 0 0 162 83,-0.2 85,-0.3 84,-0.1 2,-0.2 0.728 79.9 3.3 -82.9 -23.6 -25.8 15.9 -22.3 93 93 A E S S- 0 0 132 81,-0.1 2,-0.2 82,-0.1 81,-0.1 -0.837 105.9 -52.6-146.4 179.5 -25.6 12.2 -23.4 94 94 A E - 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