==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-AUG-99 1CQQ . COMPND 2 MOLECULE: TYPE 2 RHINOVIRUS 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS 2; . AUTHOR D.MATTHEWS,R.A.FERRE . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 42.2 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 . 6 3.3 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 . 26 14.4 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 . 13 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 . 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 . 1 1 4 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 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 69 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 113.3 36.8 -10.8 36.1 2 2 A P H > + 0 0 94 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.798 360.0 54.2 -65.0 -35.9 36.1 -7.0 36.4 3 3 A E H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.948 111.7 44.5 -65.1 -41.9 32.8 -6.7 34.4 4 4 A E H > S+ 0 0 97 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.939 114.5 49.6 -68.6 -43.1 31.0 -9.4 36.6 5 5 A E H X S+ 0 0 127 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.931 109.1 52.9 -59.5 -43.4 32.4 -7.8 39.8 6 6 A F H X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.922 108.8 51.9 -55.6 -43.9 31.2 -4.4 38.4 7 7 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.946 110.9 43.9 -59.1 -50.3 27.7 -6.1 38.0 8 8 A M H X S+ 0 0 78 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.959 113.8 53.2 -65.2 -38.9 27.5 -7.5 41.6 9 9 A S H X S+ 0 0 43 -4,-2.8 4,-2.6 -5,-0.3 5,-0.5 0.927 105.8 52.0 -59.1 -46.2 28.8 -4.1 42.9 10 10 A L H X>S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 5,-0.6 0.928 111.4 48.0 -59.0 -41.7 26.1 -2.3 41.0 11 11 A I H X5S+ 0 0 9 -4,-2.0 4,-1.3 3,-0.2 -2,-0.2 0.964 113.0 49.0 -67.3 -39.4 23.4 -4.6 42.6 12 12 A K H <5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.951 126.5 23.3 -61.8 -54.6 24.9 -4.1 46.2 13 13 A H H <5S+ 0 0 106 -4,-2.6 71,-0.6 -5,-0.2 -1,-0.2 0.778 135.3 25.8 -85.1 -34.3 25.1 -0.4 46.0 14 14 A N H <5S+ 0 0 0 -4,-2.3 15,-3.5 -5,-0.5 2,-0.2 0.507 100.0 82.2-115.5 -0.7 22.5 0.7 43.5 15 15 A S E << +A 28 0A 15 -4,-1.3 2,-0.3 -5,-0.6 13,-0.2 -0.690 42.5 159.0-107.8 157.5 19.9 -1.9 43.3 16 16 A C E -A 27 0A 1 11,-1.3 11,-2.9 -2,-0.2 2,-0.8 -0.966 44.0-102.5-161.3 160.6 16.7 -2.7 45.4 17 17 A V E -A 26 0A 28 -2,-0.3 33,-2.9 9,-0.2 2,-0.6 -0.899 33.9-161.8 -96.4 107.6 13.3 -4.5 45.2 18 18 A I E -AB 25 49A 0 7,-3.0 7,-3.4 -2,-0.8 2,-0.5 -0.858 7.3-161.1 -86.2 124.1 10.7 -1.9 44.6 19 19 A T E +AB 24 48A 25 29,-2.6 29,-2.1 -2,-0.6 5,-0.2 -0.913 19.4 157.9-110.6 129.5 7.2 -3.4 45.5 20 20 A T E > -A 23 0A 18 3,-2.5 3,-1.0 -2,-0.5 22,-0.1 -0.728 61.0 -81.6-130.0-171.3 3.9 -1.8 44.2 21 21 A E T 3 S+ 0 0 106 21,-0.4 21,-0.1 1,-0.2 3,-0.1 0.814 128.9 58.5 -65.4 -27.1 0.3 -3.0 43.6 22 22 A N T 3 S- 0 0 96 19,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.597 120.9 -98.5 -77.6 -10.6 1.5 -4.4 40.2 23 23 A G E < -A 20 0A 29 -3,-1.0 -3,-2.5 18,-0.2 2,-0.4 -0.878 59.7 -30.2 127.4-161.9 4.2 -6.7 42.0 24 24 A K E -A 19 0A 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.821 55.3-178.4-100.2 138.0 7.9 -6.5 42.7 25 25 A F E -A 18 0A 12 -7,-3.4 -7,-3.0 -2,-0.4 2,-0.6 -0.903 34.6-107.7-127.1 150.5 10.4 -4.7 40.4 26 26 A T E -A 17 0A 1 121,-1.9 2,-0.4 -2,-0.3 -9,-0.2 -0.672 39.0-156.0 -79.3 118.7 14.2 -4.1 40.4 27 27 A G E -A 16 0A 0 -11,-2.9 -11,-1.3 -2,-0.6 2,-0.6 -0.813 3.0-147.4 -91.5 144.7 14.7 -0.5 41.3 28 28 A L E -AC 15 36A 1 8,-1.6 8,-2.0 -2,-0.4 2,-0.6 -0.948 6.5-145.9-116.2 110.4 17.8 1.3 40.2 29 29 A G E + C 0 35A 0 -15,-3.5 6,-0.3 -2,-0.6 57,-0.2 -0.656 20.3 177.8 -73.3 119.2 19.1 4.0 42.6 30 30 A V E - 0 0 1 4,-2.5 56,-1.5 -2,-0.6 57,-0.7 0.874 57.3 -34.3 -92.9 -40.5 20.7 6.7 40.3 31 31 A Y E > S- C 0 34A 36 3,-0.9 3,-2.8 54,-0.2 -1,-0.3 -0.906 107.7 -7.2-176.7 156.5 21.8 9.4 42.9 32 32 A D B 3 S-I 83 0B 49 51,-0.7 51,-2.5 1,-0.3 44,-0.0 -0.197 128.9 -31.9 40.2-117.9 20.7 11.0 46.2 33 33 A R T 3 S+ 0 0 71 49,-0.2 44,-2.9 -3,-0.1 2,-0.5 0.014 107.6 120.7-116.9 30.9 17.2 9.4 46.9 34 34 A F E < +CD 31 76A 28 -3,-2.8 -4,-2.5 42,-0.2 -3,-0.9 -0.847 34.2 171.8 -91.5 129.5 16.2 9.1 43.2 35 35 A V E -CD 29 75A 0 40,-2.1 40,-3.0 -2,-0.5 2,-0.4 -0.888 21.5-137.7-134.7 152.2 15.4 5.6 41.8 36 36 A V E +CD 28 74A 1 -8,-2.0 -8,-1.6 -2,-0.3 38,-0.2 -0.922 22.0 170.6-115.0 143.7 14.0 4.4 38.4 37 37 A V E - D 0 73A 0 36,-1.7 36,-1.9 -2,-0.4 -10,-0.1 -0.957 47.9 -81.0-133.5 160.1 11.4 1.7 37.9 38 38 A P E >> - D 0 72A 0 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.410 40.2-124.6 -54.9 141.4 9.5 0.6 34.7 39 39 A T G >4 S+ 0 0 12 32,-1.7 3,-1.9 1,-0.3 33,-0.1 0.905 112.2 62.4 -57.7 -34.3 6.6 3.0 34.2 40 40 A H G 34 S+ 0 0 73 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.529 82.7 78.0 -71.6 -2.2 4.3 -0.1 34.2 41 41 A A G <4 S- 0 0 0 -3,-2.5 -19,-0.7 2,-0.0 -1,-0.3 0.821 89.8-156.7 -67.6 -30.5 5.5 -0.7 37.8 42 42 A D << - 0 0 106 -3,-1.9 -21,-0.4 -4,-0.5 2,-0.2 0.943 4.6-150.4 54.2 60.6 2.9 2.1 38.4 43 43 A P - 0 0 14 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.351 11.8-160.2 -61.6 122.6 4.3 3.4 41.8 44 44 A G - 0 0 44 2,-0.4 12,-0.1 -2,-0.2 3,-0.1 0.155 46.2 -63.1 -87.2-151.2 1.6 5.0 44.1 45 45 A K S S+ 0 0 71 1,-0.2 11,-2.9 10,-0.1 2,-0.3 0.791 126.6 21.9 -62.7 -33.0 1.9 7.4 47.1 46 46 A E E - E 0 55A 114 9,-0.3 -2,-0.4 11,-0.0 2,-0.3 -0.998 69.7-179.8-134.8 144.8 3.9 4.8 49.0 47 47 A I E - E 0 54A 5 7,-2.5 7,-3.5 -2,-0.3 2,-0.5 -0.790 33.6-110.4-131.0 165.8 5.9 1.8 47.6 48 48 A Q E -BE 19 53A 81 -29,-2.1 -29,-2.6 -2,-0.3 2,-0.7 -0.919 24.3-159.7-101.5 127.2 7.9 -0.8 49.6 49 49 A V E > S-BE 18 52A 1 3,-2.4 3,-1.9 -2,-0.5 -31,-0.2 -0.952 82.2 -23.1-106.9 108.0 11.8 -0.5 49.1 50 50 A D T 3 S- 0 0 87 -33,-2.9 -1,-0.1 -2,-0.7 -32,-0.1 0.828 131.8 -47.2 59.5 37.7 13.3 -3.9 50.0 51 51 A G T 3 S+ 0 0 40 -34,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.288 114.5 117.9 91.5 -11.8 10.2 -4.5 52.1 52 52 A I E < -E 49 0A 119 -3,-1.9 -3,-2.4 1,-0.0 -1,-0.2 -0.812 68.8-122.5 -92.2 112.3 10.2 -1.1 53.9 53 53 A T E -E 48 0A 105 -2,-0.6 2,-0.4 -5,-0.3 -5,-0.3 -0.345 39.3-175.4 -55.8 123.2 7.0 1.1 53.2 54 54 A T E -E 47 0A 9 -7,-3.5 -7,-2.5 -2,-0.2 2,-0.3 -0.958 24.3-130.7-129.1 135.0 8.3 4.3 51.8 55 55 A K E -E 46 0A 109 23,-0.5 23,-2.2 -2,-0.4 2,-0.7 -0.623 19.8-139.7 -80.6 130.8 6.5 7.5 50.8 56 56 A V E -F 77 0A 18 -11,-2.9 21,-0.2 -2,-0.3 3,-0.1 -0.866 8.8-162.6 -96.4 119.9 7.4 8.8 47.3 57 57 A I E S+ 0 0 93 19,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.938 74.6 0.2 -61.4 -45.6 7.7 12.6 47.4 58 58 A D E -F 76 0A 75 18,-0.8 18,-2.6 2,-0.0 2,-0.4 -0.990 59.0-155.9-146.7 152.9 7.4 13.0 43.5 59 59 A S E -F 75 0A 48 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.996 10.3-171.5-132.8 117.7 6.9 10.6 40.6 60 60 A Y E -F 74 0A 107 14,-2.4 14,-2.6 -2,-0.4 2,-0.4 -0.915 11.5-152.9-117.7 102.0 8.1 11.7 37.1 61 61 A D E -F 73 0A 71 -2,-0.5 2,-0.4 12,-0.2 12,-0.2 -0.622 25.2-129.0 -74.0 122.3 7.1 9.5 34.0 62 62 A L E + 0 0 28 10,-3.0 8,-2.9 -2,-0.4 9,-0.7 -0.611 32.0 176.3 -77.3 126.9 9.8 10.0 31.3 63 63 A Y E -F 69 0A 123 -2,-0.4 6,-0.2 6,-0.3 4,-0.1 -0.965 26.9-119.9-128.7 145.7 8.5 10.9 27.7 64 64 A N > - 0 0 25 4,-2.9 3,-1.5 -2,-0.3 6,-0.0 -0.174 45.6 -87.5 -75.4 178.9 10.4 11.8 24.5 65 65 A K T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.784 124.7 55.8 -60.8 -24.4 9.9 15.2 22.7 66 66 A N T 3 S- 0 0 142 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.020 122.5 -98.4 -97.5 26.3 7.0 13.9 20.6 67 67 A G S < S+ 0 0 52 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.556 78.1 137.7 72.2 5.1 4.9 12.8 23.5 68 68 A I - 0 0 34 1,-0.1 -4,-2.9 64,-0.0 -1,-0.2 -0.686 56.8-111.2 -86.0 141.9 5.8 9.1 23.4 69 69 A K E -gF 132 63A 73 62,-0.6 64,-3.0 -2,-0.3 -6,-0.3 -0.330 15.1-159.0 -67.2 146.3 6.6 7.3 26.7 70 70 A L E - 0 0 3 -8,-2.9 -7,-0.2 2,-0.3 -1,-0.1 0.591 38.1-125.5 -96.2 -11.7 10.2 6.1 27.4 71 71 A E E S+ 0 0 17 -9,-0.7 -32,-1.7 1,-0.3 2,-0.4 0.676 74.1 117.9 69.2 27.0 8.8 3.5 30.0 72 72 A I E -D 38 0A 0 -10,-0.5 -10,-3.0 -34,-0.3 2,-0.4 -0.916 45.5-167.2-118.3 131.7 11.0 5.0 32.7 73 73 A T E -DF 37 61A 0 -36,-1.9 -36,-1.7 -2,-0.4 2,-0.6 -0.997 12.6-145.6-122.4 126.0 9.5 6.5 35.8 74 74 A V E -DF 36 60A 11 -14,-2.6 -14,-2.4 -2,-0.4 2,-0.5 -0.881 16.4-160.6 -93.1 119.0 11.9 8.6 38.1 75 75 A L E -DF 35 59A 0 -40,-3.0 -40,-2.1 -2,-0.6 2,-0.8 -0.845 11.8-154.8-101.4 130.2 10.9 8.3 41.8 76 76 A K E -DF 34 58A 37 -18,-2.6 -19,-2.5 -2,-0.5 -18,-0.8 -0.847 26.4-149.9-104.3 95.8 12.0 10.7 44.5 77 77 A L E - 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