==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-11 3UR6 . COMPND 2 MOLECULE: 3C-LIKE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOROVIRUS; . AUTHOR S.LOVELL,K.P.BATTAILE,Y.KIM,K.C.TIEW,S.R.MANDADAPU,K.R.ALLIS . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 3.6 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 . 36 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 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 RESIDUES PER ALPHA HELIX . 0 2 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 . 0 4 2 4 4 4 2 0 2 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 . 2 0 0 2 0 0 2 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 0 A M 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.3 -6.3 -16.6 16.6 2 1 A A - 0 0 10 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.658 360.0-126.6 -63.2 121.2 -3.8 -13.9 17.7 3 2 A P >> - 0 0 48 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.261 22.1-104.4 -67.5 163.9 -1.9 -15.5 20.6 4 3 A P H 3> S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 120.1 60.3 -56.5 -36.9 -1.6 -13.8 24.0 5 4 A T H 3> S+ 0 0 70 1,-0.2 4,-0.5 2,-0.2 -3,-0.0 0.907 104.8 49.5 -59.3 -38.4 2.0 -12.8 23.2 6 5 A L H X4 S+ 0 0 7 -3,-0.5 3,-1.5 1,-0.2 4,-0.4 0.949 111.3 47.6 -64.7 -49.2 0.8 -10.8 20.2 7 6 A W H >< S+ 0 0 16 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.844 102.4 66.0 -58.7 -33.7 -1.9 -9.0 22.1 8 7 A S H 3< S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.678 90.2 65.5 -67.2 -13.2 0.7 -8.3 24.8 9 8 A R T << S+ 0 0 9 -3,-1.5 11,-1.7 -4,-0.5 2,-0.5 0.711 81.0 91.5 -74.1 -23.8 2.5 -6.1 22.3 10 9 A V E < -A 19 0A 2 -3,-1.9 2,-0.4 -4,-0.4 9,-0.2 -0.682 63.2-178.4 -80.7 121.9 -0.5 -3.7 22.3 11 10 A T E -A 18 0A 20 7,-2.5 7,-2.3 -2,-0.5 2,-0.1 -0.960 32.9-110.2-135.6 136.2 0.2 -1.1 24.9 12 11 A K E +A 17 0A 89 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.438 47.0 168.3 -69.1 135.9 -1.7 1.9 26.2 13 12 A F E > -A 16 0A 14 3,-2.3 3,-2.5 -2,-0.1 -2,-0.0 -0.934 48.2 -44.7-157.9 119.7 0.1 5.0 25.1 14 13 A G T 3 S- 0 0 50 -2,-0.3 19,-0.2 1,-0.3 18,-0.1 -0.279 122.2 -17.6 61.2-129.5 -0.8 8.7 25.1 15 14 A S T 3 S+ 0 0 84 17,-1.7 -1,-0.3 2,-0.1 116,-0.2 0.311 140.7 1.5 -95.2 11.6 -4.4 9.2 24.0 16 15 A G E < S-A 13 0A 4 -3,-2.5 -3,-2.3 16,-0.3 2,-0.3 -0.328 92.9 -66.7-154.3-121.3 -4.5 5.7 22.4 17 16 A W E -A 12 0A 24 114,-2.1 12,-0.6 -5,-0.3 2,-0.3 -0.873 27.4-161.5-143.9 167.8 -2.3 2.7 22.0 18 17 A G E -AB 11 28A 0 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.4 -0.868 17.3-123.0-145.8-172.7 0.9 1.6 20.3 19 18 A F E -AB 10 27A 0 8,-2.6 8,-2.8 -2,-0.3 2,-0.9 -0.992 10.7-133.2-143.5 127.2 2.5 -1.7 19.4 20 19 A W E - B 0 26A 6 -11,-1.7 6,-0.3 -2,-0.4 -11,-0.0 -0.724 21.3-180.0 -81.3 106.7 5.9 -3.3 20.2 21 20 A V S S- 0 0 8 4,-2.1 51,-2.4 -2,-0.9 -1,-0.2 0.794 72.1 -15.6 -73.9 -30.2 7.2 -4.6 16.9 22 21 A S S S- 0 0 19 3,-1.5 3,-0.2 49,-0.2 -1,-0.1 -0.890 90.4 -73.3-157.3-179.3 10.3 -6.0 18.6 23 22 A P S S+ 0 0 15 0, 0.0 42,-1.9 0, 0.0 43,-1.6 0.755 131.8 26.5 -57.8 -22.6 12.1 -5.6 21.9 24 23 A T S S+ 0 0 41 40,-0.2 37,-3.0 41,-0.2 2,-0.5 0.506 107.4 77.8-117.4 -8.7 13.3 -2.1 20.8 25 24 A V E + C 0 60A 22 35,-0.2 -4,-2.1 -3,-0.2 -3,-1.5 -0.922 48.1 179.2-121.2 126.0 10.8 -0.8 18.3 26 25 A F E -BC 20 59A 0 33,-2.5 33,-3.0 -2,-0.5 2,-0.3 -0.984 7.9-165.1-122.9 130.6 7.4 0.7 19.2 27 26 A I E +BC 19 58A 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.3 -0.851 16.8 152.3-117.4 149.2 4.9 2.0 16.6 28 27 A T E -BC 18 57A 0 29,-2.4 29,-2.7 -2,-0.3 2,-0.5 -0.918 48.0 -77.7-156.3-178.2 1.9 4.2 17.1 29 28 A T E >> - C 0 56A 0 -12,-0.6 3,-2.1 -2,-0.3 4,-0.6 -0.819 38.3-130.1 -95.5 134.6 -0.3 6.8 15.4 30 29 A T G >4 S+ 0 0 26 25,-1.6 3,-1.6 -2,-0.5 -1,-0.1 0.847 101.8 57.2 -53.1 -45.9 1.1 10.2 15.4 31 30 A H G 34 S+ 0 0 55 1,-0.3 -1,-0.3 24,-0.2 -16,-0.1 0.655 104.1 54.1 -68.9 -13.2 -1.9 12.1 16.7 32 31 A V G <4 S+ 0 0 2 -3,-2.1 -17,-1.7 -15,-0.1 -16,-0.3 0.588 80.8 111.2 -92.5 -8.9 -2.0 10.0 19.9 33 32 A V S << S- 0 0 17 -3,-1.6 -19,-0.0 -4,-0.6 -5,-0.0 -0.453 76.9-113.4 -68.1 127.5 1.6 10.7 20.8 34 33 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 3,-0.3 -0.336 31.8-150.7 -59.7 137.3 1.9 12.9 23.9 35 34 A T + 0 0 132 1,-0.2 3,-0.1 -3,-0.1 -21,-0.0 -0.774 69.9 30.6-107.1 154.8 3.4 16.3 23.1 36 35 A G S S+ 0 0 90 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.769 87.8 117.8 70.1 30.3 5.5 18.4 25.5 37 36 A V - 0 0 65 -3,-0.3 -1,-0.2 1,-0.0 3,-0.1 -0.790 55.1-147.0-120.4 166.7 7.1 15.5 27.5 38 37 A K S S+ 0 0 76 -2,-0.3 7,-1.9 1,-0.2 2,-0.3 0.381 75.7 36.7-115.0 0.7 10.8 14.6 27.9 39 38 A E E -E 44 0B 95 5,-0.3 2,-0.4 6,-0.1 -1,-0.2 -0.991 55.6-155.7-155.9 141.4 10.6 10.8 28.2 40 39 A F E > S-E 43 0B 13 3,-2.2 3,-2.4 -2,-0.3 0, 0.0 -0.999 86.2 -9.8-120.5 132.4 8.7 7.8 26.9 41 40 A F T 3 S- 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 219,-0.0 0.793 131.4 -54.7 52.4 33.8 8.5 4.6 28.9 42 41 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.380 113.5 117.0 85.4 -3.1 11.2 6.0 31.3 43 42 A E E < -E 40 0B 29 -3,-2.4 -3,-2.2 2,-0.0 -1,-0.2 -0.862 68.2-117.9-105.3 131.9 13.7 6.7 28.5 44 43 A P E > -E 39 0B 61 0, 0.0 3,-2.0 0, 0.0 -5,-0.3 -0.252 24.8-118.3 -63.8 145.2 14.8 10.3 27.7 45 44 A L G > S+ 0 0 62 -7,-1.9 3,-1.9 1,-0.3 -6,-0.1 0.819 112.4 65.6 -55.2 -32.1 14.0 11.5 24.2 46 45 A S G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -8,-0.3 -7,-0.1 0.713 100.1 52.5 -65.0 -18.9 17.7 11.8 23.4 47 46 A S G < S+ 0 0 27 -3,-2.0 15,-0.5 2,-0.0 2,-0.4 0.338 99.6 76.9 -96.1 5.1 18.0 8.1 23.8 48 47 A I E < S-D 61 0A 14 -3,-1.9 2,-0.7 13,-0.2 13,-0.2 -0.960 71.3-140.5-121.5 130.5 15.2 7.3 21.3 49 48 A A E -D 60 0A 27 11,-2.8 11,-2.3 -2,-0.4 2,-0.5 -0.840 28.8-166.5 -85.1 115.7 15.3 7.4 17.5 50 49 A I E -D 59 0A 62 -2,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.900 12.0-178.7-112.6 126.6 11.9 8.9 16.6 51 50 A H E -D 58 0A 109 7,-2.8 7,-2.9 -2,-0.5 2,-0.4 -0.987 0.7-177.8-124.0 129.9 10.6 8.8 13.0 52 51 A Q E +D 57 0A 112 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.996 7.4 171.2-130.6 125.4 7.3 10.3 12.1 53 52 A A E > -D 56 0A 41 3,-2.8 3,-2.1 -2,-0.4 -23,-0.1 -0.933 67.3 -53.1-132.8 110.9 5.8 10.2 8.6 54 53 A G T 3 S- 0 0 29 -2,-0.4 61,-0.1 1,-0.3 110,-0.1 -0.404 122.2 -16.7 55.1-132.5 2.2 11.4 8.4 55 54 A E T 3 S+ 0 0 5 61,-0.3 -25,-1.6 108,-0.2 2,-0.5 0.316 118.7 94.3 -88.4 11.8 0.2 9.4 11.0 56 55 A F E < -CD 29 53A 5 -3,-2.1 -3,-2.8 107,-0.2 2,-0.4 -0.895 52.2-177.7-104.8 126.2 2.8 6.8 11.4 57 56 A T E -CD 28 52A 0 -29,-2.7 -29,-2.4 -2,-0.5 2,-0.4 -0.977 4.6-170.4-124.2 135.8 5.2 7.1 14.3 58 57 A Q E -CD 27 51A 38 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.4 -0.985 3.1-166.3-123.7 133.7 8.1 4.8 15.1 59 58 A F E -CD 26 50A 1 -33,-3.0 -33,-2.5 -2,-0.4 2,-0.5 -0.981 1.3-166.7-114.6 133.1 10.3 4.8 18.2 60 59 A R E -CD 25 49A 127 -11,-2.3 -11,-2.8 -2,-0.4 -35,-0.2 -0.966 15.3-153.0-119.9 112.7 13.5 2.8 18.4 61 60 A F E - D 0 48A 3 -37,-3.0 -13,-0.2 -2,-0.5 4,-0.0 -0.396 19.7-125.6 -82.1 160.3 14.8 2.6 21.9 62 61 A S S S+ 0 0 84 -15,-0.5 2,-0.3 -2,-0.1 -1,-0.1 0.240 91.4 36.1 -91.8 10.5 18.5 2.2 22.9 63 62 A K S S- 0 0 112 -39,-0.1 2,-1.1 -40,-0.1 -2,-0.2 -0.971 99.7 -83.0-152.9 165.4 17.8 -0.9 25.0 64 63 A K + 0 0 138 -2,-0.3 -40,-0.2 1,-0.2 -2,-0.1 -0.613 43.8 171.8 -75.1 102.3 15.5 -4.0 25.0 65 64 A M S S+ 0 0 33 -42,-1.9 -1,-0.2 -2,-1.1 -41,-0.2 0.762 80.6 26.6 -78.2 -32.0 12.3 -2.7 26.5 66 65 A R > + 0 0 1 -43,-1.6 3,-2.1 -3,-0.1 -1,-0.2 -0.571 66.9 164.8-131.8 68.8 10.4 -5.9 25.7 67 66 A P T 3 + 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.618 69.3 74.7 -64.6 -11.7 12.9 -8.7 25.6 68 67 A D T 3 S+ 0 0 48 -45,-0.1 2,-0.3 -3,-0.1 195,-0.0 0.616 87.0 83.6 -71.7 -13.3 10.1 -11.2 25.8 69 68 A L S < S- 0 0 9 -3,-2.1 2,-0.3 -60,-0.0 -3,-0.1 -0.699 70.5-138.2 -98.1 144.8 9.3 -10.5 22.1 70 69 A T - 0 0 105 -2,-0.3 2,-0.3 -48,-0.1 -2,-0.1 -0.633 41.3 -99.0 -83.4 151.7 10.6 -11.8 18.9 71 70 A G - 0 0 57 -2,-0.3 2,-0.3 -49,-0.1 -49,-0.2 -0.598 40.1-154.6 -74.3 136.1 11.0 -9.1 16.2 72 71 A M - 0 0 23 -51,-2.4 2,-0.4 -2,-0.3 72,-0.2 -0.732 23.9-100.9-104.1 151.4 8.2 -9.0 13.7 73 72 A V E -f 144 0C 65 70,-0.6 72,-2.4 -2,-0.3 2,-0.6 -0.605 29.7-153.1 -70.5 131.9 8.3 -7.7 10.2 74 73 A L E -f 145 0C 37 -2,-0.4 2,-0.3 70,-0.2 72,-0.2 -0.950 16.1-162.1-104.5 118.8 6.9 -4.2 9.8 75 74 A E - 0 0 25 70,-2.8 2,-1.7 -2,-0.6 89,-0.4 -0.690 28.5-116.4 -97.2 159.0 5.6 -3.8 6.3 76 75 A E S S- 0 0 127 -2,-0.3 70,-0.1 87,-0.1 71,-0.1 -0.557 80.1 -61.9 -92.2 70.9 4.9 -0.5 4.6 77 76 A G - 0 0 5 -2,-1.7 -1,-0.1 69,-0.9 70,-0.1 -0.242 69.4-102.8 73.9-168.3 1.2 -1.3 4.3 78 77 A C - 0 0 11 25,-0.2 27,-0.3 -3,-0.1 3,-0.1 -0.904 37.0 -71.2-146.4 170.8 -0.1 -4.3 2.4 79 78 A P > - 0 0 91 0, 0.0 3,-1.9 0, 0.0 23,-0.2 -0.356 57.6 -91.8 -69.2 148.3 -1.7 -5.2 -0.9 80 79 A E T 3 S+ 0 0 144 1,-0.2 23,-0.2 25,-0.1 24,-0.1 -0.324 114.4 32.7 -47.5 133.7 -5.3 -4.3 -1.7 81 80 A G T 3 S+ 0 0 29 21,-3.2 -1,-0.2 1,-0.3 22,-0.1 0.242 82.3 140.1 98.3 -10.4 -7.5 -7.3 -0.7 82 81 A T < - 0 0 24 -3,-1.9 20,-2.8 20,-0.2 2,-0.6 -0.403 50.1-134.4 -61.3 136.8 -5.3 -8.4 2.3 83 82 A V E +G 101 0C 69 18,-0.2 2,-0.3 -3,-0.1 18,-0.2 -0.883 32.0 179.4 -96.0 119.6 -7.4 -9.4 5.3 84 83 A C E -G 100 0C 0 16,-2.7 16,-2.8 -2,-0.6 2,-0.5 -0.740 24.9-134.6-112.7 159.2 -6.0 -7.9 8.4 85 84 A S E -GH 99 136C 23 51,-2.6 51,-2.7 -2,-0.3 2,-0.6 -0.978 12.2-146.5-108.2 134.6 -7.0 -8.0 12.0 86 85 A V E -GH 98 135C 2 12,-2.6 12,-2.0 -2,-0.5 2,-1.6 -0.904 13.6-146.3 -97.2 118.1 -7.0 -4.8 14.0 87 86 A L E -G 97 0C 1 47,-2.2 2,-0.5 -2,-0.6 48,-0.0 -0.609 25.7-178.2 -92.2 81.6 -6.0 -5.8 17.5 88 87 A I E -G 96 0C 0 -2,-1.6 8,-3.2 8,-0.8 2,-0.4 -0.693 10.3-169.0 -85.6 124.8 -8.0 -3.3 19.5 89 88 A K E -G 95 0C 43 -2,-0.5 2,-0.3 6,-0.2 6,-0.2 -0.923 11.3-146.9-101.8 144.2 -7.8 -3.2 23.3 90 89 A R > - 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