==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JAN-13 4IN1 . COMPND 2 MOLECULE: 3C-LIKE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOROVIRUS HU/1968/US; . AUTHOR B.V.V.PRASAD,Z.MUHAXHIRI,L.DENG,S.SHANKER,B.SANKARAN,M.K.EST . 174 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 37.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 3.4 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 . 15 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 2 1 3 1 2 1 0 1 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 . 1 0 0 1 0 0 1 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 S 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.3 24.5 19.0 1.5 2 1 A A - 0 0 21 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.422 360.0-119.4 -68.7 137.2 26.2 21.3 -1.1 3 2 A P >> - 0 0 52 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.312 29.5-103.3 -71.0 161.8 26.9 19.7 -4.5 4 3 A P H 3> S+ 0 0 110 0, 0.0 4,-2.0 0, 0.0 -2,-0.1 0.848 120.8 57.2 -55.7 -36.8 30.5 19.6 -5.7 5 4 A T H 3> S+ 0 0 89 2,-0.2 4,-0.5 1,-0.2 -3,-0.0 0.878 104.1 52.8 -64.9 -36.0 30.0 22.5 -8.1 6 5 A L H X4 S+ 0 0 3 -3,-0.6 3,-1.5 1,-0.2 4,-0.4 0.951 110.6 46.5 -62.0 -48.8 28.9 24.7 -5.1 7 6 A W H >< S+ 0 0 25 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.851 102.6 66.3 -58.8 -34.1 32.1 23.8 -3.2 8 7 A S H 3< S+ 0 0 40 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.666 91.5 63.0 -64.7 -15.3 34.0 24.5 -6.5 9 8 A R T << S+ 0 0 7 -3,-1.5 11,-1.8 -4,-0.5 2,-0.5 0.655 80.6 94.3 -80.3 -18.0 33.1 28.2 -6.2 10 9 A V E < -A 19 0A 3 -3,-1.8 2,-0.4 -4,-0.4 9,-0.2 -0.688 64.1-173.5 -81.3 126.1 35.0 28.5 -2.9 11 10 A T E -A 18 0A 26 7,-2.9 7,-2.2 -2,-0.5 2,-0.1 -0.974 29.9-115.2-136.7 129.2 38.4 29.7 -3.9 12 11 A K E +A 17 0A 90 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.387 44.0 170.9 -60.2 134.5 41.7 30.3 -2.1 13 12 A F E > -A 16 0A 11 3,-2.6 3,-2.5 1,-0.1 -2,-0.0 -0.893 48.6 -50.1-156.6 118.9 42.4 34.1 -2.1 14 13 A G T 3 S- 0 0 41 -2,-0.3 19,-0.2 1,-0.3 -1,-0.1 -0.289 121.6 -16.8 55.0-130.9 45.1 36.1 -0.4 15 14 A S T 3 S+ 0 0 77 17,-1.6 -1,-0.3 16,-0.1 118,-0.2 0.260 140.8 6.3 -87.8 11.4 45.2 35.2 3.3 16 15 A G E < S-A 13 0A 0 -3,-2.5 -3,-2.6 16,-0.4 2,-0.3 -0.418 90.8 -66.9-151.5-127.5 41.7 33.6 3.1 17 16 A W E -A 12 0A 18 116,-2.3 12,-0.7 -5,-0.3 2,-0.3 -0.878 26.0-163.5-142.1 166.3 39.0 32.6 0.6 18 17 A G E -AB 11 28A 0 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.4 -0.879 16.8-127.1-146.6 179.1 36.5 34.1 -1.8 19 18 A F E -AB 10 27A 0 8,-2.6 8,-2.7 -2,-0.3 2,-0.9 -0.992 10.5-133.6-142.6 126.1 33.4 32.8 -3.7 20 19 A W E + B 0 26A 10 -11,-1.8 6,-0.3 -2,-0.4 -10,-0.0 -0.731 21.9 178.1 -82.2 108.1 32.4 32.9 -7.3 21 20 A V S S- 0 0 9 4,-2.1 51,-1.9 -2,-0.9 -1,-0.2 0.785 71.8 -14.9 -76.3 -29.4 28.8 34.1 -7.4 22 21 A S S S- 0 0 16 3,-1.5 48,-0.1 49,-0.2 -1,-0.1 -0.869 90.1 -73.7-157.4-177.5 28.8 33.9 -11.2 23 22 A P S S+ 0 0 24 0, 0.0 42,-3.1 0, 0.0 43,-1.7 0.741 132.6 23.8 -61.8 -20.8 31.2 33.6 -14.2 24 23 A T S S+ 0 0 33 40,-0.2 37,-3.0 41,-0.2 2,-0.5 0.505 108.1 79.7-121.6 -10.4 32.3 37.2 -13.6 25 24 A V E + C 0 60A 8 35,-0.2 -4,-2.1 41,-0.1 -3,-1.5 -0.907 47.8 175.9-115.4 128.7 31.5 38.1 -10.0 26 25 A F E -BC 20 59A 0 33,-2.2 33,-3.1 -2,-0.5 2,-0.3 -0.985 9.8-162.2-131.0 131.2 33.7 37.1 -7.0 27 26 A I E +BC 19 58A 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.3 -0.898 18.2 153.3-118.9 149.5 33.1 38.1 -3.4 28 27 A T E -BC 18 57A 0 29,-2.6 29,-2.4 -2,-0.3 2,-0.5 -0.921 47.1 -79.2-158.3 178.6 35.5 38.0 -0.5 29 28 A T E >> - C 0 56A 0 -12,-0.7 3,-2.1 -2,-0.3 4,-0.6 -0.813 37.7-132.3 -96.4 128.5 36.3 39.5 2.8 30 29 A T G >4 S+ 0 0 28 25,-2.0 3,-1.6 -2,-0.5 -1,-0.1 0.860 100.5 55.3 -49.6 -47.9 38.1 42.9 2.6 31 30 A H G 34 S+ 0 0 98 1,-0.3 -1,-0.3 24,-0.1 -16,-0.1 0.641 103.7 55.2 -68.2 -11.6 40.9 42.2 5.1 32 31 A V G <4 S+ 0 0 2 -3,-2.1 -17,-1.6 -15,-0.1 -16,-0.4 0.591 77.6 117.0 -93.2 -10.1 42.1 39.0 3.2 33 32 A V S << S- 0 0 33 -3,-1.6 -19,-0.1 -4,-0.6 -3,-0.0 -0.373 74.3-112.3 -63.1 125.4 42.6 40.7 -0.1 34 33 A P - 0 0 40 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.288 33.0-145.6 -60.6 142.7 46.2 40.6 -1.1 35 34 A T + 0 0 129 1,-0.2 3,-0.1 -3,-0.1 -21,-0.0 -0.689 69.5 27.1-106.5 161.7 48.0 44.0 -1.2 36 35 A G S S+ 0 0 89 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.829 87.5 126.3 58.1 36.3 50.7 45.3 -3.4 37 36 A V - 0 0 59 -3,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.831 53.7-149.9-117.3 163.4 49.8 43.2 -6.4 38 37 A K S S+ 0 0 182 -2,-0.3 7,-1.9 1,-0.1 2,-0.3 0.541 77.1 34.9-105.4 -11.8 49.0 44.2 -10.0 39 38 A E E -E 44 0B 102 5,-0.2 2,-0.4 6,-0.1 -1,-0.1 -0.960 54.9-152.1-142.9 154.3 46.6 41.4 -10.9 40 39 A F E > S-E 43 0B 11 3,-2.1 3,-1.9 -2,-0.3 0, 0.0 -0.995 92.1 -12.6-125.0 125.3 43.9 39.1 -9.5 41 40 A F T 3 S- 0 0 76 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.879 132.2 -53.6 52.2 39.0 43.5 35.7 -11.2 42 41 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.512 112.9 120.0 79.2 5.5 45.7 37.0 -14.0 43 42 A E E < -E 40 0B 33 -3,-1.9 -3,-2.1 2,-0.0 -1,-0.2 -0.905 69.3-113.7-109.5 128.2 43.6 40.1 -14.6 44 43 A P E > -E 39 0B 55 0, 0.0 3,-2.1 0, 0.0 -5,-0.2 -0.267 26.1-122.7 -54.7 137.6 45.0 43.6 -14.3 45 44 A L G > S+ 0 0 62 -7,-1.9 3,-1.7 1,-0.3 5,-0.1 0.824 110.8 63.3 -52.1 -33.4 43.3 45.5 -11.4 46 45 A S G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -8,-0.3 -7,-0.1 0.690 97.1 55.5 -68.6 -19.7 42.3 48.2 -13.9 47 46 A S G < S+ 0 0 33 -3,-2.1 15,-0.7 2,-0.0 2,-0.4 0.325 98.8 81.6 -92.7 7.0 40.2 45.7 -15.9 48 47 A I E < S-D 61 0A 16 -3,-1.7 2,-0.9 -4,-0.2 13,-0.2 -0.918 73.1-139.5-116.2 136.5 38.2 44.8 -12.7 49 48 A A E -D 60 0A 44 11,-2.4 11,-1.7 -2,-0.4 2,-0.6 -0.842 28.5-167.1 -91.4 104.1 35.4 46.7 -11.1 50 49 A I E -D 59 0A 73 -2,-0.9 2,-0.5 9,-0.2 9,-0.2 -0.852 6.6-173.8-100.2 118.1 36.3 46.5 -7.4 51 50 A H E -D 58 0A 109 7,-3.1 7,-3.0 -2,-0.6 2,-0.4 -0.928 3.7-177.8-112.7 133.3 33.5 47.4 -4.9 52 51 A Q E +D 57 0A 133 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.991 15.3 169.9-136.6 130.4 34.2 47.6 -1.2 53 52 A A E > -D 56 0A 65 3,-2.9 3,-2.2 -2,-0.4 -23,-0.1 -0.884 69.2 -59.4-138.4 105.0 32.0 48.4 1.7 54 53 A G T 3 S- 0 0 51 -2,-0.4 -1,-0.2 1,-0.3 63,-0.1 -0.372 122.1 -12.2 53.6-130.2 33.6 47.7 5.1 55 54 A E T 3 S+ 0 0 35 61,-0.5 -25,-2.0 -25,-0.1 2,-0.7 0.404 118.0 95.7 -82.1 1.8 34.5 44.0 5.2 56 55 A F E < +CD 29 53A 9 -3,-2.2 -3,-2.9 -27,-0.2 2,-0.4 -0.857 51.5 178.6 -99.3 116.9 32.5 43.2 2.1 57 56 A T E -CD 28 52A 4 -29,-2.4 -29,-2.6 -2,-0.7 2,-0.4 -0.960 4.8-174.8-118.6 133.9 34.5 43.2 -1.2 58 57 A Q E -CD 27 51A 18 -7,-3.0 -7,-3.1 -2,-0.4 2,-0.4 -0.992 6.3-163.1-126.8 135.9 33.1 42.3 -4.6 59 58 A F E -CD 26 50A 1 -33,-3.1 -33,-2.2 -2,-0.4 2,-0.5 -0.953 2.0-168.2-110.8 135.9 35.0 42.0 -7.9 60 59 A R E -CD 25 49A 126 -11,-1.7 -11,-2.4 -2,-0.4 -35,-0.2 -0.968 16.6-152.9-119.1 113.9 33.2 42.1 -11.3 61 60 A F E - D 0 48A 6 -37,-3.0 -13,-0.2 -2,-0.5 4,-0.1 -0.463 16.9-133.9 -81.4 156.4 35.6 41.0 -14.0 62 61 A S S S+ 0 0 92 -15,-0.7 2,-0.3 -2,-0.1 -1,-0.1 0.541 90.3 48.1 -89.0 -6.5 35.2 42.1 -17.6 63 62 A K S S- 0 0 108 -16,-0.1 2,-0.4 -39,-0.1 -2,-0.1 -0.923 100.0 -91.9-127.2 159.8 35.7 38.6 -18.9 64 63 A K + 0 0 150 -2,-0.3 -40,-0.2 1,-0.2 -2,-0.1 -0.542 42.3 171.4 -70.1 119.9 34.2 35.3 -18.0 65 64 A M S S+ 0 0 39 -42,-3.1 -41,-0.2 -2,-0.4 -1,-0.2 0.760 80.2 25.7-101.2 -32.6 36.5 33.7 -15.4 66 65 A R > + 0 0 47 -43,-1.7 3,-2.3 1,-0.1 -1,-0.2 -0.551 66.3 162.0-129.6 67.9 34.2 30.8 -14.4 67 66 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -43,-0.1 0.618 71.1 71.8 -63.8 -11.7 32.0 30.2 -17.5 68 67 A D T 3 S+ 0 0 102 -3,-0.1 2,-0.3 -45,-0.1 -2,-0.0 0.629 88.8 80.7 -74.7 -15.4 31.3 26.7 -16.1 69 68 A L S < S- 0 0 11 -3,-2.3 2,-0.2 -60,-0.0 -3,-0.1 -0.712 71.3-138.4 -99.3 146.0 29.1 28.4 -13.4 70 69 A T - 0 0 104 -2,-0.3 2,-0.1 -48,-0.1 -2,-0.1 -0.642 41.9 -90.5 -86.3 153.8 25.5 29.7 -13.5 71 70 A G - 0 0 58 -2,-0.2 2,-0.3 -49,-0.1 -49,-0.2 -0.416 44.3-154.7 -63.8 140.5 24.7 32.9 -11.8 72 71 A M - 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