==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAY-12 4ASH . COMPND 2 MOLECULE: NS6 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MURINE NOROVIRUS 1; . AUTHOR E.N.LEEN,G.BAEZA,S.CURRY . 353 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 37.1 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 50 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 2 2 2 4 5 3 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 . 0 0 0 1 1 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 S 0 0 126 0, 0.0 3,-0.1 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0 -57.1 -9.4 3.8 35.8 2 1 A A - 0 0 20 1,-0.1 5,-0.1 2,-0.1 95,-0.0 -0.405 360.0 -85.4 -69.6 142.5 -7.2 0.8 36.4 3 2 A P > - 0 0 57 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.121 35.6-125.6 -47.6 139.4 -3.5 1.1 35.4 4 3 A V G > S+ 0 0 121 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.827 106.1 59.8 -58.6 -35.1 -3.0 0.3 31.7 5 4 A S G > S+ 0 0 82 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.654 86.8 76.5 -72.4 -15.1 -0.3 -2.4 32.5 6 5 A I G X S+ 0 0 6 -3,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.807 83.5 66.1 -66.3 -28.9 -2.7 -4.5 34.6 7 6 A W G X S+ 0 0 29 -3,-1.1 3,-1.8 -4,-0.4 -1,-0.2 0.794 86.3 66.3 -67.1 -27.1 -4.5 -5.8 31.5 8 7 A S G < S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.685 93.2 65.5 -69.3 -10.7 -1.5 -7.7 30.2 9 8 A R G < S+ 0 0 13 -3,-1.5 11,-1.8 -4,-0.3 2,-0.6 0.575 84.9 82.7 -80.5 -16.3 -2.0 -9.9 33.4 10 9 A V E < +A 19 0A 0 -3,-1.8 2,-0.3 -4,-0.2 9,-0.2 -0.850 62.1 163.6 -96.6 116.5 -5.4 -11.1 32.0 11 10 A V E -A 18 0A 11 7,-2.0 7,-2.1 -2,-0.6 260,-0.1 -0.941 42.4 -92.7-132.8 155.6 -4.8 -14.0 29.6 12 11 A Q E +A 17 0A 64 -2,-0.3 5,-0.3 5,-0.2 2,-0.3 -0.340 44.3 175.3 -64.8 147.8 -6.9 -16.8 28.0 13 12 A F E > -A 16 0A 11 3,-2.4 3,-2.5 1,-0.1 2,-0.1 -0.859 52.9 -43.6-159.8 119.4 -6.9 -20.0 29.9 14 13 A G T 3 S- 0 0 49 -2,-0.3 19,-0.2 1,-0.3 -1,-0.1 -0.368 124.5 -20.5 57.4-129.1 -8.9 -23.2 29.2 15 14 A T T 3 S+ 0 0 110 17,-2.2 -1,-0.3 -3,-0.1 119,-0.2 0.136 140.2 14.6 -96.9 19.8 -12.4 -22.1 28.3 16 15 A G E < S-A 13 0A 3 -3,-2.5 -3,-2.4 16,-0.3 2,-0.3 -0.422 90.7 -71.8-152.0-130.8 -12.0 -18.7 30.0 17 16 A W E -A 12 0A 16 117,-2.0 12,-0.6 -5,-0.3 2,-0.3 -0.850 27.6-162.4-139.6 167.3 -9.4 -16.4 31.4 18 17 A G E -AB 11 28A 0 -7,-2.1 -7,-2.0 -2,-0.3 2,-0.4 -0.918 13.7-129.6-147.8 179.0 -7.0 -16.1 34.3 19 18 A F E -AB 10 27A 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.9 -0.995 12.3-131.0-140.4 129.2 -5.0 -13.4 36.0 20 19 A W E - B 0 26A 0 -11,-1.8 6,-0.2 -2,-0.4 3,-0.1 -0.725 20.3-179.7 -79.4 105.9 -1.3 -13.1 37.1 21 20 A V S S- 0 0 8 4,-2.0 51,-2.2 -2,-0.9 2,-0.3 0.829 76.5 -16.3 -70.7 -33.0 -1.4 -11.9 40.7 22 21 A S S S- 0 0 16 3,-1.5 3,-0.2 49,-0.2 -1,-0.2 -0.886 85.5 -82.0-152.8-177.7 2.4 -12.0 40.6 23 22 A G S S+ 0 0 5 46,-0.6 42,-2.9 -2,-0.3 43,-1.6 0.692 132.4 36.3 -65.0 -17.2 5.1 -13.4 38.4 24 23 A H S S+ 0 0 64 40,-0.2 37,-2.8 41,-0.2 2,-0.5 0.555 108.2 69.7-106.9 -17.7 4.6 -16.7 40.3 25 24 A V E + C 0 60A 25 35,-0.2 -4,-2.0 -3,-0.2 -3,-1.5 -0.932 49.9 177.8-123.2 124.2 0.8 -16.8 41.0 26 25 A F E -BC 20 59A 0 33,-2.2 33,-3.0 -2,-0.5 2,-0.3 -0.986 9.7-166.7-125.0 125.4 -1.9 -17.3 38.4 27 26 A I E +BC 19 58A 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.3 -0.858 16.4 150.2-115.3 150.2 -5.6 -17.4 39.5 28 27 A T E -BC 18 57A 0 29,-2.3 29,-2.6 -2,-0.3 2,-0.5 -0.927 50.6 -75.2-158.3 178.1 -8.7 -18.6 37.5 29 28 A A E >> - C 0 56A 0 -12,-0.6 3,-1.8 -2,-0.3 4,-1.0 -0.779 37.1-136.9 -85.3 127.0 -12.1 -20.1 37.7 30 29 A K G >4 S+ 0 0 103 25,-2.2 3,-0.9 -2,-0.5 -1,-0.1 0.890 100.5 60.1 -48.7 -42.8 -11.9 -23.8 38.4 31 30 A H G 34 S+ 0 0 106 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.611 107.7 43.4 -70.1 -11.4 -14.6 -24.6 35.9 32 31 A V G <4 S+ 0 0 4 -3,-1.8 -17,-2.2 -15,-0.1 -16,-0.3 0.598 89.6 111.5-102.9 -13.9 -12.7 -23.1 32.9 33 32 A A S << S- 0 0 23 -4,-1.0 3,-0.1 -3,-0.9 -19,-0.1 -0.174 75.2-102.8 -67.9 150.7 -9.3 -24.5 33.7 34 33 A P - 0 0 28 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.286 60.5 -74.1 -58.6 157.6 -7.5 -27.2 31.5 35 34 A P > - 0 0 98 0, 0.0 3,-1.1 0, 0.0 -21,-0.0 -0.212 60.4 -90.4 -58.0 143.2 -7.7 -30.7 33.1 36 35 A K T 3 S+ 0 0 199 1,-0.2 3,-0.1 -3,-0.1 0, 0.0 -0.240 115.7 37.7 -51.5 140.2 -5.4 -31.3 36.0 37 36 A G T 3 S+ 0 0 55 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.606 84.4 136.6 87.4 12.8 -2.0 -32.5 34.8 38 37 A T < - 0 0 52 -3,-1.1 2,-0.3 -4,-0.1 -1,-0.3 -0.758 60.0-116.5 -91.7 137.0 -1.9 -30.3 31.7 39 38 A E - 0 0 113 -2,-0.4 2,-0.4 -3,-0.1 5,-0.2 -0.558 40.7-173.9 -67.2 128.1 1.3 -28.6 30.7 40 39 A I B > -E 43 0B 13 3,-2.0 3,-2.2 -2,-0.3 -27,-0.0 -0.987 57.7 -1.1-131.9 142.4 0.6 -24.8 30.9 41 40 A F T 3 S- 0 0 31 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.817 129.3 -58.7 51.2 33.3 2.7 -21.8 30.0 42 41 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.626 113.6 119.6 76.5 13.4 5.5 -24.2 29.0 43 42 A R B < -E 40 0B 61 -3,-2.2 -3,-2.0 -5,-0.1 -1,-0.2 -0.929 55.1-138.8-115.9 136.0 5.6 -25.7 32.5 44 43 A K > - 0 0 135 -2,-0.4 3,-2.8 -5,-0.2 4,-0.3 -0.556 38.4 -84.4 -88.0 153.2 5.0 -29.3 33.4 45 44 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.291 121.6 43.2 -49.1 138.7 3.0 -30.5 36.4 46 45 A G T 3 S+ 0 0 71 2,-1.2 3,-0.1 -3,-0.1 -2,-0.0 -0.005 97.1 76.7 101.9 -28.7 5.5 -30.6 39.2 47 46 A D S < S+ 0 0 77 -3,-2.8 15,-1.3 1,-0.1 16,-0.4 0.479 108.7 26.7 -85.5 -6.9 7.0 -27.2 38.2 48 47 A F E S-D 61 0A 17 -4,-0.3 -2,-1.2 13,-0.2 2,-0.3 -0.979 72.6-138.8-148.5 158.6 3.9 -25.7 39.8 49 48 A T E -D 60 0A 83 11,-2.2 11,-2.6 -2,-0.3 2,-0.4 -0.869 16.1-149.3-116.8 156.3 1.3 -26.6 42.5 50 49 A V E -D 59 0A 52 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.982 10.5-173.6-129.6 133.7 -2.4 -26.1 42.3 51 50 A T E -D 58 0A 69 7,-2.7 7,-3.0 -2,-0.4 2,-0.3 -0.986 6.4-166.9-124.7 141.6 -4.9 -25.3 45.0 52 51 A S E +D 57 0A 66 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.943 13.2 177.0-126.0 151.2 -8.6 -25.1 44.7 53 52 A S E > S-D 56 0A 25 3,-2.2 3,-2.4 -2,-0.3 2,-0.2 -0.860 70.2 -48.8-151.2 110.4 -11.4 -23.8 46.9 54 53 A G T 3 S- 0 0 31 -2,-0.3 61,-0.2 1,-0.3 63,-0.1 -0.449 124.5 -22.3 57.2-121.9 -14.9 -24.0 45.5 55 54 A D T 3 S+ 0 0 18 61,-0.2 -25,-2.2 -2,-0.2 2,-0.5 0.156 116.5 103.7-103.6 17.1 -14.6 -22.5 42.0 56 55 A F E < -CD 29 53A 4 -3,-2.4 -3,-2.2 -27,-0.2 2,-0.4 -0.879 50.1-172.5 -99.3 129.0 -11.4 -20.6 42.8 57 56 A L E -CD 28 52A 13 -29,-2.6 -29,-2.3 -2,-0.5 2,-0.4 -0.975 4.3-171.3-126.6 131.8 -8.2 -22.1 41.4 58 57 A K E -CD 27 51A 57 -7,-3.0 -7,-2.7 -2,-0.4 2,-0.4 -0.981 5.3-163.2-126.1 130.2 -4.6 -20.9 42.1 59 58 A Y E -CD 26 50A 12 -33,-3.0 -33,-2.2 -2,-0.4 2,-0.5 -0.926 5.2-162.7-107.5 132.5 -1.4 -22.0 40.5 60 59 A Y E -CD 25 49A 99 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.5 -0.975 3.9-158.2-117.6 124.1 1.9 -21.3 42.1 61 60 A F E - D 0 48A 0 -37,-2.8 -13,-0.2 -2,-0.5 4,-0.1 -0.875 12.6-149.3-103.9 122.8 5.1 -21.5 40.0 62 61 A T S S+ 0 0 93 -15,-1.3 2,-0.4 -2,-0.5 -1,-0.1 0.891 92.7 43.5 -53.7 -45.8 8.4 -22.1 41.8 63 62 A S S S- 0 0 75 -16,-0.4 -1,-0.1 -3,-0.1 -16,-0.0 -0.892 106.9-100.4-102.1 136.0 10.2 -20.1 39.1 64 63 A A - 0 0 31 -2,-0.4 -40,-0.2 1,-0.2 -41,-0.1 -0.232 29.1-171.2 -57.8 136.2 8.5 -16.9 37.9 65 64 A V S S+ 0 0 9 -42,-2.9 -41,-0.2 1,-0.2 -1,-0.2 0.776 87.6 30.8 -91.0 -37.6 6.6 -17.2 34.6 66 65 A R > + 0 0 0 -43,-1.6 3,-1.6 1,-0.1 -1,-0.2 -0.680 64.4 165.8-121.0 78.2 6.0 -13.5 34.3 67 66 A P T 3 + 0 0 98 0, 0.0 -44,-0.1 0, 0.0 -1,-0.1 0.675 69.3 75.4 -67.2 -12.6 9.0 -11.7 35.9 68 67 A D T 3 S+ 0 0 84 -3,-0.1 -2,-0.0 -45,-0.1 -45,-0.0 0.475 85.1 76.2 -76.9 -2.2 7.9 -8.5 34.2 69 68 A I S < S- 0 0 17 -3,-1.6 -46,-0.6 -60,-0.0 2,-0.2 -0.913 75.7-130.4-120.2 134.0 5.0 -8.0 36.6 70 69 A P - 0 0 94 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.499 37.8 -97.7 -75.4 148.4 5.1 -6.7 40.2 71 70 A A - 0 0 81 -2,-0.2 2,-0.3 -49,-0.1 -49,-0.2 -0.384 39.3-157.9 -63.7 142.9 3.2 -8.7 42.9 72 71 A M - 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