==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-11 2LNC . COMPND 2 MOLECULE: 3C-LIKE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOROVIRUS; . AUTHOR D.TAKAHASHI,Y.HIROMASA,Y.KIM,A.ANBANANDAM,K.CHANG,O.PRAKASH . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 58.5 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 . 56 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 31 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 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 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 . 0 4 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 M 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.0 292.1 -16.5 -26.5 2 2 A H + 0 0 170 1,-0.0 3,-0.1 4,-0.0 4,-0.0 0.992 360.0 123.0 60.4 80.2 290.4 -13.5 -25.0 3 3 A H + 0 0 159 1,-0.1 2,-0.1 3,-0.0 -1,-0.0 0.563 43.8 83.3-132.8 -46.7 292.0 -13.2 -21.5 4 4 A H S S+ 0 0 183 1,-0.0 -1,-0.1 2,-0.0 -2,-0.0 -0.434 96.3 11.2 -68.6 136.9 293.5 -9.7 -21.2 5 5 A H S S+ 0 0 174 -2,-0.1 2,-0.3 1,-0.1 -1,-0.0 0.836 78.2 173.3 61.1 112.4 291.1 -7.0 -20.2 6 6 A H - 0 0 127 1,-0.0 -1,-0.1 -4,-0.0 -3,-0.0 -0.911 37.7 -69.2-143.3 169.2 287.7 -8.2 -19.0 7 7 A H - 0 0 188 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 -0.256 50.5-126.1 -60.3 146.2 284.5 -7.0 -17.4 8 8 A A - 0 0 45 1,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.689 28.1 -95.8 -97.1 149.8 284.7 -5.8 -13.8 9 9 A P > - 0 0 40 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 -0.449 28.5-154.2 -65.4 124.2 282.5 -7.1 -10.9 10 10 A P H >> S+ 0 0 96 0, 0.0 3,-2.3 0, 0.0 4,-1.5 0.982 93.2 50.4 -62.3 -60.9 279.5 -4.8 -10.4 11 11 A T H 3> S+ 0 0 65 1,-0.3 4,-1.0 2,-0.2 63,-0.0 0.774 105.3 61.8 -49.5 -27.9 278.9 -5.5 -6.7 12 12 A L H 3> S+ 0 0 5 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.816 103.6 47.4 -69.7 -30.9 282.6 -4.9 -6.2 13 13 A W H << S+ 0 0 46 -3,-2.3 3,-0.4 -4,-0.8 -2,-0.2 0.802 108.0 54.9 -79.4 -31.0 282.1 -1.3 -7.4 14 14 A S H < S+ 0 0 73 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.717 93.3 72.5 -74.2 -21.3 279.1 -0.7 -5.2 15 15 A R H < S+ 0 0 12 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.895 79.6 88.1 -60.3 -41.1 281.1 -1.8 -2.1 16 16 A V < - 0 0 12 -4,-0.5 2,-0.3 -3,-0.4 9,-0.2 -0.294 60.5-171.8 -60.4 141.1 283.1 1.5 -2.3 17 17 A T E -A 24 0A 36 7,-1.1 7,-2.1 2,-0.0 2,-0.6 -0.876 21.0-136.7-144.1 109.3 281.5 4.4 -0.3 18 18 A K E +A 23 0A 116 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.489 33.9 176.4 -66.3 111.4 282.7 8.0 -0.4 19 19 A F E > -A 22 0A 37 3,-1.6 3,-2.1 -2,-0.6 2,-0.2 -0.953 51.0 -37.9-122.2 139.2 282.6 9.2 3.2 20 20 A G T 3 S- 0 0 33 -2,-0.4 19,-0.2 1,-0.3 18,-0.1 -0.298 128.0 -18.7 53.2-112.6 283.7 12.5 4.6 21 21 A S T 3 S+ 0 0 74 17,-2.4 125,-0.5 -2,-0.2 2,-0.3 -0.180 133.0 32.5-117.4 37.6 286.8 13.4 2.6 22 22 A G E < S-A 19 0A 0 -3,-2.1 -3,-1.6 16,-0.2 2,-0.4 -0.920 78.7 -95.9-166.5-169.9 287.6 10.0 1.3 23 23 A W E -A 18 0A 26 123,-2.0 -5,-0.3 -5,-0.3 12,-0.2 -0.983 30.4-177.0-131.1 141.2 286.3 6.6 0.2 24 24 A G E -A 17 0A 0 -7,-2.1 -7,-1.1 -2,-0.4 2,-0.3 -0.338 16.0-124.0-117.8-160.2 285.9 3.3 2.0 25 25 A F E -B 33 0B 0 8,-0.9 8,-1.9 -9,-0.2 2,-1.2 -0.994 20.3-113.3-151.6 153.2 284.8 -0.2 1.4 26 26 A W E + 0 0 12 -2,-0.3 6,-0.2 6,-0.2 52,-0.2 -0.712 29.1 179.0 -91.2 90.5 282.2 -2.8 2.6 27 27 A V E - 0 0 25 -2,-1.2 51,-1.4 1,-0.2 5,-0.2 0.826 68.6 -31.3 -59.0 -32.4 284.4 -5.5 4.3 28 28 A S E > S-B 31 0B 31 3,-2.4 3,-0.9 49,-0.2 -1,-0.2 -0.974 78.5 -70.1-172.5 175.7 281.2 -7.3 5.2 29 29 A P T 3 S+ 0 0 29 0, 0.0 42,-1.1 0, 0.0 43,-1.0 0.880 135.7 15.0 -46.6 -47.5 277.5 -7.0 6.1 30 30 A T T 3 S+ 0 0 15 40,-0.3 37,-2.4 41,-0.1 2,-0.4 0.164 119.4 83.5-114.8 15.1 278.4 -5.5 9.5 31 31 A V E < +BC 28 66B 32 -3,-0.9 -3,-2.4 35,-0.2 2,-0.3 -0.949 49.1 166.0-123.8 142.5 282.0 -4.7 8.7 32 32 A F E - C 0 65B 14 33,-2.8 33,-2.6 -2,-0.4 2,-0.3 -0.949 19.4-141.6-147.3 165.5 283.5 -1.7 7.0 33 33 A I E +BC 25 64B 2 -8,-1.9 -8,-0.9 -2,-0.3 2,-0.3 -0.896 21.1 159.8-130.4 159.9 286.9 0.0 6.5 34 34 A T E - C 0 63B 5 29,-1.1 29,-2.3 -2,-0.3 -10,-0.1 -0.946 31.9-112.5-173.8 154.0 288.1 3.6 6.3 35 35 A T - 0 0 0 -2,-0.3 4,-0.4 -12,-0.2 27,-0.1 -0.152 24.4-123.0 -84.2-177.7 291.3 5.8 6.6 36 36 A T S S+ 0 0 66 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.828 107.2 48.5 -96.3 -41.4 292.1 8.3 9.3 37 37 A H S S+ 0 0 87 1,-0.2 -1,-0.1 128,-0.1 -16,-0.1 0.675 109.7 56.6 -73.2 -17.3 292.6 11.5 7.2 38 38 A V S S+ 0 0 1 -18,-0.1 -17,-2.4 -15,-0.1 -1,-0.2 0.831 80.7 100.0 -82.1 -35.4 289.4 10.8 5.4 39 39 A V - 0 0 60 -4,-0.4 -19,-0.1 -19,-0.2 -5,-0.0 -0.335 63.7-155.6 -56.0 119.8 287.2 10.7 8.5 40 40 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.038 13.6-116.8 -83.5-164.6 285.4 14.1 8.8 41 41 A T S S+ 0 0 147 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.748 86.9 51.2-143.3 91.6 284.0 15.8 11.9 42 42 A G S S+ 0 0 74 1,-0.5 2,-0.2 -2,-0.3 -1,-0.0 0.152 80.1 88.7 174.1 -34.7 280.3 16.4 12.0 43 43 A V - 0 0 79 1,-0.1 -1,-0.5 2,-0.0 3,-0.1 -0.542 43.0-172.8 -86.7 152.8 278.4 13.2 11.3 44 44 A K + 0 0 140 -2,-0.2 7,-1.4 1,-0.1 8,-0.3 -0.062 66.4 40.1-134.5 32.4 277.4 10.7 14.0 45 45 A E E -E 50 0C 82 5,-0.3 2,-0.4 6,-0.1 -1,-0.1 -0.919 61.0-143.1-174.7 150.3 276.1 7.9 11.9 46 46 A F E > S-E 49 0C 28 3,-1.3 3,-0.6 -2,-0.3 -27,-0.0 -0.983 82.3 -20.1-126.5 133.8 276.7 5.9 8.7 47 47 A F T 3 S- 0 0 134 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.795 135.0 -44.6 39.5 35.1 274.0 4.5 6.4 48 48 A G T 3 S+ 0 0 65 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.864 112.0 124.8 80.9 38.6 271.7 4.9 9.4 49 49 A E E < -E 46 0C 14 -3,-0.6 -3,-1.3 19,-0.0 -1,-0.1 -0.785 53.4-142.2-133.2 90.0 274.1 3.4 12.0 50 50 A P E > -E 45 0C 61 0, 0.0 3,-2.2 0, 0.0 -5,-0.3 -0.144 19.4-123.5 -50.6 140.4 274.7 5.7 15.0 51 51 A L G > S+ 0 0 69 -7,-1.4 3,-2.3 1,-0.3 -6,-0.1 0.773 105.4 80.3 -56.9 -26.8 278.3 5.6 16.3 52 52 A S G 3 S+ 0 0 125 -8,-0.3 -1,-0.3 1,-0.3 -7,-0.1 0.743 101.3 37.5 -53.3 -23.5 276.8 4.7 19.7 53 53 A S G < S+ 0 0 65 -3,-2.2 15,-1.8 2,-0.0 -1,-0.3 -0.196 105.2 90.5-122.9 40.6 276.5 1.2 18.2 54 54 A I E < -D 67 0B 24 -3,-2.3 2,-0.4 13,-0.2 13,-0.2 -0.923 60.8-139.3-133.9 158.4 279.8 1.0 16.3 55 55 A A E -D 66 0B 46 11,-1.7 11,-2.2 -2,-0.3 2,-0.4 -0.960 12.4-164.6-123.0 138.1 283.4 0.0 16.9 56 56 A I + 0 0 89 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.960 9.5 175.8-123.8 139.0 286.6 1.7 15.8 57 57 A H - 0 0 140 7,-0.4 7,-1.5 -2,-0.4 8,-0.0 -0.806 14.3-157.5-145.3 99.3 290.1 0.4 15.7 58 58 A Q + 0 0 153 -2,-0.3 5,-0.2 5,-0.2 -23,-0.1 -0.322 18.5 164.9 -73.2 157.9 292.9 2.4 14.3 59 59 A A S S- 0 0 38 -2,-0.0 121,-0.1 120,-0.0 -1,-0.0 -0.277 70.5 -40.6-175.3 77.3 296.2 0.8 13.0 60 60 A G S S- 0 0 36 1,-0.2 118,-0.1 56,-0.1 3,-0.1 0.994 126.5 -30.8 59.5 70.2 298.5 2.9 10.8 61 61 A E S S+ 0 0 54 1,-0.1 2,-0.4 116,-0.1 -1,-0.2 0.808 121.3 110.4 59.6 30.2 296.0 4.7 8.6 62 62 A F - 0 0 3 -27,-0.1 2,-0.4 100,-0.0 -27,-0.2 -0.851 46.2-174.6-140.6 101.5 293.7 1.7 9.0 63 63 A T E -C 34 0B 7 -29,-2.3 -29,-1.1 -2,-0.4 2,-0.7 -0.817 18.2-140.2 -99.8 134.0 290.5 2.0 11.0 64 64 A Q E -C 33 0B 67 -7,-1.5 2,-0.7 -2,-0.4 -7,-0.4 -0.826 13.1-156.9 -96.2 113.7 288.3 -1.1 11.6 65 65 A F E +C 32 0B 10 -33,-2.6 -33,-2.8 -2,-0.7 2,-0.6 -0.808 13.3 179.3 -94.3 113.3 284.6 -0.3 11.3 66 66 A R E -CD 31 55B 162 -11,-2.2 -11,-1.7 -2,-0.7 -35,-0.2 -0.907 12.0-157.5-117.8 103.9 282.4 -2.8 13.2 67 67 A F E - D 0 54B 5 -37,-2.4 -13,-0.2 -2,-0.6 -16,-0.1 -0.465 20.3-132.9 -78.7 150.4 278.7 -2.1 13.1 68 68 A S S S+ 0 0 91 -15,-1.8 2,-0.3 -2,-0.1 -1,-0.1 0.765 93.1 38.0 -72.1 -25.6 276.3 -3.4 15.7 69 69 A K S S- 0 0 144 -16,-0.2 2,-1.0 -40,-0.1 3,-0.1 -0.914 84.3-118.8-127.4 154.0 274.0 -4.6 13.0 70 70 A K - 0 0 130 -2,-0.3 -40,-0.3 1,-0.2 -2,-0.0 -0.787 23.7-176.5 -95.0 99.6 274.5 -6.2 9.6 71 71 A M - 0 0 78 -42,-1.1 -1,-0.2 -2,-1.0 -41,-0.1 0.910 8.6-176.1 -59.7 -43.7 273.0 -3.9 7.0 72 72 A R + 0 0 182 -43,-1.0 -42,-0.1 -3,-0.1 -2,-0.1 0.906 13.6 164.2 43.5 55.2 273.8 -6.3 4.2 73 73 A P S S- 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.850 81.5 -26.6 -68.5 -35.3 272.5 -3.9 1.5 74 74 A D S S+ 0 0 75 -63,-0.0 2,-0.2 -45,-0.0 -60,-0.1 0.090 114.5 97.9-171.9 35.2 274.2 -5.8 -1.3 75 75 A L + 0 0 15 1,-0.1 -48,-0.1 -61,-0.0 -47,-0.0 -0.490 33.9 176.8-118.6-170.7 277.2 -7.6 0.2 76 76 A T - 0 0 124 -2,-0.2 -1,-0.1 -49,-0.1 2,-0.1 0.267 66.8 -45.3-161.9 -44.7 278.1 -11.1 1.4 77 77 A G - 0 0 44 -51,-0.1 -49,-0.2 -49,-0.1 2,-0.1 -0.172 49.8-160.3 155.7 106.7 281.7 -11.3 2.5 78 78 A M - 0 0 37 -51,-1.4 2,-0.4 -52,-0.2 81,-0.1 -0.463 23.4-112.7 -96.0 170.1 284.9 -10.1 0.8 79 79 A V - 0 0 82 79,-0.5 81,-2.4 -2,-0.1 2,-0.5 -0.845 18.5-145.1-107.3 141.6 288.5 -11.2 1.3 80 80 A L B -f 160 0D 34 -2,-0.4 2,-0.7 79,-0.2 81,-0.2 -0.916 7.1-159.3-109.1 121.8 291.3 -9.1 2.8 81 81 A E - 0 0 48 79,-2.6 2,-2.7 -2,-0.5 98,-0.1 -0.864 14.0-143.0-103.5 107.6 294.8 -9.5 1.5 82 82 A E S S- 0 0 85 -2,-0.7 2,-0.2 96,-0.1 96,-0.1 -0.387 71.2 -46.2 -67.6 75.1 297.4 -8.2 4.0 83 83 A G S S- 0 0 1 -2,-2.7 25,-0.0 78,-0.2 27,-0.0 -0.583 71.6-102.4 97.8-161.8 299.7 -6.8 1.3 84 84 A C - 0 0 8 -2,-0.2 3,-0.1 25,-0.0 4,-0.1 -0.977 21.7-107.7-164.7 153.8 300.9 -8.4 -1.9 85 85 A P > - 0 0 85 0, 0.0 2,-0.8 0, 0.0 3,-0.7 0.131 58.2 -65.1 -71.2-168.1 303.9 -10.2 -3.5 86 86 A E T 3 S+ 0 0 141 1,-0.2 23,-0.1 21,-0.0 24,-0.1 -0.755 121.7 26.1 -88.6 108.8 306.2 -8.7 -6.2 87 87 A G T 3 S+ 0 0 47 -2,-0.8 2,-0.7 21,-0.7 -1,-0.2 0.667 77.7 147.7 113.0 28.1 304.3 -8.2 -9.4 88 88 A T < - 0 0 21 -3,-0.7 20,-2.6 20,-0.2 2,-0.8 -0.853 35.6-151.3 -99.6 115.4 300.8 -7.7 -8.2 89 89 A V E -G 107 0D 89 -2,-0.7 64,-0.3 18,-0.2 2,-0.2 -0.755 19.3-172.9 -89.2 108.1 298.7 -5.4 -10.3 90 90 A C E -G 106 0D 1 16,-2.6 16,-2.3 -2,-0.8 2,-0.4 -0.609 9.0-152.9 -98.5 160.1 296.1 -3.7 -8.1 91 91 A S E -GH 105 151D 29 60,-2.5 60,-2.2 14,-0.2 14,-0.2 -0.998 5.6-144.3-137.2 133.6 293.2 -1.4 -9.2 92 92 A V E -GH 104 150D 0 12,-1.3 2,-0.7 -2,-0.4 12,-0.6 -0.577 13.8-130.7 -93.9 157.9 291.4 1.3 -7.3 93 93 A L E +G 103 0D 4 56,-1.2 2,-0.8 -2,-0.2 8,-0.0 -0.856 26.1 177.8-112.8 97.3 287.7 2.2 -7.5 94 94 A I E -G 102 0D 7 -2,-0.7 8,-3.5 8,-0.6 2,-0.3 -0.838 8.8-170.7-103.1 101.2 287.2 5.9 -8.1 95 95 A K - 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