==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-99 1C9M . COMPND 2 MOLECULE: SERINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR R.BOTT . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.5 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 . 3 1.1 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-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 . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 1 1 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 2 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 122 0, 0.0 77,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.9 -1.9 -26.9 -31.4 2 2 A Q - 0 0 50 75,-0.2 2,-0.3 73,-0.2 77,-0.2 -0.819 360.0-159.4 -99.4 139.3 -1.7 -27.8 -27.7 3 3 A S - 0 0 60 75,-3.1 77,-0.1 -2,-0.4 74,-0.1 -0.849 13.6-135.2-119.4 154.3 -0.4 -31.1 -26.6 4 4 A V - 0 0 66 -2,-0.3 5,-0.1 75,-0.2 75,-0.1 -0.944 25.5-130.8-105.7 108.5 -1.0 -32.8 -23.3 5 5 A P >> - 0 0 11 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.165 24.2-112.2 -53.7 150.2 2.3 -34.3 -21.8 6 6 A W H 3> S+ 0 0 57 1,-0.2 4,-2.3 192,-0.2 193,-0.1 0.811 115.1 57.1 -57.0 -38.8 2.0 -37.9 -20.8 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.860 102.9 54.8 -60.9 -39.0 2.4 -37.0 -17.0 8 8 A I H <4>S+ 0 0 3 -3,-0.6 5,-1.9 1,-0.2 -1,-0.2 0.907 113.3 40.2 -62.7 -45.8 -0.6 -34.7 -17.1 9 9 A S H ><5S+ 0 0 65 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.875 110.6 60.7 -74.6 -28.0 -2.9 -37.4 -18.5 10 10 A R H 3<5S+ 0 0 70 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.888 107.0 44.6 -59.3 -47.2 -1.2 -40.0 -16.1 11 11 A V T 3<5S- 0 0 0 -4,-2.5 253,-2.7 252,-0.1 254,-0.6 0.408 114.3-122.3 -77.7 -0.3 -2.3 -37.9 -13.1 12 12 A Q T X>5 + 0 0 76 -3,-1.1 4,-1.1 -5,-0.2 3,-0.6 0.815 57.4 152.7 63.8 33.3 -5.8 -37.5 -14.7 13 13 A A H >>< + 0 0 0 -5,-1.9 4,-2.3 1,-0.2 3,-0.7 0.897 67.4 59.3 -55.6 -47.8 -5.7 -33.7 -14.6 14 14 A P H 3> S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.825 98.9 58.4 -56.3 -33.1 -8.1 -33.4 -17.7 15 15 A A H <> S+ 0 0 29 -3,-0.6 4,-0.6 1,-0.2 -2,-0.2 0.885 109.8 45.2 -58.5 -46.1 -10.8 -35.4 -15.8 16 16 A A H X<>S+ 0 0 0 -4,-1.1 5,-2.0 -3,-0.7 3,-1.4 0.908 109.5 53.3 -67.9 -42.9 -10.6 -32.6 -13.1 17 17 A H H ><5S+ 0 0 24 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.835 103.4 59.2 -58.7 -36.0 -10.6 -29.8 -15.8 18 18 A N H 3<5S+ 0 0 144 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.651 102.1 53.1 -65.8 -22.9 -13.8 -31.4 -17.2 19 19 A R T <<5S- 0 0 108 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.284 128.4 -99.7 -89.7 2.8 -15.5 -30.9 -13.8 20 20 A G T < 5S+ 0 0 48 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.590 81.6 134.7 89.6 10.3 -14.5 -27.1 -13.9 21 21 A L < + 0 0 12 -5,-2.0 -1,-0.2 1,-0.2 -2,-0.2 -0.847 6.8 141.1-101.5 112.8 -11.5 -27.5 -11.6 22 22 A T S S- 0 0 30 -2,-0.8 63,-2.7 61,-0.1 64,-0.5 0.305 75.6 -93.9-129.6 2.9 -8.5 -25.7 -13.0 23 23 A G > + 0 0 0 1,-0.2 3,-2.1 203,-0.2 64,-0.4 0.524 62.3 171.6 91.7 8.5 -6.8 -24.2 -9.8 24 24 A S T 3 + 0 0 65 1,-0.3 -1,-0.2 62,-0.2 62,-0.2 -0.208 67.3 12.5 -53.7 127.3 -8.6 -20.9 -10.2 25 25 A G T 3 S+ 0 0 45 60,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.498 97.2 120.9 80.8 8.4 -8.0 -18.7 -7.1 26 26 A V < - 0 0 3 -3,-2.1 61,-3.0 59,-0.2 2,-0.5 -0.916 55.1-143.2-108.7 126.6 -5.2 -20.8 -5.7 27 27 A K E -a 87 0A 61 -2,-0.5 91,-2.3 89,-0.2 92,-1.8 -0.845 18.1-173.5 -95.3 124.1 -1.8 -19.1 -5.3 28 28 A V E -ab 88 119A 0 59,-2.7 61,-2.8 -2,-0.5 2,-0.5 -0.977 9.8-157.2-125.7 122.2 1.2 -21.3 -6.0 29 29 A A E -ab 89 120A 0 90,-2.8 92,-3.1 -2,-0.5 2,-0.7 -0.855 5.2-154.4 -99.0 127.3 4.8 -20.2 -5.4 30 30 A V E -ab 90 121A 1 59,-2.6 61,-2.3 -2,-0.5 2,-0.9 -0.923 7.1-161.4-102.8 103.7 7.5 -21.9 -7.4 31 31 A L E +ab 91 122A 0 90,-2.7 92,-0.6 -2,-0.7 2,-0.2 -0.844 52.2 91.6 -88.9 102.5 10.8 -21.7 -5.3 32 32 A D E S-a 92 0A 0 59,-1.8 61,-2.3 -2,-0.9 62,-2.0 -0.721 94.8 -40.0-159.7-147.7 13.4 -22.4 -8.0 33 33 A T S S- 0 0 0 1,-0.3 26,-0.8 -2,-0.2 27,-0.3 0.334 96.1 -91.4 -79.8 1.5 15.7 -20.6 -10.6 34 34 A G - 0 0 1 57,-0.3 2,-0.4 24,-0.2 -1,-0.3 -0.585 39.4 -90.9 110.0-179.3 12.9 -18.1 -11.5 35 35 A I - 0 0 1 21,-2.6 2,-0.3 -2,-0.2 55,-0.1 -0.967 32.8-140.2-135.1 119.4 10.2 -18.3 -14.2 36 36 A S - 0 0 13 -2,-0.4 21,-0.1 21,-0.3 -2,-0.0 -0.600 31.7 -99.3 -79.3 143.8 10.8 -16.8 -17.7 37 38 A T + 0 0 101 -2,-0.3 169,-0.4 2,-0.0 168,-0.3 -0.339 55.6 171.1 -54.1 137.2 8.1 -14.9 -19.5 38 39 A H > - 0 0 8 3,-0.4 3,-2.0 167,-0.1 5,-0.1 -0.995 46.4-120.5-154.1 143.6 6.5 -17.4 -21.9 39 40 A P T 3 S+ 0 0 70 0, 0.0 38,-0.1 0, 0.0 -1,-0.1 0.763 114.4 50.5 -58.2 -24.7 3.4 -17.4 -24.2 40 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.4 35,-0.0 2,-0.3 0.207 103.7 71.3 -99.6 11.4 2.0 -20.5 -22.3 41 42 A L < - 0 0 15 -3,-2.0 2,-0.5 31,-0.2 -3,-0.4 -0.976 59.6-155.0-126.4 154.9 2.5 -19.1 -18.8 42 43 A N - 0 0 77 -2,-0.3 46,-0.8 29,-0.3 2,-0.6 -0.955 16.8-166.6-126.3 98.4 0.7 -16.4 -16.7 43 44 A I E -c 88 0A 44 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.872 6.2-173.9 -92.8 112.3 3.2 -15.1 -14.0 44 45 A R E - 0 0 111 44,-3.0 2,-0.3 -2,-0.6 45,-0.2 0.680 55.2 -63.2 -82.5 -24.7 1.4 -13.1 -11.4 45 46 A G E +c 89 0A 30 43,-0.8 45,-2.9 2,-0.0 2,-0.3 -0.943 55.1 167.0 166.8-163.5 4.3 -11.9 -9.4 46 47 A G E -c 90 0A 31 43,-0.3 2,-0.3 -2,-0.3 45,-0.2 -0.950 24.9-114.8 148.0-172.5 7.2 -13.0 -7.3 47 48 A A E -c 91 0A 21 43,-1.8 45,-2.7 -2,-0.3 2,-0.4 -0.968 16.3-129.1-155.5 158.8 10.5 -12.0 -5.7 48 49 A S E +c 92 0A 28 -2,-0.3 45,-0.2 6,-0.3 8,-0.1 -0.983 16.7 179.8-118.9 132.2 14.2 -12.9 -6.0 49 50 A F + 0 0 45 43,-3.4 44,-0.1 -2,-0.4 58,-0.1 0.061 55.3 107.1-113.3 17.0 16.3 -13.8 -2.9 50 51 A V S > S- 0 0 22 3,-0.5 3,-1.8 42,-0.2 2,-0.1 -0.910 70.2-135.7-104.3 112.4 19.4 -14.4 -5.1 51 52 A P T 3 S+ 0 0 118 0, 0.0 -2,-0.1 0, 0.0 53,-0.0 -0.467 94.5 27.7 -63.2 134.9 22.0 -11.6 -4.6 52 53 A G T 3 S+ 0 0 82 -2,-0.1 3,-0.1 43,-0.0 0, 0.0 0.391 112.5 69.8 94.7 -12.3 23.2 -10.6 -8.1 53 54 A E < + 0 0 41 -3,-1.8 -3,-0.5 39,-0.1 39,-0.1 -0.612 52.6 166.8-138.7 72.9 20.0 -11.7 -9.9 54 55 A P + 0 0 119 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 0.614 55.6 84.2 -60.6 -24.2 17.4 -9.1 -8.8 55 56 A S S S- 0 0 59 1,-0.1 -5,-0.1 -8,-0.1 -8,-0.1 -0.576 74.2-140.8 -82.0 151.2 15.0 -10.3 -11.6 56 57 A T + 0 0 35 -2,-0.2 -21,-2.6 -8,-0.1 -1,-0.1 0.359 66.7 118.9 -90.1 -1.4 12.6 -13.3 -11.3 57 58 A Q S S- 0 0 71 -23,-0.2 2,-0.7 1,-0.1 -21,-0.3 -0.295 71.2-112.4 -64.6 152.2 13.4 -14.3 -14.9 58 60 A D + 0 0 9 1,-0.1 -24,-0.2 -24,-0.1 -1,-0.1 -0.782 34.3 174.7 -97.7 116.9 14.9 -17.7 -15.2 59 61 A G S S+ 0 0 55 -26,-0.8 -1,-0.1 -2,-0.7 -25,-0.1 0.307 82.8 45.9 -97.0 10.5 18.5 -18.0 -16.4 60 62 A N S S- 0 0 42 -27,-0.3 -1,-0.1 38,-0.0 -26,-0.1 0.768 92.6-131.1-112.1 -54.8 18.6 -21.8 -15.9 61 63 A G S > S+ 0 0 0 -28,-0.1 4,-2.1 -27,-0.1 5,-0.2 -0.065 82.1 95.3 118.2 -26.2 15.4 -23.3 -17.4 62 64 A H H > S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.915 84.1 47.3 -60.2 -48.6 14.4 -25.5 -14.4 63 65 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.894 112.2 49.5 -61.9 -39.9 11.9 -23.1 -12.8 64 66 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 138,-0.3 0.907 112.7 49.0 -64.3 -42.1 10.2 -22.3 -16.1 65 67 A H H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 137,-0.3 0.957 113.2 45.8 -61.0 -55.9 9.9 -26.1 -16.7 66 68 A V H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 3,-0.5 0.939 110.9 54.5 -54.8 -48.4 8.5 -26.8 -13.2 67 69 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.887 105.6 52.6 -53.8 -45.2 6.0 -23.8 -13.6 68 70 A G H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.817 104.1 55.2 -64.9 -31.6 4.6 -25.2 -16.9 69 71 A T H < S+ 0 0 5 -4,-1.6 13,-2.9 -3,-0.5 -1,-0.2 0.900 115.3 40.7 -66.7 -40.7 3.9 -28.6 -15.3 70 72 A I H < S- 0 0 0 -4,-1.6 13,-3.6 11,-0.2 -2,-0.2 0.961 139.0 -0.6 -69.5 -51.6 1.8 -26.8 -12.7 71 73 A A H < + 0 0 2 -4,-2.9 -29,-0.3 10,-0.2 -3,-0.2 0.040 64.8 159.2-143.4 35.4 0.1 -24.2 -14.8 72 74 A A < - 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